| 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 | 40.7 | Very low | 34.6 | Very low | 237 Ų | 237 | 128.3 Ų | 128.3 | 100% | 1.167 | 81% | 0.805 | S | S | * | * | 0 | 81.8 | 0 | -55.5 | 176.8 | -170.6 | 0 | 0 | 104.8 | |||||
| 2 | A | 33 | Very low | 34.3 | Very low | 77 Ų | 77 | 131.1 Ų | 131.1 | 64% | 0.636 | 81% | 0.81 | S | S | * | * | cis | 63 | 133.9 | 23.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 3 | D | 34.7 | Very low | 34.7 | Very low | 159 Ų | 159 | 128.6 Ų | 128.6 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | cis | -169.7 | 163.6 | -12.8 | -102.1 | -34.6 | 0 | 0 | 0 | 109.7 | ||||
| 4 | G | 34.1 | Very low | 34.8 | Very low | 77 Ų | 77 | 131.4 Ų | 131.4 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | 72.9 | 158.7 | 157.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 5 | D | 39.8 | Very low | 34.7 | Very low | 158 Ų | 158 | 130.4 Ų | 130.4 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | cis | -176.7 | 176.7 | 3.9 | -163.7 | -5.2 | 0 | 0 | 0 | 106.6 | ||||
| 6 | D | 37.4 | Very low | 34.7 | Very low | 162 Ų | 162 | 129.1 Ų | 129.1 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | trans | -80.8 | 163 | -166.8 | -75.3 | -44.9 | 0 | 0 | 0 | 117.2 | ||||
| 7 | G | 34.3 | Very low | 34.5 | Very low | 73 Ų | 73 | 128.3 Ų | 128.3 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -149.1 | 34.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 8 | N | 33.2 | Very low | 34.5 | Very low | 143 Ų | 143 | 126.7 Ų | 126.7 | 77% | 0.765 | 78% | 0.784 | S | S | * | * | trans | -28.3 | 129 | 172.4 | 169.1 | 33.6 | 0 | 0 | 0 | 118.5 | ||||
| 9 | T | 33.8 | Very low | 34.5 | Very low | 123 Ų | 123 | 128.3 Ų | 128.3 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -159.6 | 108.5 | 144.1 | 14.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 10 | T | 29.7 | Very low | 34.5 | Very low | 114 Ų | 114 | 128.9 Ų | 128.9 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | 40.1 | 130.8 | 127.8 | 62.9 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 11 | A | 29.9 | Very low | 34.4 | Very low | 88 Ų | 88 | 126.2 Ų | 126.2 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | 154.5 | 99.5 | 100.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 12 | D | 31.1 | Very low | 33.9 | Very low | 162 Ų | 162 | 121.5 Ų | 121.5 | 87% | 0.866 | 76% | 0.756 | S | S | * | * | 68.8 | 160.8 | 120.6 | -94.7 | 29.3 | 0 | 0 | 0 | 122.9 | |||||
| 13 | P | 39.3 | Very low | 33.8 | Very low | 99 Ų | 99 | 121.8 Ų | 121.8 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | -138.3 | -161.7 | -123.4 | 43.5 | -23.6 | 0 | 0 | 0 | 114.2 | |||||
| 14 | L | 36.2 | Very low | 33.7 | Very low | 168 Ų | 168 | 122 Ų | 122 | 88% | 0.88 | 76% | 0.759 | S | S | * | * | trans | -164.6 | 152.9 | 138 | -108.1 | 163.8 | 0 | 0 | 0 | 112.9 | ||||
| 15 | V | 33.8 | Very low | 33.5 | Very low | 116 Ų | 116 | 122.3 Ų | 122.3 | 70% | 0.703 | 75% | 0.754 | S | S | * | * | trans | -151.7 | 142.9 | -170.7 | 169.5 | 0 | 0 | 0 | 0 | 110.5 | T17 | V15-T17 HydrophobicContact CG1-CG2 4.12Š| ||
| 16 | S | 33.9 | Very low | 33.1 | Very low | 109 Ų | 109 | 120.6 Ų | 120.6 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | trans | -152.5 | 136.8 | 154.6 | -69.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 17 | T | 32 | Very low | 32.8 | Very low | 116 Ų | 116 | 119.7 Ų | 119.7 | 71% | 0.712 | 74% | 0.744 | S | S | * | * | cis | 99.1 | 136.5 | 17.9 | 67.5 | 0 | 0 | 0 | 0 | 116.7 | V15 | V15-T17 HydrophobicContact CG1-CG2 4.12Š| ||
| 18 | S | 34.8 | Very low | 32.6 | Very low | 99 Ų | 99 | 121.1 Ų | 121.1 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | trans | 124.6 | 147 | 161.4 | -74.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 19 | E | 33.4 | Very low | 32.4 | Very low | 157 Ų | 157 | 122.2 Ų | 122.2 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | cis | -175.4 | 166.3 | -14.3 | -112.6 | 170.8 | 100.5 | 0 | 0 | 107.2 | ||||
| 20 | L | 35.1 | Very low | 32.5 | Very low | 141 Ų | 141 | 122.2 Ų | 122.2 | 74% | 0.738 | 74% | 0.738 | S | S | * | * | cis | -142.4 | 155.1 | -0.5 | -91.9 | 153.1 | 0 | 0 | 0 | 106 | ||||
| 21 | A | 31.8 | Very low | 32.5 | Very low | 73 Ų | 73 | 122.5 Ų | 122.5 | 60% | 0.603 | 74% | 0.74 | S | S | * | * | 67.5 | 140.8 | 65.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 22 | T | 30.8 | Very low | 32.8 | Very low | 138 Ų | 138 | 123 Ų | 123 | 85% | 0.847 | 74% | 0.737 | S | S | * | * | cis | -169.4 | 175.5 | -3.9 | 9.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 23 | A | 31.8 | Very low | 32.7 | Very low | 82 Ų | 82 | 122.1 Ų | 122.1 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | trans | 82.2 | 130.6 | 168 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 24 | N | 31.4 | Very low | 32.3 | Very low | 163 Ų | 163 | 123.3 Ų | 123.3 | 87% | 0.872 | 73% | 0.73 | S | S | * | * | cis | 76.9 | 131.5 | 42.6 | -60.8 | -6.6 | 0 | 0 | 0 | 112.1 | ||||
| 25 | A | 30.2 | Very low | 31.9 | Very low | 84 Ų | 84 | 124.8 Ų | 124.8 | 69% | 0.694 | 72% | 0.724 | S | S | * | * | cis | -158.8 | 155.5 | 9.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 26 | V | 31.7 | Very low | 31.9 | Very low | 122 Ų | 122 | 124.1 Ų | 124.1 | 74% | 0.739 | 72% | 0.72 | S | S | * | * | 64.7 | 122.3 | 126.2 | 170.1 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 27 | D | 31.4 | Very low | 31.8 | Very low | 143 Ų | 143 | 125.4 Ų | 125.4 | 77% | 0.765 | 72% | 0.719 | S | S | * | * | trans | 68.4 | 151 | 145.7 | -63.6 | -3.7 | 0 | 0 | 0 | 125.8 | ||||
| 28 | S | 29.7 | Very low | 31.8 | Very low | 103 Ų | 103 | 125.3 Ų | 125.3 | 72% | 0.72 | 72% | 0.718 | S | S | * | * | trans | 91.3 | 100.7 | 150.9 | 68.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 29 | E | 29.7 | Very low | 31.6 | Very low | 166 Ų | 166 | 126.6 Ų | 126.6 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | 75.3 | 146.3 | 120.9 | -67.9 | -170 | -164.9 | 0 | 0 | 124.3 | |||||
| 30 | N | 33.9 | Very low | 31.4 | Very low | 123 Ų | 123 | 125.2 Ų | 125.2 | 66% | 0.658 | 72% | 0.724 | S | S | * | * | trans | 71.7 | 79.3 | 150.6 | -58.1 | -32 | 0 | 0 | 0 | 120.7 | ||||
| 31 | T | 30.3 | Very low | 31 | Very low | 120 Ų | 120 | 128.7 Ų | 128.7 | 74% | 0.736 | 73% | 0.727 | S | S | * | * | 29.6 | 137.8 | 86.7 | -33.1 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 32 | P | 36.8 | Very low | 30.8 | Very low | 100 Ų | 100 | 132.5 Ų | 132.5 | 65% | 0.649 | 73% | 0.733 | S | S | * | * | cis | -143.4 | -164 | -13.1 | 34.2 | -10.2 | 0 | 0 | 0 | 116.1 | ||||
| 33 | L | 29 | Very low | 30.8 | Very low | 142 Ų | 142 | 132 Ų | 132 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | trans | 97.8 | 113.7 | 131 | -119.3 | 63.5 | 0 | 0 | 0 | 121.7 | ||||
| 34 | I | 29.9 | Very low | 30.8 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | 69.2 | 136.5 | 127.9 | -77.6 | -172.5 | 0 | 0 | 0 | 118.8 | |||||
| 35 | R | 29 | Very low | 31.1 | Very low | 200 Ų | 200 | 132.8 Ų | 132.8 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | cis | -162.2 | 162.3 | 3.8 | -125.9 | -173.3 | -177.9 | 125.1 | -2.8 | 111.4 | ||||
| 36 | T | 33.1 | Very low | 31.5 | Very low | 101 Ų | 101 | 134 Ų | 134 | 62% | 0.62 | 74% | 0.735 | S | S | * | * | trans | 43.1 | 133.2 | 148.8 | 57.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 37 | D | 32.7 | Very low | 31.8 | Very low | 137 Ų | 137 | 137.8 Ų | 137.8 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | cis | -167.9 | -167 | 1.7 | -98.8 | -23.7 | 0 | 0 | 0 | 107.1 | ||||
| 38 | T | 30.9 | Very low | 32 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | cis | -163.3 | 159.2 | 21.2 | -23.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 39 | T | 30.3 | Very low | 32.4 | Very low | 126 Ų | 126 | 140.2 Ų | 140.2 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | trans | 72.3 | 139.8 | 158.3 | 67.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 40 | V | 29.6 | Very low | 32.6 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | trans | 85 | 102.8 | 159.5 | -161.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 41 | R | 27.2 | Very low | 32.8 | Very low | 213 Ų | 213 | 140.7 Ų | 140.7 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | 77.6 | 132.6 | 151.6 | -91.9 | -175.9 | 145.7 | 107.3 | 2 | 123 | ||||
| 42 | E | 28.5 | Very low | 33.2 | Very low | 154 Ų | 154 | 140.7 Ų | 140.7 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | trans | 68.5 | 99.4 | 145.5 | -70.6 | 168 | -147.7 | 0 | 0 | 120.6 | ||||
| 43 | P | 30.1 | Very low | 33.4 | Very low | 128 Ų | 128 | 143.6 Ų | 143.6 | 83% | 0.831 | 76% | 0.761 | S | S | * | * | trans | -116.9 | 149.3 | 161.1 | 37.7 | -27 | 0 | 0 | 0 | 114 | ||||
| 44 | T | 32.2 | Very low | 33.6 | Very low | 125 Ų | 125 | 142.5 Ų | 142.5 | 77% | 0.767 | 76% | 0.756 | S | S | * | * | trans | -105.3 | 136.1 | 173.6 | 44 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 45 | T | 37 | Very low | 33.9 | Very low | 136 Ų | 136 | 143.7 Ų | 143.7 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | trans | 60 | 172.9 | 164.8 | 53.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 46 | P | 39.8 | Very low | 34.3 | Very low | 109 Ų | 109 | 141.5 Ų | 141.5 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | cis | -118.8 | -176.5 | -8.1 | 42.1 | -29.3 | 0 | 0 | 0 | 113 | ||||
| 47 | F | 37.7 | Very low | 34.4 | Very low | 201 Ų | 201 | 141.9 Ų | 141.9 | 88% | 0.882 | 77% | 0.773 | S | S | * | * | trans | -154.6 | 130.4 | 146.2 | -112.7 | -79.4 | 0 | 0 | 0 | 108.9 | ||||
| 48 | D | 34.2 | Very low | 34.7 | Very low | 131 Ų | 131 | 141.4 Ų | 141.4 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | -82.1 | 146.9 | 158.6 | -73.2 | -62.5 | 0 | 0 | 0 | 108.6 | ||||
| 49 | D | 39.3 | Very low | 34.8 | Very low | 167 Ų | 167 | 140.2 Ų | 140.2 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | trans | -144.7 | 131.9 | 141.2 | -98 | -38.5 | 0 | 0 | 0 | 106.5 | ||||
| 50 | N | 33.3 | Very low | 34.8 | Very low | 136 Ų | 136 | 141 Ų | 141 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -97.1 | 151.1 | 179.3 | -67.3 | -94.9 | 0 | 0 | 0 | 109 | ||||
| 51 | D | 38.3 | Very low | 34.9 | Very low | 162 Ų | 162 | 142.9 Ų | 142.9 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | trans | -156.8 | 142.2 | 142 | -99.4 | -25 | 0 | 0 | 0 | 109.7 | ||||
| 52 | D | 38.3 | Very low | 35.1 | Very low | 121 Ų | 121 | 137.6 Ų | 137.6 | 65% | 0.647 | 79% | 0.79 | S | S | * | * | trans | -43.3 | 164.2 | 176.7 | -75.1 | -59 | 0 | 0 | 0 | 116.2 | N54 | D52-N54 PolarHBondContact OD1-ND2 2.76Š| ||
| 53 | D | 40.4 | Very low | 35.2 | Very low | 161 Ų | 161 | 136.7 Ų | 136.7 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | cis | -134.9 | 163.8 | 39.9 | -92.7 | -55.3 | 0 | 0 | 0 | 116.7 | ||||
| 54 | N | 34.3 | Very low | 35.4 | Very low | 119 Ų | 119 | 136 Ų | 136 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | trans | -87.8 | 159.9 | -175.9 | -63.7 | -92.4 | 0 | 0 | 0 | 113 | D52 | D52-N54 PolarHBondContact OD1-ND2 2.76Š| ||
| 55 | D | 36.7 | Very low | 35.2 | Very low | 149 Ų | 149 | 134.2 Ų | 134.2 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | -176 | 143.9 | 105.3 | -97.1 | -10.8 | 0 | 0 | 0 | 115 | |||||
| 56 | D | 36.1 | Very low | 34.8 | Very low | 153 Ų | 153 | 132.8 Ų | 132.8 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | 53.4 | 85.9 | 156.6 | -72.3 | -6.5 | 0 | 0 | 0 | 122.2 | ||||
| 57 | S | 35.4 | Very low | 34.2 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | -52.9 | 172.8 | 127.2 | -93.8 | 0 | 0 | 0 | 0 | 113 | |||||
| 58 | P | 39.1 | Very low | 33.8 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | cis | -141.3 | 177.5 | 28.4 | 41.5 | -21.5 | 0 | 0 | 0 | 117.8 | ||||
| 59 | A | 32.4 | Very low | 33.7 | Very low | 90 Ų | 90 | 130.1 Ų | 130.1 | 74% | 0.744 | 80% | 0.797 | S | S | * | * | trans | -87.7 | 160.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 60 | V | 32.1 | Very low | 33.3 | Very low | 143 Ų | 143 | 125.7 Ų | 125.7 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | -133.5 | 140.7 | 158.4 | 178.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 61 | L | 29.9 | Very low | 33.7 | Very low | 166 Ų | 166 | 122.7 Ų | 122.7 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | trans | -82.3 | 145.7 | -173.8 | -66.4 | 79.7 | 0 | 0 | 0 | 113 | ||||
| 62 | A | 32.1 | Very low | 34.1 | Very low | 102 Ų | 102 | 119.3 Ų | 119.3 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | trans | -151.1 | 120.2 | 151.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 63 | T | 31.4 | Very low | 34.8 | Very low | 135 Ų | 135 | 121.6 Ų | 121.6 | 83% | 0.828 | 77% | 0.77 | S | S | * | * | trans | -92.6 | 176.6 | 159.7 | 47.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 64 | P | 33.8 | Very low | 35.6 | Very low | 114 Ų | 114 | 117.4 Ų | 117.4 | 74% | 0.74 | 75% | 0.745 | S | S | * | * | cis | -138.2 | -177.5 | 7.6 | 44.4 | -26.9 | 0 | 0 | 0 | 116.3 | ||||
| 65 | A | 27 | Very low | 36.7 | Very low | 87 Ų | 87 | 118 Ų | 118 | 72% | 0.719 | 74% | 0.744 | S | S | * | * | trans | 55.7 | 132.2 | 140.9 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 66 | S | 28.9 | Very low | 37.7 | Very low | 107 Ų | 107 | 115.3 Ų | 115.3 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | trans | 75.4 | 149.6 | 143.3 | 80.7 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 67 | N | 28.5 | Very low | 39.4 | Very low | 151 Ų | 151 | 112.6 Ų | 112.6 | 81% | 0.807 | 71% | 0.71 | S | S | * | * | trans | 68.7 | 98.8 | 158.3 | -63.3 | -0.9 | 0 | 0 | 0 | 121.2 | ||||
| 68 | A | 27.6 | Very low | 40.9 | Very low | 102 Ų | 102 | 114.7 Ų | 114.7 | 84% | 0.843 | 70% | 0.701 | S | S | * | * | trans | 69.5 | 169.2 | 143.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | G70 | A68-G70 PolarHBondContact O-N 2.85Š| ||
| 69 | C | 32.3 | Very low | 42.3 | Very low | 131 Ų | 131 | 113.5 Ų | 113.5 | 89% | 0.885 | 69% | 0.685 | S | S | * | * | trans | 57.7 | 38.2 | 174.9 | -137.8 | 0 | 0 | 0 | 0 | 117.1 | S71 | C69-S71 PolarHBondContact O-N 3.26Š| ||
| 70 | G | 31 | Very low | 43.9 | Very low | 74 Ų | 74 | 113.3 Ų | 113.3 | 76% | 0.763 | 67% | 0.674 | S | S | * | * | trans | -63.9 | 100.3 | 158 | 0 | 0 | 0 | 0 | 0 | 109.6 | A68 S72 | A68-G70 PolarHBondContact O-N 2.85Å; G70-S72 PolarHBondContact O-N 2.8Å | ||
| 71 | S | 42.1 | Very low | 45.9 | Very low | 73 Ų | 73 | 110.3 Ų | 110.3 | 51% | 0.51 | 65% | 0.653 | S | S | . | * | trans | -55.9 | 135.7 | -173.3 | -179.3 | 0 | 0 | 0 | 0 | 112.6 | C69 Y73 E74 | C69-S71 PolarHBondContact O-N 3.26Å; S71-Y73 PolarHBondContact O-N 3.09Å; S71-Y73 PolarHBondContact OG-N 2.67Å; S71-E74 PolarHBondContact O-N 2.78Å | ||
| 72 | S | 47 | Very low | 47.9 | Very low | 92 Ų | 92 | 108.7 Ų | 108.7 | 64% | 0.643 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -40.7 | -38.6 | 169.8 | 171.1 | 0 | 0 | 0 | 0 | 112.5 | G70 E74 Q75 L76 | G70-S72 PolarHBondContact O-N 2.8Å; S72-E74 PolarHBondContact O-N 3.35Å; S72-Q75 PolarHBondContact O-N 2.74Å; S72-L76 VanDerWaalsContact O-CB 3.28Å; S72-L76 WeakPolarHBondContact O-CB 3.44Å; S72-L76 PolarHBondContact O-N 3.16Å |
| 73 | Y | 52.4 | Low | 49.7 | Very low | 169 Ų | 169 | 110.6 Ų | 110.6 | 66% | 0.663 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -57 | -39.1 | 178.9 | -173 | -99.9 | 0 | 0 | 0 | 114.7 | S71 K77 | S71-Y73 PolarHBondContact O-N 3.09Å; S71-Y73 PolarHBondContact OG-N 2.67Å; Y73-K77 WeakPolarHBondContact O-CB 2.98Å; Y73-K77 PolarHBondContact O-N 3.13Å |
| 74 | E | 57.5 | Low | 51.7 | Low | 72 Ų | 72 | 111.2 Ų | 111.2 | 34% | 0.336 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -73.4 | -33.7 | 178.9 | -103.6 | -71.2 | 127 | 0 | 0 | 112.1 | S71 S72 K77 R78 | S71-E74 PolarHBondContact O-N 2.78Å; S72-E74 PolarHBondContact O-N 3.35Å; E74-K77 WeakPolarHBondContact OE1-CD 3.37Å; E74-K77 IonicContact OE1-NZ 3.8Å; E74-K77 PolarHBondContact OE1-NZ 3.29Å; E74-R78 WeakPolarHBondContact O-CG 3.41Å; E74-R78 PolarHBondContact O-N 3.18Å; E74-R78 IonicContact OE2-CZ 3.53Å; E74-R78 IonicContact OE2-NE 3.17Å; E74-R78 PolarHBondContact OE2-NE 3.36Å; E74-R78 IonicContact OE2-NH2 2.66Å; E74-R78 PolarHBondContact OE2-NH2 3.27Å |
| 75 | Q | 58.4 | Low | 53.6 | Low | 132 Ų | 132 | 108.3 Ų | 108.3 | 62% | 0.617 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -76.6 | -41.4 | 177.9 | -165.8 | 161.8 | -3.4 | 0 | 0 | 111.3 | S72 K77 R78 Q79 | S72-Q75 PolarHBondContact O-N 2.74Å; Q75-K77 VanDerWaalsContact C-N 3.35Å; Q75-K77 PolarHBondContact O-N 3.02Å; Q75-R78 PolarHBondContact O-N 3.18Å; Q75-Q79 PolarHBondContact O-N 3.49Å |
| 76 | L | 56.8 | Low | 55.6 | Low | 93 Ų | 93 | 107.1 Ų | 107.1 | 49% | 0.487 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -60.8 | -42.1 | 170.8 | -172.3 | 71.8 | 0 | 0 | 0 | 111.3 | S72 R78 Q79 V80 | S72-L76 VanDerWaalsContact O-CB 3.28Å; S72-L76 WeakPolarHBondContact O-CB 3.44Å; S72-L76 PolarHBondContact O-N 3.16Å; L76-R78 PolarHBondContact O-N 2.83Å; L76-Q79 PolarHBondContact O-N 3.35Å; L76-V80 WeakPolarHBondContact O-CB 3.38Å; L76-V80 VanDerWaalsContact O-CG2 3.3Å; L76-V80 WeakPolarHBondContact O-CG2 3.25Å; L76-V80 PolarHBondContact O-N 3.16Å |
| 77 | K | 71 | Confident | 57.4 | Low | 96 Ų | 96 | 109.1 Ų | 109.1 | 42% | 0.417 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -60.1 | -41.9 | 175.4 | 174.1 | -179.1 | 158.5 | -155.2 | 0 | 112.2 | Y73 E74 Q75 V80 D81 | Y73-K77 WeakPolarHBondContact O-CB 2.98Å; Y73-K77 PolarHBondContact O-N 3.13Å; E74-K77 WeakPolarHBondContact OE1-CD 3.37Å; E74-K77 IonicContact OE1-NZ 3.8Å; E74-K77 PolarHBondContact OE1-NZ 3.29Å; Q75-K77 VanDerWaalsContact C-N 3.35Å; Q75-K77 PolarHBondContact O-N 3.02Å; K77-V80 PolarHBondContact O-N 2.79Å; K77-D81 PolarHBondContact O-N 2.78Å |
| 78 | R | 67.9 | Low | 59.5 | Low | 154 Ų | 154 | 107.8 Ų | 107.8 | 58% | 0.581 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64 | -46.2 | 174 | -70.4 | 172.6 | -152.6 | 174.4 | 8.2 | 111.8 | E74 Q75 L76 V80 D81 E82 | E74-R78 WeakPolarHBondContact O-CG 3.41Å; E74-R78 PolarHBondContact O-N 3.18Å; E74-R78 IonicContact OE2-CZ 3.53Å; E74-R78 IonicContact OE2-NE 3.17Å; E74-R78 PolarHBondContact OE2-NE 3.36Å; E74-R78 IonicContact OE2-NH2 2.66Å; E74-R78 PolarHBondContact OE2-NH2 3.27Å; Q75-R78 PolarHBondContact O-N 3.18Å; L76-R78 PolarHBondContact O-N 2.83Å; R78-V80 VanDerWaalsContact C-N 3.31Å; R78-V80 PolarHBondContact O-N 2.82Å; R78-D81 PolarHBondContact O-N 3.35Å; R78-E82 WeakPolarHBondContact O-CB 3.47Å; R78-E82 WeakPolarHBondContact O-CG 3.39Å; R78-E82 PolarHBondContact O-N 3.34Å |
| 79 | Q | 67.7 | Low | 61.6 | Low | 101 Ų | 101 | 108 Ų | 108 | 47% | 0.472 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60 | -39.8 | 174.6 | -73 | -179 | -29.8 | 0 | 0 | 112.3 | Q75 L76 E82 H83 | Q75-Q79 PolarHBondContact O-N 3.49Å; L76-Q79 PolarHBondContact O-N 3.35Å; Q79-E82 PolarHBondContact O-N 2.9Å; Q79-H83 WeakPolarHBondContact O-CB 3.28Å; Q79-H83 PolarHBondContact O-CD2 2.68Å; Q79-H83 VanDerWaalsContact O-CD2 3.23Å; Q79-H83 PolarHBondContact O-N 3.25Å |
| 80 | V | 67.2 | Low | 63 | Low | 86 Ų | 86 | 103.5 Ų | 103.5 | 52% | 0.521 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.4 | -44.2 | 175.2 | 166.5 | 0 | 0 | 0 | 0 | 111.2 | L76 K77 R78 R84 | L76-V80 WeakPolarHBondContact O-CB 3.38Å; L76-V80 VanDerWaalsContact O-CG2 3.3Å; L76-V80 WeakPolarHBondContact O-CG2 3.25Å; L76-V80 PolarHBondContact O-N 3.16Å; K77-V80 PolarHBondContact O-N 2.79Å; R78-V80 VanDerWaalsContact C-N 3.31Å; R78-V80 PolarHBondContact O-N 2.82Å; V80-R84 WeakPolarHBondContact O-CB 3.24Å; V80-R84 PolarHBondContact O-N 3.07Å |
| 81 | D | 73.9 | Confident | 64.8 | Low | 80 Ų | 80 | 105.2 Ų | 105.2 | 43% | 0.428 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71.6 | -32 | 177.4 | -82.1 | -41.7 | 0 | 0 | 0 | 113 | K77 R78 R84 A85 | K77-D81 PolarHBondContact O-N 2.78Å; R78-D81 PolarHBondContact O-N 3.35Å; D81-R84 PolarHBondContact O-N 3.39Å; D81-R84 IonicContact OD1-NH1 2.69Å; D81-A85 WeakPolarHBondContact O-CB 3.48Å; D81-A85 PolarHBondContact O-N 2.92Å |
| 82 | E | 72.6 | Confident | 66.3 | Low | 132 Ų | 132 | 110.2 Ų | 110.2 | 62% | 0.617 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.8 | -49.6 | 170 | -75.9 | 175.8 | 164.3 | 0 | 0 | 111.7 | R78 Q79 R84 A85 A86 | R78-E82 WeakPolarHBondContact O-CB 3.47Å; R78-E82 WeakPolarHBondContact O-CG 3.39Å; R78-E82 PolarHBondContact O-N 3.34Å; Q79-E82 PolarHBondContact O-N 2.9Å; E82-R84 PolarHBondContact O-N 2.97Å; E82-A85 WeakPolarHBondContact O-CB 3.29Å; E82-A85 PolarHBondContact O-N 3.17Å; E82-A85 VanDerWaalsContact O-N 3.12Å; E82-A86 WeakPolarHBondContact O-CB 3.38Å; E82-A86 PolarHBondContact O-N 3.16Å |
| 83 | H | 69.5 | Low | 67.4 | Low | 141 Ų | 141 | 112.5 Ų | 112.5 | 65% | 0.653 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.5 | -35.7 | 172.8 | -86.6 | -72.9 | 0 | 0 | 0 | 111.8 | Q79 F87 | Q79-H83 WeakPolarHBondContact O-CB 3.28Å; Q79-H83 PolarHBondContact O-CD2 2.68Å; Q79-H83 VanDerWaalsContact O-CD2 3.23Å; Q79-H83 PolarHBondContact O-N 3.25Å; H83-F87 VanDerWaalsContact O-CB 3.26Å; H83-F87 WeakPolarHBondContact O-CB 3.21Å; H83-F87 PolarHBondContact O-N 2.87Å |
| 84 | R | 72.1 | Confident | 68.1 | Low | 148 Ų | 148 | 108.7 Ų | 108.7 | 56% | 0.558 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -71.1 | -32.7 | 176.2 | -165.1 | 178.3 | -166.9 | -158 | 6.5 | 112.5 | V80 D81 E82 K88 | V80-R84 WeakPolarHBondContact O-CB 3.24Å; V80-R84 PolarHBondContact O-N 3.07Å; D81-R84 PolarHBondContact O-N 3.39Å; D81-R84 IonicContact OD1-NH1 2.69Å; E82-R84 PolarHBondContact O-N 2.97Å; R84-K88 WeakPolarHBondContact O-CB 3.33Å; R84-K88 VanDerWaalsContact O-CG 3.26Å; R84-K88 WeakPolarHBondContact O-CG 3.44Å; R84-K88 PolarHBondContact O-N 3.31Å; R84-K88 VanDerWaalsContact O-N 3.08Å |
| 85 | A | 73.6 | Confident | 68.8 | Low | 53 Ų | 53 | 111 Ų | 111 | 44% | 0.438 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.3 | -48.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | D81 E82 F87 K88 Q89 | D81-A85 WeakPolarHBondContact O-CB 3.48Å; D81-A85 PolarHBondContact O-N 2.92Å; E82-A85 WeakPolarHBondContact O-CB 3.29Å; E82-A85 PolarHBondContact O-N 3.17Å; E82-A85 VanDerWaalsContact O-N 3.12Å; A85-F87 VanDerWaalsContact C-N 3.35Å; A85-F87 PolarHBondContact O-N 2.85Å; A85-K88 WeakPolarHBondContact O-CB 3.48Å; A85-K88 PolarHBondContact O-N 2.97Å; A85-Q89 PolarHBondContact O-N 3.49Å |
| 86 | A | 69.3 | Low | 69.5 | Low | 62 Ų | 62 | 111.9 Ų | 111.9 | 51% | 0.512 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.1 | -44.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E82 Q89 G90 | E82-A86 WeakPolarHBondContact O-CB 3.38Å; E82-A86 PolarHBondContact O-N 3.16Å; A86-Q89 PolarHBondContact O-N 3.47Å; A86-G90 PolarHBondContact O-N 2.92Å |
| 87 | F | 67.1 | Low | 69.9 | Low | 149 Ų | 149 | 115.9 Ų | 115.9 | 65% | 0.654 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.9 | -44.4 | 175.3 | -176 | -92.5 | 0 | 0 | 0 | 112.3 | H83 A85 Q89 G90 Y91 | H83-F87 VanDerWaalsContact O-CB 3.26Å; H83-F87 WeakPolarHBondContact O-CB 3.21Å; H83-F87 PolarHBondContact O-N 2.87Å; A85-F87 VanDerWaalsContact C-N 3.35Å; A85-F87 PolarHBondContact O-N 2.85Å; F87-Q89 VanDerWaalsContact C-N 3.26Å; F87-Q89 PolarHBondContact O-N 2.84Å; F87-G90 PolarHBondContact O-N 3.47Å; F87-Y91 HydrophobicContact CE1-CD2 4.49Å; F87-Y91 WeakPolarHBondContact O-CB 3.43Å; F87-Y91 PolarHBondContact O-N 3.32Å |
| 88 | K | 73.1 | Confident | 69.6 | Low | 124 Ų | 124 | 114.7 Ų | 114.7 | 54% | 0.539 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -58.9 | -37.6 | 173.1 | -78.9 | 172.1 | 178.4 | 178.1 | 0 | 111.8 | R84 A85 R92 | R84-K88 WeakPolarHBondContact O-CB 3.33Å; R84-K88 VanDerWaalsContact O-CG 3.26Å; R84-K88 WeakPolarHBondContact O-CG 3.44Å; R84-K88 PolarHBondContact O-N 3.31Å; R84-K88 VanDerWaalsContact O-N 3.08Å; A85-K88 WeakPolarHBondContact O-CB 3.48Å; A85-K88 PolarHBondContact O-N 2.97Å; K88-R92 WeakPolarHBondContact O-CG 3.47Å; K88-R92 PolarHBondContact O-N 3.32Å |
| 89 | Q | 71.8 | Confident | 69.7 | Low | 107 Ų | 107 | 113 Ų | 113 | 50% | 0.5 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -73.6 | -41.8 | 179.3 | -169.4 | 153 | -18 | 0 | 0 | 112.2 | A85 A86 F87 Y91 R92 Y93 | A85-Q89 PolarHBondContact O-N 3.49Å; A86-Q89 PolarHBondContact O-N 3.47Å; F87-Q89 VanDerWaalsContact C-N 3.26Å; F87-Q89 PolarHBondContact O-N 2.84Å; Q89-Y91 VanDerWaalsContact C-N 3.35Å; Q89-Y91 PolarHBondContact O-N 3.4Å; Q89-R92 WeakPolarHBondContact O-CB 3.37Å; Q89-R92 PolarHBondContact O-N 2.96Å; Q89-Y93 HydrophobicContact CG-CD2 4.33Å; Q89-Y93 HydrophobicContact CG-CE2 3.98Å; Q89-Y93 VanDerWaalsContact O-CD2 3.26Å; Q89-Y93 WeakPolarHBondContact O-CD2 3.08Å; Q89-Y93 PolarHBondContact O-N 2.71Å |
| 90 | G | 61.6 | Low | 69.8 | Low | 35 Ų | 35 | 111.5 Ų | 111.5 | 36% | 0.361 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58 | -44.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A86 F87 R92 Y93 V94 | A86-G90 PolarHBondContact O-N 2.92Å; F87-G90 PolarHBondContact O-N 3.47Å; G90-R92 VanDerWaalsContact C-N 3.32Å; G90-R92 PolarHBondContact O-N 3.23Å; G90-Y93 PolarHBondContact O-N 3.44Å; G90-Y93 VanDerWaalsContact O-N 3.12Å; G90-V94 WeakPolarHBondContact O-CG2 3.48Å; G90-V94 PolarHBondContact O-N 3.29Å |
| 91 | Y | 68.5 | Low | 69.5 | Low | 110 Ų | 110 | 112.4 Ų | 112.4 | 43% | 0.431 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.7 | -34.6 | 176.6 | -157.5 | -87.3 | 0 | 0 | 0 | 112.6 | F87 Q89 R95 K799 | F87-Y91 HydrophobicContact CE1-CD2 4.49Å; F87-Y91 WeakPolarHBondContact O-CB 3.43Å; F87-Y91 PolarHBondContact O-N 3.32Å; Q89-Y91 VanDerWaalsContact C-N 3.35Å; Q89-Y91 PolarHBondContact O-N 3.4Å; Y91-R95 WeakPolarHBondContact O-CB 3.49Å; Y91-R95 PolarHBondContact O-N 3.33Å; Y91-K799 PolarHBondContact OH-NZ 2.77Å |
| 92 | R | 74.2 | Confident | 69.1 | Low | 179 Ų | 179 | 110.3 Ų | 110.3 | 68% | 0.675 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.1 | -41.9 | 171.2 | -74.1 | 169.1 | 178 | 176.7 | -2.3 | 112 | K88 Q89 G90 R95 K96 | K88-R92 WeakPolarHBondContact O-CG 3.47Å; K88-R92 PolarHBondContact O-N 3.32Å; Q89-R92 WeakPolarHBondContact O-CB 3.37Å; Q89-R92 PolarHBondContact O-N 2.96Å; G90-R92 VanDerWaalsContact C-N 3.32Å; G90-R92 PolarHBondContact O-N 3.23Å; R92-R95 PolarHBondContact O-N 2.94Å; R92-K96 PolarHBondContact O-N 3.15Å |
| 93 | Y | 70.3 | Confident | 68.9 | Low | 140 Ų | 140 | 109.6 Ų | 109.6 | 55% | 0.549 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.3 | -45.4 | 174.9 | -79 | -67.6 | 0 | 0 | 0 | 112 | Q89 G90 R95 K96 Y97 | Q89-Y93 HydrophobicContact CG-CD2 4.33Å; Q89-Y93 HydrophobicContact CG-CE2 3.98Å; Q89-Y93 VanDerWaalsContact O-CD2 3.26Å; Q89-Y93 WeakPolarHBondContact O-CD2 3.08Å; Q89-Y93 PolarHBondContact O-N 2.71Å; G90-Y93 PolarHBondContact O-N 3.44Å; G90-Y93 VanDerWaalsContact O-N 3.12Å; Y93-R95 VanDerWaalsContact C-N 3.34Å; Y93-R95 PolarHBondContact O-N 3.34Å; Y93-K96 WeakPolarHBondContact O-CB 3.41Å; Y93-K96 PolarHBondContact O-N 2.96Å; Y93-Y97 WeakPolarHBondContact O-CD2 3.46Å; Y93-Y97 PolarHBondContact O-N 3.13Å |
| 94 | V | 66.6 | Low | 69 | Low | 89 Ų | 89 | 109.3 Ų | 109.3 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 175.4 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | G90 K96 Y97 Q98 | G90-V94 WeakPolarHBondContact O-CG2 3.48Å; G90-V94 PolarHBondContact O-N 3.29Å; V94-K96 PolarHBondContact O-N 3.19Å; V94-Y97 PolarHBondContact O-N 2.82Å; V94-Q98 WeakPolarHBondContact O-CB 3.29Å; V94-Q98 PolarHBondContact O-N 3.29Å |
| 95 | R | 72.6 | Confident | 68.4 | Low | 119 Ų | 119 | 106.5 Ų | 106.5 | 45% | 0.449 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.5 | -39.3 | 176.8 | -154.1 | 176.2 | -167.3 | 179.3 | 3.8 | 111.7 | Y91 R92 Y93 Q99 E802 | Y91-R95 WeakPolarHBondContact O-CB 3.49Å; Y91-R95 PolarHBondContact O-N 3.33Å; R92-R95 PolarHBondContact O-N 2.94Å; Y93-R95 VanDerWaalsContact C-N 3.34Å; Y93-R95 PolarHBondContact O-N 3.34Å; R95-Q99 VanDerWaalsContact O-CB 3.31Å; R95-Q99 WeakPolarHBondContact O-CB 3.31Å; R95-Q99 PolarHBondContact O-N 3.32Å; R95-E802 IonicContact NH2-OE2 2.66Å; R95-E802 PolarHBondContact NH2-OE2 3.35Å |
| 96 | K | 72.3 | Confident | 68 | Low | 151 Ų | 151 | 107.8 Ų | 107.8 | 66% | 0.657 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.4 | -51.1 | 171.6 | -97.4 | -165.5 | 172.3 | -169.6 | 0 | 112.2 | R92 Y93 V94 Q98 Q99 S100 | R92-K96 PolarHBondContact O-N 3.15Å; Y93-K96 WeakPolarHBondContact O-CB 3.41Å; Y93-K96 PolarHBondContact O-N 2.96Å; V94-K96 PolarHBondContact O-N 3.19Å; K96-Q98 VanDerWaalsContact C-N 3.34Å; K96-Q98 PolarHBondContact O-N 3.28Å; K96-Q99 PolarHBondContact O-N 2.86Å; K96-Q99 VanDerWaalsContact O-N 3.16Å; K96-S100 PolarHBondContact O-N 3.38Å; K96-S100 PolarHBondContact O-OG 2.84Å |
| 97 | Y | 64.6 | Low | 67.7 | Low | 177 Ų | 177 | 107.5 Ų | 107.5 | 69% | 0.694 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.7 | -41.1 | 178.6 | -84.9 | -68.3 | 0 | 0 | 0 | 112.4 | Y93 V94 Q99 S100 L101 | Y93-Y97 WeakPolarHBondContact O-CD2 3.46Å; Y93-Y97 PolarHBondContact O-N 3.13Å; V94-Y97 PolarHBondContact O-N 2.82Å; Y97-Q99 VanDerWaalsContact C-N 3.31Å; Y97-Q99 PolarHBondContact O-N 2.95Å; Y97-S100 PolarHBondContact O-N 2.7Å; Y97-L101 WeakPolarHBondContact O-CB 3.3Å; Y97-L101 PolarHBondContact O-N 3.15Å |
| 98 | Q | 65.1 | Low | 67.4 | Low | 72 Ų | 72 | 102.9 Ų | 102.9 | 34% | 0.336 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.9 | -42.7 | 174.7 | -168 | 173.8 | 14.8 | 0 | 0 | 110.8 | V94 K96 L101 I102 | V94-Q98 WeakPolarHBondContact O-CB 3.29Å; V94-Q98 PolarHBondContact O-N 3.29Å; K96-Q98 VanDerWaalsContact C-N 3.34Å; K96-Q98 PolarHBondContact O-N 3.28Å; Q98-L101 PolarHBondContact O-N 2.7Å; Q98-I102 HydrophobicContact CG-CD1 4.29Å; Q98-I102 VanDerWaalsContact O-CD1 3.32Å; Q98-I102 WeakPolarHBondContact O-CD1 3.41Å; Q98-I102 VanDerWaalsContact O-CG1 3.26Å; Q98-I102 WeakPolarHBondContact O-CG1 3.48Å; Q98-I102 PolarHBondContact O-N 3.41Å |
| 99 | Q | 69.7 | Low | 66.4 | Low | 118 Ų | 118 | 99.3 Ų | 99.3 | 55% | 0.551 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -71.7 | -36.8 | 179.8 | -158.4 | 161.8 | 16 | 0 | 0 | 113.2 | R95 K96 Y97 I102 Q103 | R95-Q99 VanDerWaalsContact O-CB 3.31Å; R95-Q99 WeakPolarHBondContact O-CB 3.31Å; R95-Q99 PolarHBondContact O-N 3.32Å; K96-Q99 PolarHBondContact O-N 2.86Å; K96-Q99 VanDerWaalsContact O-N 3.16Å; Y97-Q99 VanDerWaalsContact C-N 3.31Å; Y97-Q99 PolarHBondContact O-N 2.95Å; Q99-I102 PolarHBondContact O-N 3.24Å; Q99-Q103 WeakPolarHBondContact O-CG 3.46Å; Q99-Q103 PolarHBondContact O-N 3.42Å |
| 100 | S | 69.4 | Low | 65.8 | Low | 69 Ų | 69 | 98.1 Ų | 98.1 | 48% | 0.483 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -69 | -31.7 | 170.8 | -62.8 | 0 | 0 | 0 | 0 | 113 | K96 Y97 F104 | K96-S100 PolarHBondContact O-N 3.38Å; K96-S100 PolarHBondContact O-OG 2.84Å; Y97-S100 PolarHBondContact O-N 2.7Å; S100-F104 WeakPolarHBondContact O-CB 3.39Å; S100-F104 PolarHBondContact O-N 3.29Å |
| 101 | L | 62.2 | Low | 65.8 | Low | 105 Ų | 105 | 102.9 Ų | 102.9 | 55% | 0.55 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -71.1 | -36.7 | 173.9 | -168.5 | 71.4 | 0 | 0 | 0 | 111.6 | Y97 Q98 F104 N105 | Y97-L101 WeakPolarHBondContact O-CB 3.3Å; Y97-L101 PolarHBondContact O-N 3.15Å; Q98-L101 PolarHBondContact O-N 2.7Å; L101-F104 PolarHBondContact O-N 3.49Å; L101-N105 WeakPolarHBondContact O-CB 3.43Å; L101-N105 PolarHBondContact O-N 2.85Å; L101-N105 PolarHBondContact O-ND2 3.24Å |
| 102 | I | 64.9 | Low | 64.8 | Low | 37 Ų | 37 | 99.9 Ų | 99.9 | 19% | 0.19 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -59.8 | -54.3 | 169.9 | -70 | 154.7 | 0 | 0 | 0 | 109.4 | Q98 Q99 F104 N105 E106 M803 | Q98-I102 HydrophobicContact CG-CD1 4.29Å; Q98-I102 VanDerWaalsContact O-CD1 3.32Å; Q98-I102 WeakPolarHBondContact O-CD1 3.41Å; Q98-I102 VanDerWaalsContact O-CG1 3.26Å; Q98-I102 WeakPolarHBondContact O-CG1 3.48Å; Q98-I102 PolarHBondContact O-N 3.41Å; Q99-I102 PolarHBondContact O-N 3.24Å; I102-F104 VanDerWaalsContact C-N 3.28Å; I102-F104 PolarHBondContact O-N 3.02Å; I102-N105 CarbonylContact O-C 3.57Å; I102-N105 PolarHBondContact O-N 3.1Å; I102-E106 HydrophobicContact CG2-CG 4.16Å; I102-E106 WeakPolarHBondContact O-CG 3.19Å; I102-E106 PolarHBondContact O-N 2.78Å; I102-M803 HydrophobicContact CD1-CE 3.36Å; I102-M803 HydrophobicContact CD1-CG 4.34Å; I102-M803 HydrophobicContact CD1-SD 3.57Å; I102-M803 VanDerWaalsContact CD1-SD 3.57Å; I102-M803 HydrophobicContact CG1-CE 4.15Å; I102-M803 HydrophobicContact CG1-SD 3.88Å; I102-M803 HydrophobicContact CG2-CG 4.3Å; I102-M803 HydrophobicContact CG2-SD 3.84Å |
| 103 | Q | 69.2 | Low | 63.4 | Low | 116 Ų | 116 | 96.8 Ų | 96.8 | 54% | 0.542 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.6 | -35.8 | 177.9 | -73 | 177.4 | -29.5 | 0 | 0 | 113.6 | Q99 E106 A107 | Q99-Q103 WeakPolarHBondContact O-CG 3.46Å; Q99-Q103 PolarHBondContact O-N 3.42Å; Q103-E106 WeakPolarHBondContact CA-OE2 3.24Å; Q103-A107 WeakPolarHBondContact O-CB 3.4Å; Q103-A107 PolarHBondContact O-N 2.81Å |
| 104 | F | 70.8 | Confident | 62.3 | Low | 135 Ų | 135 | 95.4 Ų | 95.4 | 59% | 0.592 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -67.2 | -40.7 | 174.1 | 179.6 | -94.2 | 0 | 0 | 0 | 112.2 | S100 L101 I102 S108 | S100-F104 WeakPolarHBondContact O-CB 3.39Å; S100-F104 PolarHBondContact O-N 3.29Å; L101-F104 PolarHBondContact O-N 3.49Å; I102-F104 VanDerWaalsContact C-N 3.28Å; I102-F104 PolarHBondContact O-N 3.02Å; F104-S108 VanDerWaalsContact O-CB 3.22Å; F104-S108 WeakPolarHBondContact O-CB 3.46Å; F104-S108 PolarHBondContact O-N 3.16Å; F104-S108 PolarHBondContact O-OG 2.86Å |
| 105 | N | 58.7 | Low | 61.2 | Low | 90 Ų | 90 | 97.4 Ų | 97.4 | 48% | 0.481 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -70.9 | -39.9 | 176.8 | -69.4 | -20.7 | 0 | 0 | 0 | 111.8 | L101 I102 S108 A109 | L101-N105 WeakPolarHBondContact O-CB 3.43Å; L101-N105 PolarHBondContact O-N 2.85Å; L101-N105 PolarHBondContact O-ND2 3.24Å; I102-N105 CarbonylContact O-C 3.57Å; I102-N105 PolarHBondContact O-N 3.1Å; N105-S108 PolarHBondContact O-N 2.88Å; N105-A109 VanDerWaalsContact O-CB 3.27Å; N105-A109 WeakPolarHBondContact O-CB 3.25Å; N105-A109 PolarHBondContact O-N 3Å |
| 106 | E | 65.1 | Low | 60 | Low | 79 Ų | 79 | 95.9 Ų | 95.9 | 37% | 0.369 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.4 | -52.8 | 172.7 | -71.7 | 172.4 | 142.1 | 0 | 0 | 110.6 | I102 Q103 S108 A109 E110 | I102-E106 HydrophobicContact CG2-CG 4.16Å; I102-E106 WeakPolarHBondContact O-CG 3.19Å; I102-E106 PolarHBondContact O-N 2.78Å; Q103-E106 WeakPolarHBondContact CA-OE2 3.24Å; E106-S108 VanDerWaalsContact C-N 3.26Å; E106-S108 PolarHBondContact O-N 2.77Å; E106-A109 CarbonylContact O-C 3.56Å; E106-A109 PolarHBondContact O-N 2.96Å; E106-A109 VanDerWaalsContact O-N 3.1Å; E106-E110 WeakPolarHBondContact O-CB 3.49Å; E106-E110 PolarHBondContact O-N 3.01Å |
| 107 | A | 63.6 | Low | 58.7 | Low | 56 Ų | 56 | 95.7 Ų | 95.7 | 46% | 0.463 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.4 | -31.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q103 K111 | Q103-A107 WeakPolarHBondContact O-CB 3.4Å; Q103-A107 PolarHBondContact O-N 2.81Å; A107-K111 WeakPolarHBondContact O-CB 3.26Å; A107-K111 PolarHBondContact O-N 2.93Å |
| 108 | S | 61.3 | Low | 57.6 | Low | 53 Ų | 53 | 93.9 Ų | 93.9 | 37% | 0.371 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -72.4 | -36.2 | 173.4 | -61.7 | 0 | 0 | 0 | 0 | 112.2 | F104 N105 E106 A112 | F104-S108 VanDerWaalsContact O-CB 3.22Å; F104-S108 WeakPolarHBondContact O-CB 3.46Å; F104-S108 PolarHBondContact O-N 3.16Å; F104-S108 PolarHBondContact O-OG 2.86Å; N105-S108 PolarHBondContact O-N 2.88Å; E106-S108 VanDerWaalsContact C-N 3.26Å; E106-S108 PolarHBondContact O-N 2.77Å; S108-A112 VanDerWaalsContact O-CB 3.23Å; S108-A112 WeakPolarHBondContact O-CB 3.35Å; S108-A112 PolarHBondContact O-N 2.82Å |
| 109 | A | 51.9 | Low | 56.2 | Low | 48 Ų | 48 | 94.3 Ų | 94.3 | 40% | 0.397 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -74.6 | -40.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N105 E106 A112 M113 | N105-A109 VanDerWaalsContact O-CB 3.27Å; N105-A109 WeakPolarHBondContact O-CB 3.25Å; N105-A109 PolarHBondContact O-N 3Å; E106-A109 CarbonylContact O-C 3.56Å; E106-A109 PolarHBondContact O-N 2.96Å; E106-A109 VanDerWaalsContact O-N 3.1Å; A109-A112 PolarHBondContact O-N 3.32Å; A109-M113 HydrophobicContact CB-CE 4.46Å; A109-M113 WeakPolarHBondContact O-CB 3.38Å; A109-M113 WeakPolarHBondContact O-CE 3.48Å; A109-M113 WeakPolarHBondContact O-CG 3.29Å; A109-M113 PolarHBondContact O-N 2.85Å |
| 110 | E | 59.8 | Low | 54.5 | Low | 83 Ų | 83 | 91.6 Ų | 91.6 | 39% | 0.388 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.7 | -46.3 | 172.7 | -169.3 | 170.1 | -151.2 | 0 | 0 | 109.9 | E106 A112 M113 E114 R814 | E106-E110 WeakPolarHBondContact O-CB 3.49Å; E106-E110 PolarHBondContact O-N 3.01Å; E110-A112 VanDerWaalsContact C-N 3.33Å; E110-A112 PolarHBondContact O-N 3.08Å; E110-M113 CarbonylContact O-C 3.59Å; E110-M113 PolarHBondContact O-N 2.88Å; E110-M113 VanDerWaalsContact O-N 3.14Å; E110-E114 WeakPolarHBondContact O-CG 3.24Å; E110-E114 PolarHBondContact O-N 2.85Å; E110-R814 IonicContact OE1-CZ 2.65Å; E110-R814 IonicContact OE1-NH1 3.68Å; E110-R814 PolarHBondContact OE1-NH1 2.88Å; E110-R814 IonicContact OE1-NH2 3.04Å |
| 111 | K | 60.1 | Low | 52.8 | Low | 135 Ų | 135 | 97 Ų | 97 | 59% | 0.587 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66 | -31.3 | 175 | -168.3 | 169.4 | -171.7 | 171.5 | 0 | 113.7 | A107 L115 | A107-K111 WeakPolarHBondContact O-CB 3.26Å; A107-K111 PolarHBondContact O-N 2.93Å; K111-L115 WeakPolarHBondContact O-CB 3.25Å; K111-L115 WeakPolarHBondContact O-CG 3.39Å; K111-L115 PolarHBondContact O-N 3.29Å |
| 112 | A | 47.8 | Very low | 51.4 | Low | 47 Ų | 47 | 97.9 Ų | 97.9 | 39% | 0.388 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -70.1 | -39.3 | 171 | 0 | 0 | 0 | 0 | 0 | 111.6 | S108 A109 E110 L115 T116 | S108-A112 VanDerWaalsContact O-CB 3.23Å; S108-A112 WeakPolarHBondContact O-CB 3.35Å; S108-A112 PolarHBondContact O-N 2.82Å; A109-A112 PolarHBondContact O-N 3.32Å; E110-A112 VanDerWaalsContact C-N 3.33Å; E110-A112 PolarHBondContact O-N 3.08Å; A112-L115 PolarHBondContact O-N 3.14Å; A112-T116 WeakPolarHBondContact O-CB 3.49Å; A112-T116 PolarHBondContact O-N 3.26Å; A112-T116 PolarHBondContact O-OG1 3.22Å |
| 113 | M | 45.9 | Very low | 49.8 | Very low | 114 Ų | 114 | 101.6 Ų | 101.6 | 56% | 0.562 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.6 | -40.6 | 173.3 | -75.9 | -176.1 | -79.3 | 0 | 0 | 111.9 | A109 E110 T116 L117 | A109-M113 HydrophobicContact CB-CE 4.46Å; A109-M113 WeakPolarHBondContact O-CB 3.38Å; A109-M113 WeakPolarHBondContact O-CE 3.48Å; A109-M113 WeakPolarHBondContact O-CG 3.29Å; A109-M113 PolarHBondContact O-N 2.85Å; E110-M113 CarbonylContact O-C 3.59Å; E110-M113 PolarHBondContact O-N 2.88Å; E110-M113 VanDerWaalsContact O-N 3.14Å; M113-T116 CarbonylContact O-C 3.53Å; M113-T116 PolarHBondContact O-N 2.98Å; M113-T116 VanDerWaalsContact O-N 3.14Å; M113-L117 WeakPolarHBondContact O-CB 3.45Å; M113-L117 VanDerWaalsContact O-CG 3.3Å; M113-L117 WeakPolarHBondContact O-CG 3.5Å; M113-L117 PolarHBondContact O-N 3.25Å |
| 114 | E | 47.4 | Very low | 47.9 | Very low | 111 Ų | 111 | 102.2 Ų | 102.2 | 52% | 0.519 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -59 | -48.5 | 170.5 | -73.3 | -172.3 | 139.2 | 0 | 0 | 111.4 | E110 T116 L117 L118 | E110-E114 WeakPolarHBondContact O-CG 3.24Å; E110-E114 PolarHBondContact O-N 2.85Å; E114-T116 PolarHBondContact O-N 3.37Å; E114-L117 PolarHBondContact O-N 3.27Å; E114-L117 VanDerWaalsContact O-N 3.1Å; E114-L118 HydrophobicContact CB-CD1 4.36Å; E114-L118 WeakPolarHBondContact O-CB 3.21Å; E114-L118 VanDerWaalsContact O-CG 3.3Å; E114-L118 WeakPolarHBondContact O-CG 3.48Å; E114-L118 PolarHBondContact O-N 3.36Å |
| 115 | L | 43.6 | Very low | 46.2 | Very low | 131 Ų | 131 | 101.9 Ų | 101.9 | 69% | 0.686 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -61.4 | -27.4 | 174.7 | -79.6 | 165.3 | 0 | 0 | 0 | 113.2 | K111 A112 | K111-L115 WeakPolarHBondContact O-CB 3.25Å; K111-L115 WeakPolarHBondContact O-CG 3.39Å; K111-L115 PolarHBondContact O-N 3.29Å; A112-L115 PolarHBondContact O-N 3.14Å |
| 116 | T | 46.8 | Very low | 45 | Very low | 87 Ų | 87 | 102 Ų | 102 | 53% | 0.534 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -83.2 | -23.7 | 176.1 | -53 | 0 | 0 | 0 | 0 | 112.5 | A112 M113 E114 L165 | A112-T116 WeakPolarHBondContact O-CB 3.49Å; A112-T116 PolarHBondContact O-N 3.26Å; A112-T116 PolarHBondContact O-OG1 3.22Å; M113-T116 CarbonylContact O-C 3.53Å; M113-T116 PolarHBondContact O-N 2.98Å; M113-T116 VanDerWaalsContact O-N 3.14Å; E114-T116 PolarHBondContact O-N 3.37Å; T116-L165 HydrophobicContact CG2-CD2 3.9Å |
| 117 | L | 44.5 | Very low | 43.4 | Very low | 147 Ų | 147 | 104 Ų | 104 | 77% | 0.77 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -95.7 | -19.1 | -179.7 | -73.1 | 166.8 | 0 | 0 | 0 | 114.1 | M113 E114 G119 | M113-L117 WeakPolarHBondContact O-CB 3.45Å; M113-L117 VanDerWaalsContact O-CG 3.3Å; M113-L117 WeakPolarHBondContact O-CG 3.5Å; M113-L117 PolarHBondContact O-N 3.25Å; E114-L117 PolarHBondContact O-N 3.27Å; E114-L117 VanDerWaalsContact O-N 3.1Å; L117-G119 VanDerWaalsContact C-N 3.34Å; L117-G119 PolarHBondContact O-N 2.85Å |
| 118 | L | 41.6 | Very low | 41.9 | Very low | 138 Ų | 138 | 109.1 Ų | 109.1 | 72% | 0.723 | 65% | 0.65 | S | S | * | * | trans | -86.1 | 4 | -177.7 | -75.5 | 166.2 | 0 | 0 | 0 | 115 | E114 G120 | E114-L118 HydrophobicContact CB-CD1 4.36Å; E114-L118 WeakPolarHBondContact O-CB 3.21Å; E114-L118 VanDerWaalsContact O-CG 3.3Å; E114-L118 WeakPolarHBondContact O-CG 3.48Å; E114-L118 PolarHBondContact O-N 3.36Å; L118-G120 PolarHBondContact O-N 3.31Å | ||
| 119 | G | 35.1 | Very low | 40.6 | Very low | 81 Ų | 81 | 114.9 Ų | 114.9 | 84% | 0.835 | 67% | 0.669 | S | S | * | * | trans | -74.1 | 33.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | L117 | L117-G119 VanDerWaalsContact C-N 3.34Å; L117-G119 PolarHBondContact O-N 2.85Å | ||
| 120 | G | 34.7 | Very low | 39.9 | Very low | 62 Ų | 62 | 119.8 Ų | 119.8 | 64% | 0.639 | 69% | 0.688 | S | S | * | * | trans | -160.8 | 91.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | L118 | L118-G120 PolarHBondContact O-N 3.31Š| ||
| 121 | H | 34.1 | Very low | 38.6 | Very low | 183 Ų | 183 | 122.2 Ų | 122.2 | 85% | 0.847 | 71% | 0.708 | S | S | * | * | trans | -63.4 | 135.8 | 154.6 | -80.4 | -69 | 0 | 0 | 0 | 109.2 | ||||
| 122 | P | 31.5 | Very low | 37.2 | Very low | 123 Ų | 123 | 121 Ų | 121 | 80% | 0.799 | 72% | 0.717 | S | S | * | * | -129.2 | 163.3 | 85.1 | 38.2 | -31.3 | 0 | 0 | 0 | 114.3 | |||||
| 123 | T | 31.5 | Very low | 36.6 | Very low | 115 Ų | 115 | 124.3 Ų | 124.3 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | trans | -69.3 | 137.8 | 174.5 | 46 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 124 | T | 30.1 | Very low | 35.8 | Very low | 129 Ų | 129 | 125.9 Ų | 125.9 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | trans | 56.1 | 92.4 | 152.2 | 58.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 125 | S | 34.3 | Very low | 35 | Very low | 128 Ų | 128 | 125.6 Ų | 125.6 | 90% | 0.895 | 75% | 0.753 | S | S | * | * | -178.2 | 156.3 | 126.2 | 37.3 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 126 | T | 35.3 | Very low | 34.3 | Very low | 93 Ų | 93 | 124.3 Ų | 124.3 | 57% | 0.571 | 76% | 0.755 | S | S | * | * | trans | -92.1 | 154.3 | 179.9 | 21.6 | 0 | 0 | 0 | 0 | 112.2 | R829 | T126-R829 PolarHBondContact OG1-NH1 3.09Š| ||
| 127 | P | 31.5 | Very low | 33.6 | Very low | 121 Ų | 121 | 124.8 Ų | 124.8 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | trans | -83.1 | 157.6 | -162.8 | 33.4 | -37.5 | 0 | 0 | 0 | 114 | ||||
| 128 | N | 31.8 | Very low | 32.9 | Very low | 162 Ų | 162 | 126.5 Ų | 126.5 | 87% | 0.866 | 76% | 0.763 | S | S | * | * | trans | -134.9 | 152.8 | 153.5 | -160.1 | 1.9 | 0 | 0 | 0 | 109.8 | ||||
| 129 | K | 34.3 | Very low | 32.5 | Very low | 175 Ų | 175 | 126.4 Ų | 126.4 | 76% | 0.761 | 76% | 0.763 | S | S | * | * | trans | -110.8 | 171 | -174.3 | -78.3 | -177.6 | 174.5 | 176.6 | 0 | 111.8 | ||||
| 130 | N | 36 | Very low | 32.4 | Very low | 151 Ų | 151 | 129.6 Ų | 129.6 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | trans | 83.1 | 145.6 | 168.1 | -50.9 | -23.2 | 0 | 0 | 0 | 115.2 | ||||
| 131 | V | 32.3 | Very low | 32.3 | Very low | 133 Ų | 133 | 131.5 Ų | 131.5 | 81% | 0.806 | 76% | 0.764 | S | S | * | * | cis | 176.9 | 166.5 | -30.3 | 125.3 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 132 | S | 32.1 | Very low | 32.3 | Very low | 110 Ų | 110 | 127.7 Ų | 127.7 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | 82.6 | 138.7 | 170.2 | -158.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 133 | V | 33.5 | Very low | 32.5 | Very low | 117 Ų | 117 | 129 Ų | 129 | 71% | 0.709 | 76% | 0.756 | S | S | * | * | cis | -172.8 | 166.3 | -32.4 | 118.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 134 | D | 28.9 | Very low | 32.7 | Very low | 146 Ų | 146 | 129.3 Ų | 129.3 | 78% | 0.781 | 75% | 0.753 | S | S | * | * | trans | 74.4 | 152.1 | 163.7 | -80.3 | -23.1 | 0 | 0 | 0 | 122.5 | ||||
| 135 | S | 30.9 | Very low | 33.1 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | trans | 56.5 | 102 | 161.5 | -58.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 136 | S | 29.6 | Very low | 33.2 | Very low | 104 Ų | 104 | 133.7 Ų | 133.7 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | 91.6 | 134.4 | 53.7 | 78.5 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 137 | S | 31.2 | Very low | 33 | Very low | 97 Ų | 97 | 134.7 Ų | 134.7 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | trans | 79.6 | 149.3 | 163.5 | 77.6 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 138 | F | 30.5 | Very low | 33.2 | Very low | 183 Ų | 183 | 132.4 Ų | 132.4 | 80% | 0.803 | 75% | 0.746 | S | S | * | * | trans | 60.9 | 126.4 | 176.3 | -58.4 | -85.6 | 0 | 0 | 0 | 117.7 | ||||
| 139 | L | 33.7 | Very low | 33.6 | Very low | 136 Ų | 136 | 130.3 Ų | 130.3 | 71% | 0.712 | 74% | 0.741 | S | S | * | * | cis | 88.6 | 117.3 | 32.2 | -67.8 | 171.7 | 0 | 0 | 0 | 115.9 | ||||
| 140 | N | 32.9 | Very low | 34 | Very low | 148 Ų | 148 | 125.4 Ų | 125.4 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | trans | 68.9 | 155.9 | 154.5 | -58 | -14.7 | 0 | 0 | 0 | 117.6 | ||||
| 141 | S | 33.3 | Very low | 34.4 | Very low | 102 Ų | 102 | 121.2 Ų | 121.2 | 71% | 0.713 | 72% | 0.719 | S | S | * | * | cis | 177.6 | 160.4 | -18.9 | 58.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 142 | S | 33.1 | Very low | 34.8 | Very low | 104 Ų | 104 | 118.1 Ų | 118.1 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | cis | -171.4 | 153.8 | -3.9 | -113.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 143 | M | 36.6 | Very low | 35.3 | Very low | 149 Ų | 149 | 116.2 Ų | 116.2 | 73% | 0.734 | 70% | 0.699 | S | S | * | * | trans | 64.9 | 165.4 | 164.1 | -61.5 | -167.2 | 177.5 | 0 | 0 | 117.1 | K145 | M143-K145 PolarHBondContact SD-NZ 3.37Š| ||
| 144 | D | 35.5 | Very low | 35.8 | Very low | 122 Ų | 122 | 113.7 Ų | 113.7 | 65% | 0.652 | 69% | 0.69 | S | S | * | * | cis | -131.6 | 133.5 | 7.4 | -100 | -55.3 | 0 | 0 | 0 | 109.7 | ||||
| 145 | K | 38.5 | Very low | 36.5 | Very low | 153 Ų | 153 | 109.3 Ų | 109.3 | 67% | 0.665 | 68% | 0.675 | S | S | * | * | 88.1 | 141.6 | 74.9 | -78.7 | -162.5 | -156.2 | 96.9 | 0 | 116.6 | M143 | M143-K145 PolarHBondContact SD-NZ 3.37Š| |||
| 146 | Q | 35 | Very low | 37.2 | Very low | 196 Ų | 196 | 107.3 Ų | 107.3 | 92% | 0.916 | 66% | 0.664 | S | S | * | * | trans | 88 | 122.1 | -178.1 | -53.2 | -175.4 | 15.8 | 0 | 0 | 113.5 | ||||
| 147 | S | 32.7 | Very low | 37.9 | Very low | 114 Ų | 114 | 105 Ų | 105 | 80% | 0.797 | 65% | 0.651 | S | S | * | * | cis | -158 | -176 | 30.3 | 59.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 148 | S | 35.5 | Very low | 38.5 | Very low | 73 Ų | 73 | 102.8 Ų | 102.8 | 51% | 0.51 | 64% | 0.639 | S | S | . | * | trans | 71.7 | 112.8 | 170.9 | -166.4 | 0 | 0 | 0 | 0 | 119.6 | A150 | S148-A150 VanDerWaalsContact C-N 3.3Å; S148-A150 PolarHBondContact O-N 3.16Å; S148-A150 PolarHBondContact OG-N 2.8Å | ||
| 149 | P | 39.6 | Very low | 39.2 | Very low | 119 Ų | 119 | 103.8 Ų | 103.8 | 77% | 0.773 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65.9 | -24.2 | 171.2 | -22 | 34.1 | 0 | 0 | 0 | 115.1 | A151 A152 | P149-A151 VanDerWaalsContact C-N 3.35Å; P149-A151 PolarHBondContact O-N 3.4Å; P149-A152 PolarHBondContact O-N 3.13Å |
| 150 | A | 42.3 | Very low | 39.7 | Very low | 71 Ų | 71 | 101.7 Ų | 101.7 | 59% | 0.587 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.3 | -34.8 | -174 | 0 | 0 | 0 | 0 | 0 | 112.7 | S148 A152 A153 A154 | S148-A150 VanDerWaalsContact C-N 3.3Å; S148-A150 PolarHBondContact O-N 3.16Å; S148-A150 PolarHBondContact OG-N 2.8Å; A150-A152 VanDerWaalsContact C-N 3.33Å; A150-A152 PolarHBondContact O-N 2.83Å; A150-A153 PolarHBondContact O-N 3.2Å; A150-A154 PolarHBondContact O-N 3.34Å |
| 151 | A | 44.5 | Very low | 40.2 | Very low | 63 Ų | 63 | 101 Ų | 101 | 52% | 0.521 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65.2 | -35.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | P149 A154 A155 | P149-A151 VanDerWaalsContact C-N 3.35Å; P149-A151 PolarHBondContact O-N 3.4Å; A151-A154 PolarHBondContact O-N 2.8Å; A151-A155 WeakPolarHBondContact O-CB 3.32Å; A151-A155 PolarHBondContact O-N 2.85Å |
| 152 | A | 41.6 | Very low | 40.5 | Very low | 69 Ų | 69 | 103 Ų | 103 | 57% | 0.57 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.2 | -38.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | P149 A150 A156 | P149-A152 PolarHBondContact O-N 3.13Å; A150-A152 VanDerWaalsContact C-N 3.33Å; A150-A152 PolarHBondContact O-N 2.83Å; A152-A156 WeakPolarHBondContact O-CB 3.16Å; A152-A156 PolarHBondContact O-N 3.05Å |
| 153 | A | 42.7 | Very low | 41.1 | Very low | 69 Ų | 69 | 99.5 Ų | 99.5 | 57% | 0.57 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.6 | -40.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A150 A157 | A150-A153 PolarHBondContact O-N 3.2Å; A153-A157 PolarHBondContact O-N 2.66Å; A153-A157 VanDerWaalsContact O-N 3.13Å |
| 154 | A | 43.4 | Very low | 41.4 | Very low | 65 Ų | 65 | 95.2 Ų | 95.2 | 54% | 0.537 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.8 | -43.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A150 A151 A156 A157 A158 | A150-A154 PolarHBondContact O-N 3.34Å; A151-A154 PolarHBondContact O-N 2.8Å; A154-A156 VanDerWaalsContact C-N 3.34Å; A154-A156 PolarHBondContact O-N 2.85Å; A154-A157 PolarHBondContact O-N 3.07Å; A154-A158 PolarHBondContact O-N 2.92Å |
| 155 | A | 44.4 | Very low | 41.8 | Very low | 54 Ų | 54 | 93.6 Ų | 93.6 | 45% | 0.446 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.1 | -37.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | A151 W159 | A151-A155 WeakPolarHBondContact O-CB 3.32Å; A151-A155 PolarHBondContact O-N 2.85Å; A155-W159 PolarHBondContact O-N 3.33Å; A155-W159 VanDerWaalsContact O-N 3.12Å |
| 156 | A | 45.6 | Very low | 42.3 | Very low | 62 Ų | 62 | 89.5 Ų | 89.5 | 51% | 0.512 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.3 | -42.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A152 A154 E160 | A152-A156 WeakPolarHBondContact O-CB 3.16Å; A152-A156 PolarHBondContact O-N 3.05Å; A154-A156 VanDerWaalsContact C-N 3.34Å; A154-A156 PolarHBondContact O-N 2.85Å; A156-E160 WeakPolarHBondContact O-CB 3.37Å; A156-E160 PolarHBondContact O-N 2.86Å; A156-E160 VanDerWaalsContact O-N 3.07Å |
| 157 | A | 44.5 | Very low | 42.9 | Very low | 55 Ų | 55 | 83 Ų | 83 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.1 | -46.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A153 A154 W159 E160 E161 | A153-A157 PolarHBondContact O-N 2.66Å; A153-A157 VanDerWaalsContact O-N 3.13Å; A154-A157 PolarHBondContact O-N 3.07Å; A157-W159 PolarHBondContact O-N 3.13Å; A157-E160 PolarHBondContact O-N 2.94Å; A157-E160 VanDerWaalsContact O-N 3.07Å; A157-E161 WeakPolarHBondContact O-CB 3.49Å; A157-E161 PolarHBondContact O-N 2.79Å |
| 158 | A | 43.2 | Very low | 43.7 | Very low | 51 Ų | 51 | 79.8 Ų | 79.8 | 42% | 0.421 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62 | -41 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | A154 E160 E161 Q162 | A154-A158 PolarHBondContact O-N 2.92Å; A158-E160 VanDerWaalsContact C-N 3.3Å; A158-E160 PolarHBondContact O-N 3.29Å; A158-E161 PolarHBondContact O-N 2.9Å; A158-Q162 WeakPolarHBondContact O-CB 3.48Å; A158-Q162 PolarHBondContact O-N 3.32Å |
| 159 | W | 45.1 | Very low | 44.5 | Very low | 205 Ų | 205 | 79 Ų | 79 | 78% | 0.777 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67 | -30.3 | 173.3 | -92.1 | 74.7 | 0 | 0 | 0 | 113.1 | A155 A157 A163 | A155-W159 PolarHBondContact O-N 3.33Å; A155-W159 VanDerWaalsContact O-N 3.12Å; A157-W159 PolarHBondContact O-N 3.13Å; W159-A163 VanDerWaalsContact O-CB 3.28Å; W159-A163 WeakPolarHBondContact O-CB 3.39Å; W159-A163 PolarHBondContact O-N 3.17Å |
| 160 | E | 44.3 | Very low | 45.1 | Very low | 91 Ų | 91 | 77.7 Ų | 77.7 | 43% | 0.425 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -75.6 | -36.2 | 178.3 | -169.4 | 160.3 | -154.4 | 0 | 0 | 112.3 | A156 A157 A158 D164 R270 | A156-E160 WeakPolarHBondContact O-CB 3.37Å; A156-E160 PolarHBondContact O-N 2.86Å; A156-E160 VanDerWaalsContact O-N 3.07Å; A157-E160 PolarHBondContact O-N 2.94Å; A157-E160 VanDerWaalsContact O-N 3.07Å; A158-E160 VanDerWaalsContact C-N 3.3Å; A158-E160 PolarHBondContact O-N 3.29Å; E160-D164 PolarHBondContact O-N 3.34Å; E160-R270 IonicContact OE1-CZ 3.18Å; E160-R270 IonicContact OE1-NE 2.89Å; E160-R270 PolarHBondContact OE1-NE 3.14Å; E160-R270 IonicContact OE1-NH2 2.66Å; E160-R270 PolarHBondContact OE1-NH2 3.23Å |
| 161 | E | 43.8 | Very low | 45.7 | Very low | 135 Ų | 135 | 76.7 Ų | 76.7 | 63% | 0.631 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -70.6 | -44.9 | 176.6 | -168.8 | 164.7 | -128.6 | 0 | 0 | 112 | A157 A158 A163 D164 L165 | A157-E161 WeakPolarHBondContact O-CB 3.49Å; A157-E161 PolarHBondContact O-N 2.79Å; A158-E161 PolarHBondContact O-N 2.9Å; E161-A163 VanDerWaalsContact C-N 3.25Å; E161-A163 PolarHBondContact O-N 2.66Å; E161-D164 PolarHBondContact O-N 2.96Å; E161-L165 PolarHBondContact O-N 3.4Å |
| 162 | Q | 39.9 | Very low | 46.3 | Very low | 143 Ų | 143 | 79.9 Ų | 79.9 | 67% | 0.668 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -67.9 | -25.1 | 176.7 | -159.9 | 169.8 | 28.9 | 0 | 0 | 112.9 | A158 D164 S166 | A158-Q162 WeakPolarHBondContact O-CB 3.48Å; A158-Q162 PolarHBondContact O-N 3.32Å; Q162-D164 VanDerWaalsContact C-N 3.3Å; Q162-S166 PolarHBondContact O-OG 3.1Å |
| 163 | A | 45.1 | Very low | 46.9 | Very low | 31 Ų | 31 | 80.2 Ų | 80.2 | 26% | 0.256 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -77.3 | -10.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | W159 E161 S166 Q167 | W159-A163 VanDerWaalsContact O-CB 3.28Å; W159-A163 WeakPolarHBondContact O-CB 3.39Å; W159-A163 PolarHBondContact O-N 3.17Å; E161-A163 VanDerWaalsContact C-N 3.25Å; E161-A163 PolarHBondContact O-N 2.66Å; A163-S166 WeakPolarHBondContact CA-OG 3.4Å; A163-S166 PolarHBondContact O-OG 2.85Å; A163-Q167 WeakPolarHBondContact O-CG 3.21Å |
| 164 | D | 42.3 | Very low | 47.4 | Very low | 58 Ų | 58 | 77.8 Ų | 77.8 | 31% | 0.31 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -97 | -40.7 | 177.3 | -76.3 | -2.5 | 0 | 0 | 0 | 111.9 | E160 E161 Q162 S166 Q167 S168 R270 | E160-D164 PolarHBondContact O-N 3.34Å; E161-D164 PolarHBondContact O-N 2.96Å; Q162-D164 VanDerWaalsContact C-N 3.3Å; D164-S166 PolarHBondContact O-N 3.2Å; D164-Q167 WeakPolarHBondContact O-CA 3.21Å; D164-Q167 PolarHBondContact O-N 3.33Å; D164-S168 PolarHBondContact O-N 3.16Å; D164-R270 IonicContact OD1-CZ 2.66Å; D164-R270 IonicContact OD1-NH1 3.42Å; D164-R270 PolarHBondContact OD1-NH1 2.83Å; D164-R270 IonicContact OD1-NH2 3.55Å; D164-R270 PolarHBondContact OD1-NH2 2.86Å; D164-R270 IonicContact OD2-CZ 3.5Å; D164-R270 IonicContact OD2-NH1 2.69Å; D164-R270 PolarHBondContact OD2-NH1 2.78Å; D164-R270 IonicContact OD2-NH2 3.4Å; D164-R270 PolarHBondContact OD2-NH2 3.4Å |
| 165 | L | 43.9 | Very low | 48 | Very low | 88 Ų | 88 | 78.6 Ų | 78.6 | 46% | 0.461 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -58.2 | -30.9 | 172.4 | -69.6 | 167.3 | 0 | 0 | 0 | 112.8 | T116 E161 Q167 S168 S169 | T116-L165 HydrophobicContact CG2-CD2 3.9Å; E161-L165 PolarHBondContact O-N 3.4Å; L165-Q167 VanDerWaalsContact C-N 3.35Å; L165-S168 PolarHBondContact O-OG 3.25Å; L165-S169 PolarHBondContact O-OG 2.89Å; L165-S169 VanDerWaalsContact O-OG 3.1Å |
| 166 | S | 48.6 | Very low | 48.7 | Very low | 67 Ų | 67 | 78.9 Ų | 78.9 | 47% | 0.469 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -81.8 | -9 | 174 | 47.2 | 0 | 0 | 0 | 0 | 114 | Q162 A163 D164 | Q162-S166 PolarHBondContact O-OG 3.1Å; A163-S166 WeakPolarHBondContact CA-OG 3.4Å; A163-S166 PolarHBondContact O-OG 2.85Å; D164-S166 PolarHBondContact O-N 3.2Å |
| 167 | Q | 47.6 | Very low | 49.3 | Very low | 59 Ų | 59 | 81.1 Ų | 81.1 | 28% | 0.276 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -103.4 | -24.2 | 175.3 | -69.9 | -171.4 | -13.3 | 0 | 0 | 113.4 | A163 D164 L165 I263 | A163-Q167 WeakPolarHBondContact O-CG 3.21Å; D164-Q167 WeakPolarHBondContact O-CA 3.21Å; D164-Q167 PolarHBondContact O-N 3.33Å; L165-Q167 VanDerWaalsContact C-N 3.35Å; Q167-I263 HydrophobicContact CB-CD1 4.26Å; Q167-I263 HydrophobicContact CB-CG1 4.39Å |
| 168 | S | 50.7 | Low | 49.9 | Very low | 48 Ų | 48 | 80.9 Ų | 80.9 | 34% | 0.336 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -68.5 | -50.5 | 169.2 | 56.1 | 0 | 0 | 0 | 0 | 111.8 | D164 L165 L170 R171 E172 | D164-S168 PolarHBondContact O-N 3.16Å; L165-S168 PolarHBondContact O-OG 3.25Å; S168-L170 VanDerWaalsContact C-N 3.3Å; S168-L170 PolarHBondContact O-N 3Å; S168-R171 WeakPolarHBondContact O-CA 3.4Å; S168-R171 WeakPolarHBondContact O-CB 3.32Å; S168-R171 PolarHBondContact O-N 2.63Å; S168-E172 PolarHBondContact O-N 2.87Å |
| 169 | S | 52.5 | Low | 50.8 | Low | 57 Ų | 57 | 82.9 Ų | 82.9 | 40% | 0.399 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -58.6 | -35.8 | -178.3 | 49.5 | 0 | 0 | 0 | 0 | 113.7 | L165 E172 S173 | L165-S169 PolarHBondContact O-OG 2.89Å; L165-S169 VanDerWaalsContact O-OG 3.1Å; S169-E172 PolarHBondContact O-N 2.69Å; S169-S173 VanDerWaalsContact O-CB 3.27Å; S169-S173 WeakPolarHBondContact O-CB 3.4Å; S169-S173 PolarHBondContact O-N 3.49Å |
| 170 | L | 51 | Low | 51.6 | Low | 90 Ų | 90 | 79.7 Ų | 79.7 | 47% | 0.471 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -70.5 | -30.3 | 173.2 | -114.6 | 87.3 | 0 | 0 | 0 | 113.4 | S168 L174 M259 | S168-L170 VanDerWaalsContact C-N 3.3Å; S168-L170 PolarHBondContact O-N 3Å; L170-L174 WeakPolarHBondContact O-CB 3.47Å; L170-L174 PolarHBondContact O-N 2.88Å; L170-M259 HydrophobicContact CB-CE 4.31Å; L170-M259 HydrophobicContact CD2-CE 3.97Å; L170-M259 HydrophobicContact CD2-SD 3.54Å; L170-M259 VanDerWaalsContact CD2-SD 3.54Å |
| 171 | R | 54.7 | Low | 52.3 | Low | 50 Ų | 50 | 76.8 Ų | 76.8 | 19% | 0.189 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -70.7 | -41.4 | 172.4 | -79.3 | -178.5 | 159.8 | -173.2 | -3.4 | 111.5 | S168 N175 W260 I263 N264 | S168-R171 WeakPolarHBondContact O-CA 3.4Å; S168-R171 WeakPolarHBondContact O-CB 3.32Å; S168-R171 PolarHBondContact O-N 2.63Å; R171-N175 VanDerWaalsContact O-CB 3.31Å; R171-N175 WeakPolarHBondContact O-CB 3.34Å; R171-N175 PolarHBondContact O-N 3.4Å; R171-W260 VanDerWaalsContact NH2-CZ3 3.28Å; R171-I263 HydrophobicContact CG-CD1 4.07Å; R171-I263 VanDerWaalsContact CZ-CG2 3.45Å; R171-N264 PolarHBondContact NH2-OD1 3.38Å |
| 172 | E | 58.5 | Low | 53.2 | Low | 131 Ų | 131 | 75.1 Ų | 75.1 | 61% | 0.612 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -67.6 | -47.1 | 179.3 | -71.2 | 171.2 | 172.1 | 0 | 0 | 111.6 | S168 S169 L174 N175 A176 | S168-E172 PolarHBondContact O-N 2.87Å; S169-E172 PolarHBondContact O-N 2.69Å; E172-L174 VanDerWaalsContact C-N 3.35Å; E172-L174 PolarHBondContact O-N 2.81Å; E172-N175 PolarHBondContact O-N 2.9Å; E172-A176 WeakPolarHBondContact O-CB 3.3Å; E172-A176 PolarHBondContact O-N 3Å |
| 173 | S | 53.8 | Low | 54.5 | Low | 76 Ų | 76 | 74.8 Ų | 74.8 | 53% | 0.531 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -53.5 | -48.6 | 174.1 | 169.5 | 0 | 0 | 0 | 0 | 112.2 | S169 A176 E177 | S169-S173 VanDerWaalsContact O-CB 3.27Å; S169-S173 WeakPolarHBondContact O-CB 3.4Å; S169-S173 PolarHBondContact O-N 3.49Å; S173-A176 WeakPolarHBondContact O-CB 3.33Å; S173-A176 PolarHBondContact O-N 3.26Å; S173-E177 PolarHBondContact O-N 2.88Å |
| 174 | L | 51.9 | Low | 55.7 | Low | 18 Ų | 18 | 76.8 Ų | 76.8 | 9% | 0.094 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -78.6 | -25.9 | -176.2 | -168.1 | 49.2 | 0 | 0 | 0 | 112.9 | L170 E172 E177 L178 N256 M259 | L170-L174 WeakPolarHBondContact O-CB 3.47Å; L170-L174 PolarHBondContact O-N 2.88Å; E172-L174 VanDerWaalsContact C-N 3.35Å; E172-L174 PolarHBondContact O-N 2.81Å; L174-E177 HydrophobicContact CD1-CB 4.4Å; L174-E177 VanDerWaalsContact CD1-OE2 3.25Å; L174-E177 WeakPolarHBondContact CD1-OE2 3.42Å; L174-L178 WeakPolarHBondContact O-CB 3.41Å; L174-L178 WeakPolarHBondContact O-CG 3.17Å; L174-L178 PolarHBondContact O-N 3.39Å; L174-N256 HydrophobicContact CD2-CB 3.69Å; L174-N256 HydrophobicContact CG-CB 4.49Å; L174-M259 HydrophobicContact CD2-CE 4.05Å |
| 175 | N | 56.5 | Low | 56.8 | Low | 82 Ų | 82 | 76.7 Ų | 76.7 | 44% | 0.439 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.2 | -40.6 | 165.9 | -92.8 | -22.4 | 0 | 0 | 0 | 111.7 | R171 E172 L179 | R171-N175 VanDerWaalsContact O-CB 3.31Å; R171-N175 WeakPolarHBondContact O-CB 3.34Å; R171-N175 PolarHBondContact O-N 3.4Å; E172-N175 PolarHBondContact O-N 2.9Å; N175-L179 VanDerWaalsContact O-CB 3.31Å; N175-L179 WeakPolarHBondContact O-CB 3.47Å; N175-L179 WeakPolarHBondContact O-CG 3.4Å; N175-L179 PolarHBondContact O-N 2.84Å |
| 176 | A | 59.2 | Low | 58 | Low | 59 Ų | 59 | 75.9 Ų | 75.9 | 49% | 0.488 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | E172 S173 L179 F180 | E172-A176 WeakPolarHBondContact O-CB 3.3Å; E172-A176 PolarHBondContact O-N 3Å; S173-A176 WeakPolarHBondContact O-CB 3.33Å; S173-A176 PolarHBondContact O-N 3.26Å; A176-L179 PolarHBondContact O-N 2.95Å; A176-F180 WeakPolarHBondContact O-CB 3.45Å; A176-F180 PolarHBondContact O-N 3.33Å |
| 177 | E | 57.7 | Low | 59.2 | Low | 110 Ų | 110 | 76.3 Ų | 76.3 | 51% | 0.514 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.2 | -45.8 | 176.1 | -170.5 | 167.2 | -129.4 | 0 | 0 | 112.3 | S173 L174 L179 F180 M181 | S173-E177 PolarHBondContact O-N 2.88Å; L174-E177 HydrophobicContact CD1-CB 4.4Å; L174-E177 VanDerWaalsContact CD1-OE2 3.25Å; L174-E177 WeakPolarHBondContact CD1-OE2 3.42Å; E177-L179 PolarHBondContact O-N 2.8Å; E177-F180 PolarHBondContact O-N 3.24Å; E177-M181 WeakPolarHBondContact O-CG 3.33Å; E177-M181 PolarHBondContact O-N 2.9Å |
| 178 | L | 57.4 | Low | 60.1 | Low | 49 Ų | 49 | 74.2 Ų | 74.2 | 26% | 0.257 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.5 | -38.6 | 173.5 | -76 | 166.8 | 0 | 0 | 0 | 112.6 | L174 M181 H182 | L174-L178 WeakPolarHBondContact O-CB 3.41Å; L174-L178 WeakPolarHBondContact O-CG 3.17Å; L174-L178 PolarHBondContact O-N 3.39Å; L178-M181 HydrophobicContact CD2-CE 3.96Å; L178-H182 VanDerWaalsContact O-CB 3.3Å; L178-H182 WeakPolarHBondContact O-CB 3.43Å; L178-H182 PolarHBondContact O-N 3.37Å |
| 179 | L | 62 | Low | 60.9 | Low | 93 Ų | 93 | 73.8 Ų | 73.8 | 49% | 0.487 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.5 | -38.3 | 173.8 | -84.9 | 166.4 | 0 | 0 | 0 | 112.4 | N175 A176 E177 R183 | N175-L179 VanDerWaalsContact O-CB 3.31Å; N175-L179 WeakPolarHBondContact O-CB 3.47Å; N175-L179 WeakPolarHBondContact O-CG 3.4Å; N175-L179 PolarHBondContact O-N 2.84Å; A176-L179 PolarHBondContact O-N 2.95Å; E177-L179 PolarHBondContact O-N 2.8Å; L179-R183 WeakPolarHBondContact O-CB 3.38Å; L179-R183 WeakPolarHBondContact O-CG 3.34Å; L179-R183 PolarHBondContact O-N 3.47Å |
| 180 | F | 62.6 | Low | 62 | Low | 139 Ų | 139 | 74.8 Ų | 74.8 | 61% | 0.61 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63.3 | -50.3 | 175.6 | 176.2 | -96.7 | 0 | 0 | 0 | 110.9 | A176 E177 H182 R183 W184 | A176-F180 WeakPolarHBondContact O-CB 3.45Å; A176-F180 PolarHBondContact O-N 3.33Å; E177-F180 PolarHBondContact O-N 3.24Å; F180-H182 PolarHBondContact O-N 2.92Å; F180-R183 PolarHBondContact O-N 3.41Å; F180-W184 WeakPolarHBondContact O-CB 3.39Å; F180-W184 PolarHBondContact O-N 2.87Å |
| 181 | M | 59.4 | Low | 62.9 | Low | 29 Ų | 29 | 74.2 Ų | 74.2 | 14% | 0.143 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.8 | -42 | 176.5 | -68.4 | -165 | -64.2 | 0 | 0 | 112.3 | E177 L178 R183 W184 W185 M245 I249 | E177-M181 WeakPolarHBondContact O-CG 3.33Å; E177-M181 PolarHBondContact O-N 2.9Å; L178-M181 HydrophobicContact CD2-CE 3.96Å; M181-R183 PolarHBondContact O-N 3.48Å; M181-W184 PolarHBondContact O-N 2.88Å; M181-W185 WeakPolarHBondContact O-CB 3.28Å; M181-W185 PolarHBondContact O-N 3.28Å; M181-M245 HydrophobicContact CB-CE 4.28Å; M181-M245 HydrophobicContact CG-CE 3.8Å; M181-M245 HydrophobicContact SD-CE 3.93Å; M181-I249 HydrophobicContact CE-CB 4.48Å; M181-I249 HydrophobicContact CE-CG1 3.75Å; M181-I249 HydrophobicContact SD-CG1 3.65Å |
| 182 | H | 62.1 | Low | 63.8 | Low | 100 Ų | 100 | 72.2 Ų | 72.2 | 46% | 0.463 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.8 | -41 | 175.7 | 175.4 | -87.8 | 0 | 0 | 0 | 112.3 | L178 F180 K186 | L178-H182 VanDerWaalsContact O-CB 3.3Å; L178-H182 WeakPolarHBondContact O-CB 3.43Å; L178-H182 PolarHBondContact O-N 3.37Å; F180-H182 PolarHBondContact O-N 2.92Å; H182-K186 VanDerWaalsContact O-CB 3.26Å; H182-K186 WeakPolarHBondContact O-CB 3.43Å; H182-K186 PolarHBondContact O-N 2.6Å |
| 183 | R | 67.5 | Low | 64.4 | Low | 136 Ų | 136 | 71.6 Ų | 71.6 | 51% | 0.513 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.1 | -51.2 | 173.5 | -78.1 | -179.7 | 177.1 | -160.8 | 0.1 | 111.1 | L179 F180 M181 W185 K186 T187 | L179-R183 WeakPolarHBondContact O-CB 3.38Å; L179-R183 WeakPolarHBondContact O-CG 3.34Å; L179-R183 PolarHBondContact O-N 3.47Å; F180-R183 PolarHBondContact O-N 3.41Å; M181-R183 PolarHBondContact O-N 3.48Å; R183-W185 PolarHBondContact O-N 3.16Å; R183-K186 PolarHBondContact O-N 3.4Å; R183-T187 PolarHBondContact O-N 2.7Å; R183-T187 PolarHBondContact O-OG1 3.08Å; R183-T187 VanDerWaalsContact O-OG1 3.1Å |
| 184 | W | 69.1 | Low | 65.4 | Low | 73 Ų | 73 | 71.3 Ų | 71.3 | 28% | 0.277 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -56.3 | -49.1 | 178.7 | 178.7 | 91.8 | 0 | 0 | 0 | 111.5 | F180 M181 K186 T187 S188 M241 L242 M245 | F180-W184 WeakPolarHBondContact O-CB 3.39Å; F180-W184 PolarHBondContact O-N 2.87Å; M181-W184 PolarHBondContact O-N 2.88Å; W184-K186 PolarHBondContact O-N 2.89Å; W184-T187 PolarHBondContact O-N 2.87Å; W184-S188 PolarHBondContact O-N 2.98Å; W184-S188 PolarHBondContact O-OG 2.97Å; W184-S188 VanDerWaalsContact O-OG 3.07Å; W184-M241 HydrophobicContact CH2-CB 4.01Å; W184-M241 HydrophobicContact CZ2-CB 4.27Å; W184-M241 HydrophobicContact CZ2-SD 4.39Å; W184-L242 HydrophobicContact CH2-CD2 4.49Å; W184-L242 HydrophobicContact CZ3-CD2 4.02Å; W184-M245 HydrophobicContact CD2-CE 4.36Å; W184-M245 HydrophobicContact CD2-SD 4.03Å; W184-M245 HydrophobicContact CE3-CE 3.84Å; W184-M245 HydrophobicContact CE3-SD 3.56Å; W184-M245 VanDerWaalsContact CE3-SD 3.56Å; W184-M245 HydrophobicContact CH2-SD 3.59Å; W184-M245 VanDerWaalsContact CH2-SD 3.59Å; W184-M245 HydrophobicContact CZ2-SD 4.02Å; W184-M245 HydrophobicContact CZ3-CE 4.13Å; W184-M245 HydrophobicContact CZ3-SD 3.33Å; W184-M245 WeakPolarHBondContact CZ3-SD 3.36Å |
| 185 | W | 66.3 | Low | 66.4 | Low | 57 Ų | 57 | 76.2 Ų | 76.2 | 22% | 0.216 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60 | -45.4 | 178.8 | 176.5 | 87.9 | 0 | 0 | 0 | 112.3 | M181 R183 T187 S188 I189 L242 A404 | M181-W185 WeakPolarHBondContact O-CB 3.28Å; M181-W185 PolarHBondContact O-N 3.28Å; R183-W185 PolarHBondContact O-N 3.16Å; W185-T187 PolarHBondContact O-N 3.26Å; W185-S188 PolarHBondContact O-N 3.32Å; W185-I189 HydrophobicContact CD2-CD1 4.37Å; W185-I189 HydrophobicContact CH2-CD1 3.83Å; W185-I189 HydrophobicContact CZ2-CD1 3.19Å; W185-I189 HydrophobicContact CZ2-CG1 4.21Å; W185-I189 PolarHBondContact O-N 2.81Å; W185-L242 VanDerWaalsContact CD1-CD2 3.45Å; W185-A404 HydrophobicContact CD2-CB 4.29Å; W185-A404 HydrophobicContact CE3-CB 4.36Å; W185-A404 HydrophobicContact CH2-CB 3.19Å; W185-A404 HydrophobicContact CZ2-CB 3.03Å; W185-A404 HydrophobicContact CZ3-CB 3.86Å |
| 186 | K | 68.7 | Low | 67.4 | Low | 70 Ų | 70 | 74.1 Ų | 74.1 | 30% | 0.304 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 177.1 | -175.5 | -165.6 | 173.3 | -161.8 | 0 | 111.4 | H182 R183 W184 K190 L793 E797 | H182-K186 VanDerWaalsContact O-CB 3.26Å; H182-K186 WeakPolarHBondContact O-CB 3.43Å; H182-K186 PolarHBondContact O-N 2.6Å; R183-K186 PolarHBondContact O-N 3.4Å; W184-K186 PolarHBondContact O-N 2.89Å; K186-K190 WeakPolarHBondContact O-CB 3.21Å; K186-K190 PolarHBondContact O-N 3.21Å; K186-L793 VanDerWaalsContact NZ-CD2 3.29Å; K186-E797 IonicContact NZ-OE1 2.69Å; K186-E797 PolarHBondContact NZ-OE1 3.35Å; K186-E797 IonicContact NZ-OE2 3.21Å |
| 187 | T | 73.9 | Confident | 68.1 | Low | 77 Ų | 77 | 76.3 Ų | 76.3 | 47% | 0.472 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.9 | -47.4 | 175.4 | -56 | 0 | 0 | 0 | 0 | 111.1 | R183 W184 W185 I189 K190 D191 | R183-T187 PolarHBondContact O-N 2.7Å; R183-T187 PolarHBondContact O-OG1 3.08Å; R183-T187 VanDerWaalsContact O-OG1 3.1Å; W184-T187 PolarHBondContact O-N 2.87Å; W185-T187 PolarHBondContact O-N 3.26Å; T187-I189 PolarHBondContact O-N 2.99Å; T187-K190 WeakPolarHBondContact O-CB 3.1Å; T187-K190 PolarHBondContact O-N 2.84Å; T187-K190 VanDerWaalsContact O-N 3.1Å; T187-D191 PolarHBondContact O-N 3.14Å |
| 188 | S | 66.4 | Low | 68.8 | Low | 14 Ų | 14 | 77 Ų | 77 | 10% | 0.098 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.3 | -36.2 | -179.8 | -60.1 | 0 | 0 | 0 | 0 | 113.6 | W184 W185 L192 | W184-S188 PolarHBondContact O-N 2.98Å; W184-S188 PolarHBondContact O-OG 2.97Å; W184-S188 VanDerWaalsContact O-OG 3.07Å; W185-S188 PolarHBondContact O-N 3.32Å; S188-L192 WeakPolarHBondContact O-CB 3.33Å; S188-L192 PolarHBondContact O-N 3.36Å; S188-L192 VanDerWaalsContact O-N 3.16Å |
| 189 | I | 67.7 | Low | 69.6 | Low | 39 Ų | 39 | 75.7 Ų | 75.7 | 20% | 0.2 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.4 | -40.4 | 171.6 | -72.9 | -157.8 | 0 | 0 | 0 | 111.4 | W185 T187 L192 H193 | W185-I189 HydrophobicContact CD2-CD1 4.37Å; W185-I189 HydrophobicContact CH2-CD1 3.83Å; W185-I189 HydrophobicContact CZ2-CD1 3.19Å; W185-I189 HydrophobicContact CZ2-CG1 4.21Å; W185-I189 PolarHBondContact O-N 2.81Å; T187-I189 PolarHBondContact O-N 2.99Å; I189-L192 PolarHBondContact O-N 2.85Å; I189-H193 WeakPolarHBondContact O-CB 3.44Å; I189-H193 PolarHBondContact O-N 3.28Å |
| 190 | K | 75.2 | Confident | 70.3 | Confident | 79 Ų | 79 | 75.1 Ų | 75.1 | 34% | 0.343 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.9 | -49.1 | 176.7 | -176.3 | -177.2 | 168.3 | -66.3 | 0 | 111.3 | K186 T187 L192 H193 D194 | K186-K190 WeakPolarHBondContact O-CB 3.21Å; K186-K190 PolarHBondContact O-N 3.21Å; T187-K190 WeakPolarHBondContact O-CB 3.1Å; T187-K190 PolarHBondContact O-N 2.84Å; T187-K190 VanDerWaalsContact O-N 3.1Å; K190-L192 PolarHBondContact O-N 2.79Å; K190-H193 PolarHBondContact O-N 3Å; K190-D194 IonicContact NZ-OD2 3.58Å; K190-D194 PolarHBondContact NZ-OD2 3.46Å; K190-D194 WeakPolarHBondContact O-CB 3.38Å; K190-D194 VanDerWaalsContact O-CG 3.31Å; K190-D194 PolarHBondContact O-N 3.4Å |
| 191 | D | 71 | Confident | 70.9 | Confident | 77 Ų | 77 | 73.7 Ų | 73.7 | 41% | 0.412 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.5 | -31.4 | 177.8 | -74.2 | 8.3 | 0 | 0 | 0 | 112.7 | T187 R195 | T187-D191 PolarHBondContact O-N 3.14Å; D191-R195 WeakPolarHBondContact O-CB 3.39Å; D191-R195 PolarHBondContact O-N 2.95Å |
| 192 | L | 72.1 | Confident | 71.6 | Confident | 8 Ų | 8 | 76 Ų | 76 | 4% | 0.042 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -71.1 | -39.6 | 173.1 | -172.7 | 141.3 | 0 | 0 | 0 | 112.1 | S188 I189 K190 E196 R235 I238 F239 T397 | S188-L192 WeakPolarHBondContact O-CB 3.33Å; S188-L192 PolarHBondContact O-N 3.36Å; S188-L192 VanDerWaalsContact O-N 3.16Å; I189-L192 PolarHBondContact O-N 2.85Å; K190-L192 PolarHBondContact O-N 2.79Å; L192-E196 WeakPolarHBondContact O-CB 3.31Å; L192-E196 PolarHBondContact O-N 3.47Å; L192-R235 HydrophobicContact CD1-CG 4.5Å; L192-I238 HydrophobicContact CB-CD1 4.12Å; L192-I238 HydrophobicContact CD1-CB 3.96Å; L192-I238 HydrophobicContact CD1-CD1 4.31Å; L192-I238 HydrophobicContact CD1-CG2 3.72Å; L192-F239 HydrophobicContact CD1-CE2 4.42Å; L192-T397 HydrophobicContact CD2-CG2 4.41Å |
| 193 | H | 72.9 | Confident | 72.2 | Confident | 119 Ų | 119 | 73.5 Ų | 73.5 | 55% | 0.551 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -77 | -41.9 | -177.9 | -143.7 | 39.5 | 0 | 0 | 0 | 112.5 | I189 K190 R195 E196 E197 | I189-H193 WeakPolarHBondContact O-CB 3.44Å; I189-H193 PolarHBondContact O-N 3.28Å; K190-H193 PolarHBondContact O-N 3Å; H193-R195 VanDerWaalsContact C-N 3.28Å; H193-R195 PolarHBondContact O-N 2.83Å; H193-E196 IonicContact ND1-OE2 2.8Å; H193-E196 PolarHBondContact ND1-OE2 2.84Å; H193-E196 PolarHBondContact O-N 3.14Å; H193-E196 VanDerWaalsContact O-N 3.12Å; H193-E197 PolarHBondContact O-N 3.22Å |
| 194 | D | 74.4 | Confident | 72.6 | Confident | 69 Ų | 69 | 74.1 Ų | 74.1 | 37% | 0.369 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57 | -43.2 | 174.7 | -69.7 | -3.3 | 0 | 0 | 0 | 110.3 | K190 E197 E198 | K190-D194 IonicContact NZ-OD2 3.58Å; K190-D194 PolarHBondContact NZ-OD2 3.46Å; K190-D194 WeakPolarHBondContact O-CB 3.38Å; K190-D194 VanDerWaalsContact O-CG 3.31Å; K190-D194 PolarHBondContact O-N 3.4Å; D194-E197 PolarHBondContact O-N 3.09Å; D194-E198 PolarHBondContact O-N 2.82Å |
| 195 | R | 73.5 | Confident | 72.7 | Confident | 121 Ų | 121 | 73.3 Ų | 73.3 | 46% | 0.457 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -73.2 | -29.8 | 175.4 | -78.3 | 176.3 | 167.1 | 168.2 | 3 | 114.5 | D191 H193 E197 E198 Y199 F231 F234 | D191-R195 WeakPolarHBondContact O-CB 3.39Å; D191-R195 PolarHBondContact O-N 2.95Å; H193-R195 VanDerWaalsContact C-N 3.28Å; H193-R195 PolarHBondContact O-N 2.83Å; R195-E197 VanDerWaalsContact C-N 3.3Å; R195-E198 PolarHBondContact O-N 2.97Å; R195-Y199 WeakPolarHBondContact O-CB 3.46Å; R195-Y199 PolarHBondContact O-N 3.33Å; R195-F231 HydrophobicContact CB-CD2 4.41Å; R195-F231 HydrophobicContact CB-CE2 4.12Å; R195-F234 HydrophobicContact CB-CD1 4.48Å; R195-F234 HydrophobicContact CB-CE1 4Å; R195-F234 HydrophobicContact CG-CE1 4.22Å; R195-F234 VanDerWaalsContact NH1-CZ 3.28Å |
| 196 | E | 75.9 | Confident | 72.9 | Confident | 39 Ų | 39 | 71.6 Ų | 71.6 | 18% | 0.182 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.4 | -36.8 | 172 | -166.4 | 163.3 | -130.7 | 0 | 0 | 110.4 | L192 H193 L200 F231 R235 | L192-E196 WeakPolarHBondContact O-CB 3.31Å; L192-E196 PolarHBondContact O-N 3.47Å; H193-E196 IonicContact ND1-OE2 2.8Å; H193-E196 PolarHBondContact ND1-OE2 2.84Å; H193-E196 PolarHBondContact O-N 3.14Å; H193-E196 VanDerWaalsContact O-N 3.12Å; E196-L200 WeakPolarHBondContact O-CB 3.18Å; E196-L200 WeakPolarHBondContact O-CD1 3.06Å; E196-L200 VanDerWaalsContact O-CG 3.29Å; E196-L200 WeakPolarHBondContact O-CG 3.34Å; E196-L200 PolarHBondContact O-N 3.32Å; E196-F231 HydrophobicContact CB-CE2 4.2Å; E196-F231 HydrophobicContact CB-CZ 3.73Å; E196-F231 HydrophobicContact CG-CE1 4.48Å; E196-F231 HydrophobicContact CG-CZ 3.87Å; E196-R235 IonicContact OE1-CZ 3.53Å; E196-R235 IonicContact OE1-NH1 2.75Å; E196-R235 PolarHBondContact OE1-NH1 3.39Å |
| 197 | E | 73.5 | Confident | 73.1 | Confident | 105 Ų | 105 | 73.3 Ų | 73.3 | 49% | 0.491 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -69.9 | -40.2 | 173.3 | -147.1 | -152.3 | 158.5 | 0 | 0 | 112.6 | H193 D194 R195 L200 K201 | H193-E197 PolarHBondContact O-N 3.22Å; D194-E197 PolarHBondContact O-N 3.09Å; R195-E197 VanDerWaalsContact C-N 3.3Å; E197-L200 PolarHBondContact O-N 3.5Å; E197-K201 WeakPolarHBondContact O-CB 3.23Å; E197-K201 WeakPolarHBondContact O-CD 3.36Å; E197-K201 VanDerWaalsContact O-CG 3.28Å; E197-K201 WeakPolarHBondContact O-CG 3.5Å; E197-K201 PolarHBondContact O-N 3.26Å; E197-K201 WeakPolarHBondContact OE1-CE 3.36Å; E197-K201 IonicContact OE1-NZ 2.69Å; E197-K201 PolarHBondContact OE1-NZ 2.67Å; E197-K201 IonicContact OE2-NZ 3.52Å; E197-K201 PolarHBondContact OE2-NZ 3.35Å |
| 198 | E | 73.8 | Confident | 72.9 | Confident | 125 Ų | 125 | 76 Ų | 76 | 58% | 0.584 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -59.7 | -46.3 | 172 | -74 | -175.9 | 152.7 | 0 | 0 | 112 | D194 R195 L200 K201 L202 | D194-E198 PolarHBondContact O-N 2.82Å; R195-E198 PolarHBondContact O-N 2.97Å; E198-L200 VanDerWaalsContact C-N 3.35Å; E198-L200 PolarHBondContact O-N 2.97Å; E198-K201 PolarHBondContact O-N 3.02Å; E198-L202 PolarHBondContact O-N 2.96Å |
| 199 | Y | 74.2 | Confident | 73 | Confident | 20 Ų | 20 | 79 Ų | 79 | 8% | 0.078 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.5 | -46 | 175.1 | 175.3 | -87 | 0 | 0 | 0 | 111.3 | R195 K201 L202 E203 V227 K228 F231 | R195-Y199 WeakPolarHBondContact O-CB 3.46Å; R195-Y199 PolarHBondContact O-N 3.33Å; Y199-K201 PolarHBondContact O-N 2.94Å; Y199-L202 PolarHBondContact O-N 3.43Å; Y199-E203 HydrophobicContact CE1-CB 4.21Å; Y199-E203 HydrophobicContact CE1-CG 4.5Å; Y199-E203 WeakPolarHBondContact CE1-OE2 3.14Å; Y199-E203 WeakPolarHBondContact O-CB 3.28Å; Y199-E203 PolarHBondContact O-N 2.92Å; Y199-E203 VanDerWaalsContact OH-CD 3.31Å; Y199-E203 PolarHBondContact OH-OE1 3.49Å; Y199-V227 HydrophobicContact CD2-CG1 4.38Å; Y199-K228 HydrophobicContact CE2-CB 3.92Å; Y199-K228 HydrophobicContact CE2-CG 4.04Å; Y199-K228 WeakPolarHBondContact OH-CD 3.37Å; Y199-K228 WeakPolarHBondContact OH-CE 3.36Å; Y199-K228 PolarHBondContact OH-NZ 3.47Å; Y199-F231 HydrophobicContact CD2-CB 4.13Å; Y199-F231 HydrophobicContact CD2-CD1 4.22Å; Y199-F231 HydrophobicContact CD2-CG 4.25Å; Y199-F231 HydrophobicContact CG-CD1 4.12Å; Y199-F231 HydrophobicContact CG-CG 4.32Å |
| 200 | L | 76.7 | Confident | 72.9 | Confident | 82 Ų | 82 | 79 Ų | 79 | 43% | 0.429 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.7 | -34 | 178.7 | -75.5 | 165.8 | 0 | 0 | 0 | 113.1 | E196 E197 E198 K204 | E196-L200 WeakPolarHBondContact O-CB 3.18Å; E196-L200 WeakPolarHBondContact O-CD1 3.06Å; E196-L200 VanDerWaalsContact O-CG 3.29Å; E196-L200 WeakPolarHBondContact O-CG 3.34Å; E196-L200 PolarHBondContact O-N 3.32Å; E197-L200 PolarHBondContact O-N 3.5Å; E198-L200 VanDerWaalsContact C-N 3.35Å; E198-L200 PolarHBondContact O-N 2.97Å; L200-K204 WeakPolarHBondContact O-CB 3.48Å; L200-K204 WeakPolarHBondContact O-CG 3.09Å; L200-K204 PolarHBondContact O-N 2.8Å |
| 201 | K | 75.9 | Confident | 72.4 | Confident | 109 Ų | 109 | 82.4 Ų | 82.4 | 47% | 0.474 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.9 | -40.2 | 172.2 | -74 | 162.6 | -177 | 161.6 | 0 | 111.6 | E197 E198 Y199 S205 | E197-K201 WeakPolarHBondContact O-CB 3.23Å; E197-K201 WeakPolarHBondContact O-CD 3.36Å; E197-K201 VanDerWaalsContact O-CG 3.28Å; E197-K201 WeakPolarHBondContact O-CG 3.5Å; E197-K201 PolarHBondContact O-N 3.26Å; E197-K201 WeakPolarHBondContact OE1-CE 3.36Å; E197-K201 IonicContact OE1-NZ 2.69Å; E197-K201 PolarHBondContact OE1-NZ 2.67Å; E197-K201 IonicContact OE2-NZ 3.52Å; E197-K201 PolarHBondContact OE2-NZ 3.35Å; E198-K201 PolarHBondContact O-N 3.02Å; Y199-K201 PolarHBondContact O-N 2.94Å; K201-S205 WeakPolarHBondContact O-CB 3.47Å; K201-S205 PolarHBondContact O-N 3.03Å; K201-S205 PolarHBondContact O-OG 2.89Å |
| 202 | L | 73.5 | Confident | 71.9 | Confident | 78 Ų | 78 | 83.5 Ų | 83.5 | 41% | 0.408 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -68 | -42 | 175.3 | -167 | 70.8 | 0 | 0 | 0 | 111.7 | E198 Y199 S205 F206 V227 | E198-L202 PolarHBondContact O-N 2.96Å; Y199-L202 PolarHBondContact O-N 3.43Å; L202-S205 WeakPolarHBondContact CA-OG 3.37Å; L202-S205 PolarHBondContact O-OG 2.78Å; L202-F206 VanDerWaalsContact O-CB 3.31Å; L202-F206 WeakPolarHBondContact O-CB 3.38Å; L202-F206 PolarHBondContact O-N 3.16Å; L202-V227 HydrophobicContact CD2-CB 4.08Å; L202-V227 HydrophobicContact CD2-CG1 3.77Å; L202-V227 HydrophobicContact CD2-CG2 3.99Å |
| 203 | E | 75.1 | Confident | 71.1 | Confident | 47 Ų | 47 | 90.7 Ų | 90.7 | 22% | 0.22 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -66.3 | -38.7 | 177.6 | -163.9 | 167.6 | -120.3 | 0 | 0 | 111.5 | Y199 F206 H207 K228 | Y199-E203 HydrophobicContact CE1-CB 4.21Å; Y199-E203 HydrophobicContact CE1-CG 4.5Å; Y199-E203 WeakPolarHBondContact CE1-OE2 3.14Å; Y199-E203 WeakPolarHBondContact O-CB 3.28Å; Y199-E203 PolarHBondContact O-N 2.92Å; Y199-E203 VanDerWaalsContact OH-CD 3.31Å; Y199-E203 PolarHBondContact OH-OE1 3.49Å; E203-F206 WeakPolarHBondContact O-CB 3.3Å; E203-H207 PolarHBondContact O-N 3.24Å; E203-H207 PolarHBondContact O-ND1 3.03Å; E203-K228 IonicContact OE1-NZ 3.54Å; E203-K228 PolarHBondContact OE1-NZ 2.94Å |
| 204 | K | 75.9 | Confident | 70.1 | Confident | 149 Ų | 149 | 92.4 Ų | 92.4 | 65% | 0.648 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -64.2 | -51.5 | 172.9 | -78.7 | 176.4 | 178.4 | 176.7 | 0 | 113 | L200 F206 H207 E208 | L200-K204 WeakPolarHBondContact O-CB 3.48Å; L200-K204 WeakPolarHBondContact O-CG 3.09Å; L200-K204 PolarHBondContact O-N 2.8Å; K204-F206 PolarHBondContact O-N 2.68Å; K204-H207 WeakPolarHBondContact O-CA 3.4Å; K204-H207 WeakPolarHBondContact O-CB 3.46Å; K204-H207 PolarHBondContact O-N 3Å; K204-E208 PolarHBondContact O-N 3.09Å |
| 205 | S | 71.3 | Confident | 68.9 | Low | 56 Ų | 56 | 93.7 Ų | 93.7 | 39% | 0.392 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.7 | -28.2 | 179.4 | 52.6 | 0 | 0 | 0 | 0 | 112.5 | K201 L202 E208 L209 | K201-S205 WeakPolarHBondContact O-CB 3.47Å; K201-S205 PolarHBondContact O-N 3.03Å; K201-S205 PolarHBondContact O-OG 2.89Å; L202-S205 WeakPolarHBondContact CA-OG 3.37Å; L202-S205 PolarHBondContact O-OG 2.78Å; S205-E208 PolarHBondContact O-N 3.12Å; S205-L209 PolarHBondContact O-N 3Å |
| 206 | F | 69.9 | Low | 68.1 | Low | 21 Ų | 21 | 97.8 Ų | 97.8 | 9% | 0.092 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 167.3 | -169.3 | -95.3 | 0 | 0 | 0 | 112 | L202 E203 K204 E208 L209 L210 L220 W221 L224 | L202-F206 VanDerWaalsContact O-CB 3.31Å; L202-F206 WeakPolarHBondContact O-CB 3.38Å; L202-F206 PolarHBondContact O-N 3.16Å; E203-F206 WeakPolarHBondContact O-CB 3.3Å; K204-F206 PolarHBondContact O-N 2.68Å; F206-E208 PolarHBondContact O-N 2.67Å; F206-L209 PolarHBondContact O-N 3.42Å; F206-L209 VanDerWaalsContact O-N 3.12Å; F206-L210 HydrophobicContact CD1-CD1 3.75Å; F206-L210 HydrophobicContact CD1-CD2 4.36Å; F206-L210 HydrophobicContact CD1-CG 3.89Å; F206-L210 HydrophobicContact CE1-CD1 3.67Å; F206-L210 HydrophobicContact CE1-CD2 3.73Å; F206-L210 HydrophobicContact CE1-CG 3.76Å; F206-L210 HydrophobicContact CZ-CD2 4.12Å; F206-L210 WeakPolarHBondContact O-CG 3.41Å; F206-L210 PolarHBondContact O-N 2.82Å; F206-L220 HydrophobicContact CD2-CD2 3.83Å; F206-L220 HydrophobicContact CE2-CB 3.82Å; F206-L220 HydrophobicContact CE2-CD2 3.64Å; F206-L220 HydrophobicContact CE2-CG 4.37Å; F206-L220 WeakPolarHBondContact CE2-O 3.45Å; F206-L220 HydrophobicContact CZ-CB 4.42Å; F206-W221 HydrophobicContact CZ-CB 4.31Å; F206-L224 HydrophobicContact CB-CD1 4.3Å; F206-L224 HydrophobicContact CD1-CD2 3.71Å; F206-L224 HydrophobicContact CD2-CB 4.28Å; F206-L224 HydrophobicContact CD2-CD1 4.38Å; F206-L224 HydrophobicContact CD2-CD2 4.4Å; F206-L224 HydrophobicContact CE1-CD2 3.81Å; F206-L224 HydrophobicContact CE2-CB 4.1Å; F206-L224 HydrophobicContact CE2-CD2 4.49Å; F206-L224 HydrophobicContact CG-CD1 4.24Å; F206-L224 HydrophobicContact CG-CD2 4.02Å; F206-L224 HydrophobicContact CZ-CB 4.36Å; F206-L224 HydrophobicContact CZ-CD2 4.22Å |
| 207 | H | 71.5 | Confident | 67.3 | Low | 105 Ų | 105 | 101.3 Ų | 101.3 | 49% | 0.486 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.7 | -36.5 | 177.3 | -75.4 | 80.1 | 0 | 0 | 0 | 112.9 | E203 K204 L209 L210 L211 | E203-H207 PolarHBondContact O-N 3.24Å; E203-H207 PolarHBondContact O-ND1 3.03Å; K204-H207 WeakPolarHBondContact O-CA 3.4Å; K204-H207 WeakPolarHBondContact O-CB 3.46Å; K204-H207 PolarHBondContact O-N 3Å; H207-L209 VanDerWaalsContact C-N 3.34Å; H207-L210 PolarHBondContact O-N 3.19Å; H207-L211 WeakPolarHBondContact O-CG 3.19Å; H207-L211 PolarHBondContact O-N 3.39Å |
| 208 | E | 70.5 | Confident | 66.9 | Low | 135 Ų | 135 | 100.8 Ų | 100.8 | 63% | 0.631 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.6 | -35.1 | 171.5 | -66.2 | -176.6 | 141.9 | 0 | 0 | 112.5 | K204 S205 F206 L211 T212 | K204-E208 PolarHBondContact O-N 3.09Å; S205-E208 PolarHBondContact O-N 3.12Å; F206-E208 PolarHBondContact O-N 2.67Å; E208-L211 PolarHBondContact O-N 2.75Å; E208-T212 WeakPolarHBondContact O-CG2 3.42Å; E208-T212 PolarHBondContact O-N 2.81Å; E208-T212 PolarHBondContact O-OG1 3.38Å |
| 209 | L | 68.6 | Low | 66.6 | Low | 77 Ų | 77 | 101.3 Ų | 101.3 | 40% | 0.403 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.5 | -36.9 | 175.8 | -149.1 | 78.3 | 0 | 0 | 0 | 112.5 | S205 F206 H207 L211 T212 K213 L220 | S205-L209 PolarHBondContact O-N 3Å; F206-L209 PolarHBondContact O-N 3.42Å; F206-L209 VanDerWaalsContact O-N 3.12Å; H207-L209 VanDerWaalsContact C-N 3.34Å; L209-L211 VanDerWaalsContact C-N 3.27Å; L209-L211 PolarHBondContact O-N 3.03Å; L209-T212 WeakPolarHBondContact CA-OG1 3.35Å; L209-T212 PolarHBondContact O-N 3.04Å; L209-T212 PolarHBondContact O-OG1 3.38Å; L209-K213 PolarHBondContact O-N 3.22Å; L209-L220 HydrophobicContact CD2-CD1 3.68Å; L209-L220 HydrophobicContact CD2-CD2 3.73Å; L209-L220 HydrophobicContact CD2-CG 4.39Å |
| 210 | L | 64.8 | Low | 66.1 | Low | 39 Ų | 39 | 103.3 Ų | 103.3 | 20% | 0.204 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -58.7 | -39.2 | 172.7 | -69.4 | 175.7 | 0 | 0 | 0 | 111.9 | F206 H207 Y217 | F206-L210 HydrophobicContact CD1-CD1 3.75Å; F206-L210 HydrophobicContact CD1-CD2 4.36Å; F206-L210 HydrophobicContact CD1-CG 3.89Å; F206-L210 HydrophobicContact CE1-CD1 3.67Å; F206-L210 HydrophobicContact CE1-CD2 3.73Å; F206-L210 HydrophobicContact CE1-CG 3.76Å; F206-L210 HydrophobicContact CZ-CD2 4.12Å; F206-L210 WeakPolarHBondContact O-CG 3.41Å; F206-L210 PolarHBondContact O-N 2.82Å; H207-L210 PolarHBondContact O-N 3.19Å; L210-Y217 HydrophobicContact CD2-CD1 4.17Å; L210-Y217 HydrophobicContact CD2-CD2 4.35Å; L210-Y217 HydrophobicContact CD2-CE1 3.61Å; L210-Y217 HydrophobicContact CD2-CE2 3.8Å; L210-Y217 VanDerWaalsContact CD2-CZ 3.41Å |
| 211 | L | 64.5 | Low | 66 | Low | 149 Ų | 149 | 105.4 Ų | 105.4 | 78% | 0.78 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -72.4 | -26.9 | 178.1 | -72.5 | 168.5 | 0 | 0 | 0 | 113.4 | H207 E208 L209 | H207-L211 WeakPolarHBondContact O-CG 3.19Å; H207-L211 PolarHBondContact O-N 3.39Å; E208-L211 PolarHBondContact O-N 2.75Å; L209-L211 VanDerWaalsContact C-N 3.27Å; L209-L211 PolarHBondContact O-N 3.03Å |
| 212 | T | 61.7 | Low | 66 | Low | 100 Ų | 100 | 105.4 Ų | 105.4 | 61% | 0.613 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -101.9 | -25.6 | -171.5 | 51 | 0 | 0 | 0 | 0 | 115.2 | E208 L209 | E208-T212 WeakPolarHBondContact O-CG2 3.42Å; E208-T212 PolarHBondContact O-N 2.81Å; E208-T212 PolarHBondContact O-OG1 3.38Å; L209-T212 WeakPolarHBondContact CA-OG1 3.35Å; L209-T212 PolarHBondContact O-N 3.04Å; L209-T212 PolarHBondContact O-OG1 3.38Å |
| 213 | K | 54.6 | Low | 65.8 | Low | 159 Ų | 159 | 107.2 Ų | 107.2 | 69% | 0.691 | 53% | 0.529 | S | S | * | . | trans | -145.5 | 99.8 | -178.4 | -66.9 | -174.5 | -178.4 | 173.2 | 0 | 114.5 | L209 A215 | L209-K213 PolarHBondContact O-N 3.22Å; K213-A215 VanDerWaalsContact C-N 3.27Å; K213-A215 PolarHBondContact O-N 2.92Å | ||
| 214 | H | 53.1 | Low | 65.7 | Low | 155 Ų | 155 | 106.1 Ų | 106.1 | 72% | 0.718 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -61.1 | -23.9 | 175.8 | -70.9 | -17.3 | 0 | 0 | 0 | 115.7 | R216 | H214-R216 PolarHBondContact O-N 2.73Š|
| 215 | A | 48.3 | Very low | 65.8 | Low | 96 Ų | 96 | 102.1 Ų | 102.1 | 79% | 0.793 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -80.8 | 4.7 | -159.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | K213 | K213-A215 VanDerWaalsContact C-N 3.27Å; K213-A215 PolarHBondContact O-N 2.92Å |
| 216 | R | 56.4 | Low | 65.8 | Low | 207 Ų | 207 | 102.1 Ų | 102.1 | 78% | 0.781 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -141.1 | 27 | -177.2 | -69.5 | -168.5 | 176.2 | -177.5 | -1.3 | 115.5 | H214 V218 L220 | H214-R216 PolarHBondContact O-N 2.73Å; R216-V218 PolarHBondContact O-N 2.73Å; R216-L220 HydrophobicContact CB-CD1 4.48Å |
| 217 | Y | 59 | Low | 66 | Low | 113 Ų | 113 | 103.4 Ų | 103.4 | 44% | 0.443 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -48.7 | -53.1 | -171.9 | -109.9 | -111.6 | 0 | 0 | 0 | 116 | L210 L220 W221 | L210-Y217 HydrophobicContact CD2-CD1 4.17Å; L210-Y217 HydrophobicContact CD2-CD2 4.35Å; L210-Y217 HydrophobicContact CD2-CE1 3.61Å; L210-Y217 HydrophobicContact CD2-CE2 3.8Å; L210-Y217 VanDerWaalsContact CD2-CZ 3.41Å; Y217-L220 PolarHBondContact O-N 2.96Å; Y217-W221 PolarHBondContact O-N 2.81Å |
| 218 | V | 65.9 | Low | 66.2 | Low | 94 Ų | 94 | 103.3 Ų | 103.3 | 57% | 0.57 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.4 | -53.5 | -163.3 | 177.5 | 0 | 0 | 0 | 0 | 113.1 | R216 L220 W221 H222 | R216-V218 PolarHBondContact O-N 2.73Å; V218-L220 VanDerWaalsContact C-N 3.27Å; V218-L220 PolarHBondContact O-N 3.34Å; V218-W221 PolarHBondContact O-N 3.05Å; V218-H222 PolarHBondContact O-CD2 3.48Å; V218-H222 PolarHBondContact O-N 3.34Å; V218-H222 VanDerWaalsContact O-N 3.08Å |
| 219 | N | 66.3 | Low | 66.4 | Low | 137 Ų | 137 | 105.3 Ų | 105.3 | 73% | 0.733 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.9 | -35.6 | -177.2 | -64.4 | 16.3 | 0 | 0 | 0 | 112.2 | L223 | N219-L223 PolarHBondContact O-N 2.93Å |
| 220 | L | 65.3 | Low | 66.6 | Low | 61 Ų | 61 | 106.2 Ų | 106.2 | 32% | 0.319 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.9 | -42.7 | 178.7 | -109.6 | 143.8 | 0 | 0 | 0 | 110.7 | F206 L209 R216 Y217 V218 H222 L223 L224 | F206-L220 HydrophobicContact CD2-CD2 3.83Å; F206-L220 HydrophobicContact CE2-CB 3.82Å; F206-L220 HydrophobicContact CE2-CD2 3.64Å; F206-L220 HydrophobicContact CE2-CG 4.37Å; F206-L220 WeakPolarHBondContact CE2-O 3.45Å; F206-L220 HydrophobicContact CZ-CB 4.42Å; L209-L220 HydrophobicContact CD2-CD1 3.68Å; L209-L220 HydrophobicContact CD2-CD2 3.73Å; L209-L220 HydrophobicContact CD2-CG 4.39Å; R216-L220 HydrophobicContact CB-CD1 4.48Å; Y217-L220 PolarHBondContact O-N 2.96Å; V218-L220 VanDerWaalsContact C-N 3.27Å; V218-L220 PolarHBondContact O-N 3.34Å; L220-H222 PolarHBondContact O-N 2.99Å; L220-L223 WeakPolarHBondContact O-CB 3.48Å; L220-L223 PolarHBondContact O-N 3.16Å; L220-L224 PolarHBondContact O-N 2.91Å; L220-L224 VanDerWaalsContact O-N 3.07Å |
| 221 | W | 73.7 | Confident | 67 | Low | 126 Ų | 126 | 105.8 Ų | 105.8 | 48% | 0.477 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.7 | -38.3 | 176.2 | -174.2 | 86.9 | 0 | 0 | 0 | 112.7 | F206 Y217 V218 L223 L224 Q225 | F206-W221 HydrophobicContact CZ-CB 4.31Å; Y217-W221 PolarHBondContact O-N 2.81Å; V218-W221 PolarHBondContact O-N 3.05Å; W221-L223 VanDerWaalsContact C-N 3.33Å; W221-L223 PolarHBondContact O-N 3.05Å; W221-L224 PolarHBondContact O-N 2.87Å; W221-Q225 HydrophobicContact CD2-CG 4.1Å; W221-Q225 HydrophobicContact CE3-CG 3.95Å; W221-Q225 HydrophobicContact CH2-CG 3.9Å; W221-Q225 HydrophobicContact CZ2-CG 4.03Å; W221-Q225 HydrophobicContact CZ3-CG 3.85Å; W221-Q225 WeakPolarHBondContact O-CG 3.27Å; W221-Q225 PolarHBondContact O-N 2.72Å |
| 222 | H | 76.4 | Confident | 67.4 | Low | 109 Ų | 109 | 101.5 Ų | 101.5 | 51% | 0.505 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.7 | -35 | 172.6 | -74.9 | -61.5 | 0 | 0 | 0 | 113 | V218 L220 Q225 S226 | V218-H222 PolarHBondContact O-CD2 3.48Å; V218-H222 PolarHBondContact O-N 3.34Å; V218-H222 VanDerWaalsContact O-N 3.08Å; L220-H222 PolarHBondContact O-N 2.99Å; H222-Q225 WeakPolarHBondContact O-CB 3.37Å; H222-Q225 PolarHBondContact O-N 3.38Å; H222-S226 PolarHBondContact O-N 3.14Å; H222-S226 VanDerWaalsContact O-N 3.07Å |
| 223 | L | 68.5 | Low | 67.9 | Low | 116 Ų | 116 | 99.7 Ų | 99.7 | 61% | 0.607 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.1 | -44.2 | 175.1 | -169.9 | 67 | 0 | 0 | 0 | 111.5 | N219 L220 W221 Q225 S226 V227 | N219-L223 PolarHBondContact O-N 2.93Å; L220-L223 WeakPolarHBondContact O-CB 3.48Å; L220-L223 PolarHBondContact O-N 3.16Å; W221-L223 VanDerWaalsContact C-N 3.33Å; W221-L223 PolarHBondContact O-N 3.05Å; L223-Q225 VanDerWaalsContact C-N 3.33Å; L223-Q225 PolarHBondContact O-N 2.92Å; L223-S226 WeakPolarHBondContact O-CB 3.43Å; L223-S226 PolarHBondContact O-N 3.45Å; L223-S226 VanDerWaalsContact O-N 3.14Å; L223-V227 PolarHBondContact O-N 3.18Å; L223-V227 VanDerWaalsContact O-N 3.14Å |
| 224 | L | 73.9 | Confident | 68.7 | Low | 24 Ų | 24 | 94.3 Ų | 94.3 | 13% | 0.126 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -61.5 | -40.8 | 174.7 | -170.4 | 76.4 | 0 | 0 | 0 | 111.8 | F206 L220 W221 S226 V227 K228 | F206-L224 HydrophobicContact CB-CD1 4.3Å; F206-L224 HydrophobicContact CD1-CD2 3.71Å; F206-L224 HydrophobicContact CD2-CB 4.28Å; F206-L224 HydrophobicContact CD2-CD1 4.38Å; F206-L224 HydrophobicContact CD2-CD2 4.4Å; F206-L224 HydrophobicContact CE1-CD2 3.81Å; F206-L224 HydrophobicContact CE2-CB 4.1Å; F206-L224 HydrophobicContact CE2-CD2 4.49Å; F206-L224 HydrophobicContact CG-CD1 4.24Å; F206-L224 HydrophobicContact CG-CD2 4.02Å; F206-L224 HydrophobicContact CZ-CB 4.36Å; F206-L224 HydrophobicContact CZ-CD2 4.22Å; L220-L224 PolarHBondContact O-N 2.91Å; L220-L224 VanDerWaalsContact O-N 3.07Å; W221-L224 PolarHBondContact O-N 2.87Å; L224-S226 VanDerWaalsContact C-N 3.3Å; L224-S226 PolarHBondContact O-N 2.82Å; L224-V227 PolarHBondContact O-N 2.87Å; L224-K228 WeakPolarHBondContact O-CB 3.45Å; L224-K228 PolarHBondContact O-N 2.86Å |
| 225 | Q | 77.4 | Confident | 69.5 | Low | 65 Ų | 65 | 87.8 Ų | 87.8 | 30% | 0.304 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.1 | -35.4 | 173.5 | -80.5 | -82.4 | -11.6 | 0 | 0 | 113 | W221 H222 L223 R229 | W221-Q225 HydrophobicContact CD2-CG 4.1Å; W221-Q225 HydrophobicContact CE3-CG 3.95Å; W221-Q225 HydrophobicContact CH2-CG 3.9Å; W221-Q225 HydrophobicContact CZ2-CG 4.03Å; W221-Q225 HydrophobicContact CZ3-CG 3.85Å; W221-Q225 WeakPolarHBondContact O-CG 3.27Å; W221-Q225 PolarHBondContact O-N 2.72Å; H222-Q225 WeakPolarHBondContact O-CB 3.37Å; H222-Q225 PolarHBondContact O-N 3.38Å; L223-Q225 VanDerWaalsContact C-N 3.33Å; L223-Q225 PolarHBondContact O-N 2.92Å; Q225-R229 WeakPolarHBondContact O-CG 3.36Å; Q225-R229 PolarHBondContact O-N 3.47Å |
| 226 | S | 70.8 | Confident | 70.4 | Confident | 57 Ų | 57 | 86.7 Ų | 86.7 | 40% | 0.399 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65 | -58.8 | 173.4 | -163.9 | 0 | 0 | 0 | 0 | 110.6 | H222 L223 L224 K228 R229 D230 | H222-S226 PolarHBondContact O-N 3.14Å; H222-S226 VanDerWaalsContact O-N 3.07Å; L223-S226 WeakPolarHBondContact O-CB 3.43Å; L223-S226 PolarHBondContact O-N 3.45Å; L223-S226 VanDerWaalsContact O-N 3.14Å; L224-S226 VanDerWaalsContact C-N 3.3Å; L224-S226 PolarHBondContact O-N 2.82Å; S226-K228 PolarHBondContact O-N 3.29Å; S226-K228 VanDerWaalsContact O-N 3.09Å; S226-R229 WeakPolarHBondContact O-CA 3.27Å; S226-R229 WeakPolarHBondContact O-CB 3.38Å; S226-R229 PolarHBondContact O-N 2.81Å; S226-D230 VanDerWaalsContact O-CG 3.24Å; S226-D230 PolarHBondContact O-N 2.9Å; S226-D230 PolarHBondContact OG-OD2 2.99Å; S226-D230 VanDerWaalsContact OG-OD2 3.08Å |
| 227 | V | 74.3 | Confident | 71.2 | Confident | 47 Ų | 47 | 80.6 Ų | 80.6 | 29% | 0.285 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -58.3 | -33.4 | -175.9 | -178.1 | 0 | 0 | 0 | 0 | 111.8 | Y199 L202 L223 L224 D230 F231 | Y199-V227 HydrophobicContact CD2-CG1 4.38Å; L202-V227 HydrophobicContact CD2-CB 4.08Å; L202-V227 HydrophobicContact CD2-CG1 3.77Å; L202-V227 HydrophobicContact CD2-CG2 3.99Å; L223-V227 PolarHBondContact O-N 3.18Å; L223-V227 VanDerWaalsContact O-N 3.14Å; L224-V227 PolarHBondContact O-N 2.87Å; V227-D230 PolarHBondContact O-N 3.28Å; V227-F231 VanDerWaalsContact O-CB 3.32Å; V227-F231 WeakPolarHBondContact O-CB 3.45Å; V227-F231 PolarHBondContact O-N 3.18Å |
| 228 | K | 75.7 | Confident | 71.5 | Confident | 104 Ų | 104 | 75.7 Ų | 75.7 | 45% | 0.452 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.4 | -36.1 | 173.8 | -166.1 | 168 | -163.1 | 132 | 0 | 113.6 | Y199 E203 L224 S226 S232 | Y199-K228 HydrophobicContact CE2-CB 3.92Å; Y199-K228 HydrophobicContact CE2-CG 4.04Å; Y199-K228 WeakPolarHBondContact OH-CD 3.37Å; Y199-K228 WeakPolarHBondContact OH-CE 3.36Å; Y199-K228 PolarHBondContact OH-NZ 3.47Å; E203-K228 IonicContact OE1-NZ 3.54Å; E203-K228 PolarHBondContact OE1-NZ 2.94Å; L224-K228 WeakPolarHBondContact O-CB 3.45Å; L224-K228 PolarHBondContact O-N 2.86Å; S226-K228 PolarHBondContact O-N 3.29Å; S226-K228 VanDerWaalsContact O-N 3.09Å; K228-S232 VanDerWaalsContact O-CB 3.29Å; K228-S232 WeakPolarHBondContact O-CB 3.39Å; K228-S232 PolarHBondContact O-N 2.83Å; K228-S232 VanDerWaalsContact O-N 3.12Å |
| 229 | R | 75.5 | Confident | 71.3 | Confident | 177 Ų | 177 | 72.9 Ų | 72.9 | 67% | 0.668 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -72 | -44 | 172.8 | -70.1 | 172.1 | -178.6 | -169.7 | -2 | 111.2 | Q225 S226 F231 S232 A233 | Q225-R229 WeakPolarHBondContact O-CG 3.36Å; Q225-R229 PolarHBondContact O-N 3.47Å; S226-R229 WeakPolarHBondContact O-CA 3.27Å; S226-R229 WeakPolarHBondContact O-CB 3.38Å; S226-R229 PolarHBondContact O-N 2.81Å; R229-F231 PolarHBondContact O-N 3.46Å; R229-S232 WeakPolarHBondContact O-CB 3.21Å; R229-S232 PolarHBondContact O-N 3.02Å; R229-S232 VanDerWaalsContact O-N 3.14Å; R229-A233 PolarHBondContact O-N 2.99Å |
| 230 | D | 72.5 | Confident | 71.4 | Confident | 95 Ų | 95 | 72.7 Ų | 72.7 | 51% | 0.508 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | -178.7 | -56.8 | -39.8 | 0 | 0 | 0 | 110.9 | S226 V227 A233 F234 | S226-D230 VanDerWaalsContact O-CG 3.24Å; S226-D230 PolarHBondContact O-N 2.9Å; S226-D230 PolarHBondContact OG-OD2 2.99Å; S226-D230 VanDerWaalsContact OG-OD2 3.08Å; V227-D230 PolarHBondContact O-N 3.28Å; D230-A233 PolarHBondContact O-N 2.86Å; D230-F234 PolarHBondContact O-N 3.45Å; D230-F234 VanDerWaalsContact O-N 3.08Å |
| 231 | F | 73.9 | Confident | 71.4 | Confident | 31 Ų | 31 | 73 Ų | 73 | 14% | 0.136 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 171.8 | 179.9 | -109.2 | 0 | 0 | 0 | 112.5 | R195 E196 Y199 V227 R229 A233 F234 R235 | R195-F231 HydrophobicContact CB-CD2 4.41Å; R195-F231 HydrophobicContact CB-CE2 4.12Å; E196-F231 HydrophobicContact CB-CE2 4.2Å; E196-F231 HydrophobicContact CB-CZ 3.73Å; E196-F231 HydrophobicContact CG-CE1 4.48Å; E196-F231 HydrophobicContact CG-CZ 3.87Å; Y199-F231 HydrophobicContact CD2-CB 4.13Å; Y199-F231 HydrophobicContact CD2-CD1 4.22Å; Y199-F231 HydrophobicContact CD2-CG 4.25Å; Y199-F231 HydrophobicContact CG-CD1 4.12Å; Y199-F231 HydrophobicContact CG-CG 4.32Å; V227-F231 VanDerWaalsContact O-CB 3.32Å; V227-F231 WeakPolarHBondContact O-CB 3.45Å; V227-F231 PolarHBondContact O-N 3.18Å; R229-F231 PolarHBondContact O-N 3.46Å; F231-A233 VanDerWaalsContact C-N 3.33Å; F231-A233 PolarHBondContact O-N 2.95Å; F231-F234 HydrophobicContact CD2-CD1 4.45Å; F231-F234 PolarHBondContact O-N 2.99Å; F231-R235 VanDerWaalsContact O-CB 3.28Å; F231-R235 WeakPolarHBondContact O-CB 3.5Å; F231-R235 PolarHBondContact O-N 3.48Å |
| 232 | S | 73 | Confident | 70.7 | Confident | 58 Ų | 58 | 68 Ų | 68 | 41% | 0.406 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.4 | -36.1 | 176.5 | -169.1 | 0 | 0 | 0 | 0 | 112.8 | K228 R229 S236 | K228-S232 VanDerWaalsContact O-CB 3.29Å; K228-S232 WeakPolarHBondContact O-CB 3.39Å; K228-S232 PolarHBondContact O-N 2.83Å; K228-S232 VanDerWaalsContact O-N 3.12Å; R229-S232 WeakPolarHBondContact O-CB 3.21Å; R229-S232 PolarHBondContact O-N 3.02Å; R229-S232 VanDerWaalsContact O-N 3.14Å; S232-S236 PolarHBondContact O-N 3.48Å; S232-S236 VanDerWaalsContact O-N 3.08Å; S232-S236 PolarHBondContact O-OG 3.48Å |
| 233 | A | 72 | Confident | 70 | Confident | 63 Ų | 63 | 71 Ų | 71 | 52% | 0.521 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68 | -47.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | R229 D230 F231 R235 S236 E237 | R229-A233 PolarHBondContact O-N 2.99Å; D230-A233 PolarHBondContact O-N 2.86Å; F231-A233 VanDerWaalsContact C-N 3.33Å; F231-A233 PolarHBondContact O-N 2.95Å; A233-R235 PolarHBondContact O-N 3.21Å; A233-S236 PolarHBondContact O-N 3.41Å; A233-E237 PolarHBondContact O-N 3.05Å |
| 234 | F | 71.3 | Confident | 69.7 | Low | 46 Ų | 46 | 69.1 Ų | 69.1 | 20% | 0.202 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59 | -45.2 | 175.1 | 169.7 | -112.6 | 0 | 0 | 0 | 112.5 | R195 D230 F231 S236 E237 I238 | R195-F234 HydrophobicContact CB-CD1 4.48Å; R195-F234 HydrophobicContact CB-CE1 4Å; R195-F234 HydrophobicContact CG-CE1 4.22Å; R195-F234 VanDerWaalsContact NH1-CZ 3.28Å; D230-F234 PolarHBondContact O-N 3.45Å; D230-F234 VanDerWaalsContact O-N 3.08Å; F231-F234 HydrophobicContact CD2-CD1 4.45Å; F231-F234 PolarHBondContact O-N 2.99Å; F234-S236 PolarHBondContact O-N 2.82Å; F234-E237 PolarHBondContact O-N 3Å; F234-I238 HydrophobicContact CD2-CD1 4.41Å; F234-I238 HydrophobicContact CE1-CD1 4.11Å; F234-I238 HydrophobicContact CE2-CD1 3.47Å; F234-I238 VanDerWaalsContact CE2-CD1 3.47Å; F234-I238 HydrophobicContact CE2-CG1 3.97Å; F234-I238 HydrophobicContact CZ-CD1 3.29Å; F234-I238 HydrophobicContact CZ-CG1 4.23Å; F234-I238 PolarHBondContact O-N 2.92Å; F234-I238 VanDerWaalsContact O-N 3.14Å |
| 235 | R | 68.4 | Low | 69 | Low | 18 Ų | 18 | 69.9 Ų | 69.9 | 7% | 0.068 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.5 | -48.9 | 175.2 | -176.2 | -172.5 | -176.4 | 100 | 6.9 | 111.2 | L192 E196 F231 A233 E237 F239 | L192-R235 HydrophobicContact CD1-CG 4.5Å; E196-R235 IonicContact OE1-CZ 3.53Å; E196-R235 IonicContact OE1-NH1 2.75Å; E196-R235 PolarHBondContact OE1-NH1 3.39Å; F231-R235 VanDerWaalsContact O-CB 3.28Å; F231-R235 WeakPolarHBondContact O-CB 3.5Å; F231-R235 PolarHBondContact O-N 3.48Å; A233-R235 PolarHBondContact O-N 3.21Å; R235-E237 VanDerWaalsContact C-N 3.34Å; R235-E237 PolarHBondContact O-N 3.34Å; R235-F239 HydrophobicContact CG-CD2 3.91Å; R235-F239 HydrophobicContact CG-CE2 3.72Å; R235-F239 WeakPolarHBondContact O-CD2 3.27Å; R235-F239 PolarHBondContact O-N 2.93Å; R235-F239 VanDerWaalsContact O-N 3.16Å |
| 236 | S | 68.4 | Low | 67.8 | Low | 72 Ų | 72 | 69.5 Ų | 69.5 | 50% | 0.503 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.9 | -39.2 | 178.2 | -72.2 | 0 | 0 | 0 | 0 | 112.9 | S232 A233 F234 F239 R240 | S232-S236 PolarHBondContact O-N 3.48Å; S232-S236 VanDerWaalsContact O-N 3.08Å; S232-S236 PolarHBondContact O-OG 3.48Å; A233-S236 PolarHBondContact O-N 3.41Å; F234-S236 PolarHBondContact O-N 2.82Å; S236-F239 PolarHBondContact O-N 2.85Å; S236-R240 WeakPolarHBondContact O-CB 3.48Å; S236-R240 PolarHBondContact O-N 2.78Å |
| 237 | E | 71.9 | Confident | 67.3 | Low | 80 Ų | 80 | 68.9 Ų | 68.9 | 37% | 0.374 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.9 | -40.1 | -178.8 | -178.7 | 61 | -176.6 | 0 | 0 | 112.7 | A233 F234 R235 R240 M241 | A233-E237 PolarHBondContact O-N 3.05Å; F234-E237 PolarHBondContact O-N 3Å; R235-E237 VanDerWaalsContact C-N 3.34Å; R235-E237 PolarHBondContact O-N 3.34Å; E237-R240 WeakPolarHBondContact O-CB 3.39Å; E237-R240 PolarHBondContact O-N 2.86Å; E237-R240 IonicContact OE1-CZ 2.8Å; E237-R240 IonicContact OE1-NE 2.77Å; E237-R240 IonicContact OE1-NH2 3.64Å; E237-R240 PolarHBondContact OE1-NH2 3.44Å; E237-R240 IonicContact OE2-CZ 3.36Å; E237-R240 IonicContact OE2-NE 3.85Å; E237-R240 PolarHBondContact OE2-NE 2.93Å; E237-R240 IonicContact OE2-NH2 2.68Å; E237-R240 PolarHBondContact OE2-NH2 3.31Å; E237-M241 PolarHBondContact O-N 3.4Å |
| 238 | I | 65.7 | Low | 66.5 | Low | 9 Ų | 9 | 71.4 Ų | 71.4 | 5% | 0.046 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 172.2 | -73.3 | -172.7 | 0 | 0 | 0 | 111.1 | L192 F234 R240 M241 L242 | L192-I238 HydrophobicContact CB-CD1 4.12Å; L192-I238 HydrophobicContact CD1-CB 3.96Å; L192-I238 HydrophobicContact CD1-CD1 4.31Å; L192-I238 HydrophobicContact CD1-CG2 3.72Å; F234-I238 HydrophobicContact CD2-CD1 4.41Å; F234-I238 HydrophobicContact CE1-CD1 4.11Å; F234-I238 HydrophobicContact CE2-CD1 3.47Å; F234-I238 VanDerWaalsContact CE2-CD1 3.47Å; F234-I238 HydrophobicContact CE2-CG1 3.97Å; F234-I238 HydrophobicContact CZ-CD1 3.29Å; F234-I238 HydrophobicContact CZ-CG1 4.23Å; F234-I238 PolarHBondContact O-N 2.92Å; F234-I238 VanDerWaalsContact O-N 3.14Å; I238-R240 VanDerWaalsContact C-N 3.25Å; I238-R240 PolarHBondContact O-N 3.21Å; I238-M241 HydrophobicContact CG1-CE 4.11Å; I238-M241 PolarHBondContact O-N 3Å; I238-L242 HydrophobicContact CG2-CD1 3.76Å; I238-L242 HydrophobicContact CG2-CG 4.23Å; I238-L242 WeakPolarHBondContact O-CB 3.44Å; I238-L242 VanDerWaalsContact O-CG 3.29Å; I238-L242 WeakPolarHBondContact O-CG 3.29Å; I238-L242 PolarHBondContact O-N 3.45Å |
| 239 | F | 63.3 | Low | 65.4 | Low | 36 Ų | 36 | 68.2 Ų | 68.2 | 16% | 0.158 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.9 | -29.4 | 175 | -78.3 | -61 | 0 | 0 | 0 | 113.3 | L192 R235 S236 L242 R243 T397 | L192-F239 HydrophobicContact CD1-CE2 4.42Å; R235-F239 HydrophobicContact CG-CD2 3.91Å; R235-F239 HydrophobicContact CG-CE2 3.72Å; R235-F239 WeakPolarHBondContact O-CD2 3.27Å; R235-F239 PolarHBondContact O-N 2.93Å; R235-F239 VanDerWaalsContact O-N 3.16Å; S236-F239 PolarHBondContact O-N 2.85Å; F239-L242 HydrophobicContact CD1-CD1 4.17Å; F239-R243 WeakPolarHBondContact O-CB 3.25Å; F239-R243 PolarHBondContact O-N 3.35Å; F239-R243 VanDerWaalsContact O-N 3.13Å; F239-T397 HydrophobicContact CZ-CG2 4.37Å |
| 240 | R | 67.4 | Low | 64.3 | Low | 132 Ų | 132 | 62.5 Ų | 62.5 | 50% | 0.498 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.5 | -50.7 | 172.7 | -167.7 | -174.8 | 69.2 | 78.2 | 0.7 | 111.1 | S236 E237 I238 L242 R243 C244 | S236-R240 WeakPolarHBondContact O-CB 3.48Å; S236-R240 PolarHBondContact O-N 2.78Å; E237-R240 WeakPolarHBondContact O-CB 3.39Å; E237-R240 PolarHBondContact O-N 2.86Å; E237-R240 IonicContact OE1-CZ 2.8Å; E237-R240 IonicContact OE1-NE 2.77Å; E237-R240 IonicContact OE1-NH2 3.64Å; E237-R240 PolarHBondContact OE1-NH2 3.44Å; E237-R240 IonicContact OE2-CZ 3.36Å; E237-R240 IonicContact OE2-NE 3.85Å; E237-R240 PolarHBondContact OE2-NE 2.93Å; E237-R240 IonicContact OE2-NH2 2.68Å; E237-R240 PolarHBondContact OE2-NH2 3.31Å; I238-R240 VanDerWaalsContact C-N 3.25Å; I238-R240 PolarHBondContact O-N 3.21Å; R240-L242 PolarHBondContact O-N 2.96Å; R240-R243 PolarHBondContact O-N 3.44Å; R240-C244 PolarHBondContact O-N 2.86Å; R240-C244 VanDerWaalsContact O-N 3.11Å; R240-C244 PolarHBondContact O-SG 3.36Å; R240-C244 VanDerWaalsContact O-SG 3.38Å |
| 241 | M | 64.6 | Low | 63.7 | Low | 67 Ų | 67 | 64.5 Ų | 64.5 | 33% | 0.33 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 177.9 | -68.4 | -170.6 | -68.8 | 0 | 0 | 112.4 | W184 E237 I238 R243 C244 M245 | W184-M241 HydrophobicContact CH2-CB 4.01Å; W184-M241 HydrophobicContact CZ2-CB 4.27Å; W184-M241 HydrophobicContact CZ2-SD 4.39Å; E237-M241 PolarHBondContact O-N 3.4Å; I238-M241 HydrophobicContact CG1-CE 4.11Å; I238-M241 PolarHBondContact O-N 3Å; M241-R243 VanDerWaalsContact C-N 3.31Å; M241-R243 PolarHBondContact O-N 3.42Å; M241-C244 PolarHBondContact O-N 2.91Å; M241-M245 PolarHBondContact O-N 3.15Å; M241-M245 VanDerWaalsContact O-N 3.14Å |
| 242 | L | 60.3 | Low | 62.7 | Low | 23 Ų | 23 | 63.8 Ų | 63.8 | 12% | 0.12 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57.6 | -42.3 | 175.3 | -74.2 | 169.4 | 0 | 0 | 0 | 112.2 | W184 W185 I238 F239 R240 M245 D246 | W184-L242 HydrophobicContact CH2-CD2 4.49Å; W184-L242 HydrophobicContact CZ3-CD2 4.02Å; W185-L242 VanDerWaalsContact CD1-CD2 3.45Å; I238-L242 HydrophobicContact CG2-CD1 3.76Å; I238-L242 HydrophobicContact CG2-CG 4.23Å; I238-L242 WeakPolarHBondContact O-CB 3.44Å; I238-L242 VanDerWaalsContact O-CG 3.29Å; I238-L242 WeakPolarHBondContact O-CG 3.29Å; I238-L242 PolarHBondContact O-N 3.45Å; F239-L242 HydrophobicContact CD1-CD1 4.17Å; R240-L242 PolarHBondContact O-N 2.96Å; L242-M245 PolarHBondContact O-N 2.86Å; L242-D246 PolarHBondContact O-N 3.3Å |
| 243 | R | 61 | Low | 61.6 | Low | 170 Ų | 170 | 62.6 Ų | 62.6 | 64% | 0.642 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -70.8 | -30.8 | 179.7 | -161.7 | -174 | -58.9 | -175.5 | 1.9 | 112.8 | F239 R240 M241 | F239-R243 WeakPolarHBondContact O-CB 3.25Å; F239-R243 PolarHBondContact O-N 3.35Å; F239-R243 VanDerWaalsContact O-N 3.13Å; R240-R243 PolarHBondContact O-N 3.44Å; M241-R243 VanDerWaalsContact C-N 3.31Å; M241-R243 PolarHBondContact O-N 3.42Å |
| 244 | C | 62 | Low | 60.9 | Low | 78 Ų | 78 | 66.4 Ų | 66.4 | 53% | 0.527 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.7 | -45.2 | 171.9 | -66.1 | 0 | 0 | 0 | 0 | 111.6 | R240 M241 D246 | R240-C244 PolarHBondContact O-N 2.86Å; R240-C244 VanDerWaalsContact O-N 3.11Å; R240-C244 PolarHBondContact O-SG 3.36Å; R240-C244 VanDerWaalsContact O-SG 3.38Å; M241-C244 PolarHBondContact O-N 2.91Å; C244-D246 PolarHBondContact O-N 2.95Å |
| 245 | M | 59.9 | Low | 60.1 | Low | 40 Ų | 40 | 71.1 Ų | 71.1 | 20% | 0.197 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -74.1 | -23.5 | -174.8 | -73.6 | -176.9 | 63 | 0 | 0 | 114.9 | M181 W184 M241 L242 G247 D248 I249 | M181-M245 HydrophobicContact CB-CE 4.28Å; M181-M245 HydrophobicContact CG-CE 3.8Å; M181-M245 HydrophobicContact SD-CE 3.93Å; W184-M245 HydrophobicContact CD2-CE 4.36Å; W184-M245 HydrophobicContact CD2-SD 4.03Å; W184-M245 HydrophobicContact CE3-CE 3.84Å; W184-M245 HydrophobicContact CE3-SD 3.56Å; W184-M245 VanDerWaalsContact CE3-SD 3.56Å; W184-M245 HydrophobicContact CH2-SD 3.59Å; W184-M245 VanDerWaalsContact CH2-SD 3.59Å; W184-M245 HydrophobicContact CZ2-SD 4.02Å; W184-M245 HydrophobicContact CZ3-CE 4.13Å; W184-M245 HydrophobicContact CZ3-SD 3.33Å; W184-M245 WeakPolarHBondContact CZ3-SD 3.36Å; M241-M245 PolarHBondContact O-N 3.15Å; M241-M245 VanDerWaalsContact O-N 3.14Å; L242-M245 PolarHBondContact O-N 2.86Å; M245-G247 PolarHBondContact O-N 2.95Å; M245-D248 PolarHBondContact O-N 2.94Å; M245-D248 VanDerWaalsContact O-N 3.08Å; M245-I249 WeakPolarHBondContact O-CG1 3.31Å; M245-I249 PolarHBondContact O-N 2.92Å |
| 246 | D | 52.5 | Low | 59.3 | Low | 57 Ų | 57 | 71 Ų | 71 | 31% | 0.305 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -56.5 | -37.6 | 178.4 | -176.1 | 29.1 | 0 | 0 | 0 | 112.1 | L242 C244 I249 Q250 | L242-D246 PolarHBondContact O-N 3.3Å; C244-D246 PolarHBondContact O-N 2.95Å; D246-I249 PolarHBondContact O-N 3.3Å; D246-Q250 WeakPolarHBondContact O-CB 3.5Å; D246-Q250 WeakPolarHBondContact O-CG 3.5Å; D246-Q250 PolarHBondContact O-N 3.49Å; D246-Q250 PolarHBondContact OD1-NE2 3.32Å; D246-Q250 VanDerWaalsContact OD1-NE2 3.08Å; D246-Q250 PolarHBondContact OD2-NE2 2.84Å |
| 247 | G | 59.6 | Low | 58.4 | Low | 44 Ų | 44 | 68.9 Ų | 68.9 | 45% | 0.454 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.6 | -46 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | M245 Q250 Q251 | M245-G247 PolarHBondContact O-N 2.95Å; G247-Q250 PolarHBondContact O-N 3.37Å; G247-Q251 WeakPolarHBondContact O-CB 3.34Å; G247-Q251 PolarHBondContact O-N 3.39Å |
| 248 | D | 58 | Low | 57.7 | Low | 99 Ų | 99 | 70 Ų | 70 | 53% | 0.529 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.9 | -41.8 | 178 | -62.1 | -39.2 | 0 | 0 | 0 | 111.4 | M245 Q251 G252 | M245-D248 PolarHBondContact O-N 2.94Å; M245-D248 VanDerWaalsContact O-N 3.08Å; D248-Q251 PolarHBondContact O-N 3.46Å; D248-G252 PolarHBondContact O-N 3.24Å |
| 249 | I | 51.8 | Low | 57.1 | Low | 38 Ų | 38 | 71.6 Ų | 71.6 | 20% | 0.195 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60 | -50 | 175.8 | -65.2 | 169.5 | 0 | 0 | 0 | 110.1 | M181 M245 D246 Q251 G252 I253 | M181-I249 HydrophobicContact CE-CB 4.48Å; M181-I249 HydrophobicContact CE-CG1 3.75Å; M181-I249 HydrophobicContact SD-CG1 3.65Å; M245-I249 WeakPolarHBondContact O-CG1 3.31Å; M245-I249 PolarHBondContact O-N 2.92Å; D246-I249 PolarHBondContact O-N 3.3Å; I249-Q251 PolarHBondContact O-N 3.25Å; I249-G252 PolarHBondContact O-N 2.78Å; I249-I253 HydrophobicContact CG2-CD1 3.77Å; I249-I253 HydrophobicContact CG2-CG1 4.46Å; I249-I253 VanDerWaalsContact O-CG1 3.3Å; I249-I253 WeakPolarHBondContact O-CG1 3.14Å; I249-I253 PolarHBondContact O-N 3.34Å |
| 250 | Q | 53.4 | Low | 56.6 | Low | 56 Ų | 56 | 72.1 Ų | 72.1 | 26% | 0.262 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 179.2 | -71.7 | -176.8 | 38.5 | 0 | 0 | 112.4 | D246 G247 I253 R254 | D246-Q250 WeakPolarHBondContact O-CB 3.5Å; D246-Q250 WeakPolarHBondContact O-CG 3.5Å; D246-Q250 PolarHBondContact O-N 3.49Å; D246-Q250 PolarHBondContact OD1-NE2 3.32Å; D246-Q250 VanDerWaalsContact OD1-NE2 3.08Å; D246-Q250 PolarHBondContact OD2-NE2 2.84Å; G247-Q250 PolarHBondContact O-N 3.37Å; Q250-I253 PolarHBondContact O-N 3.13Å; Q250-R254 VanDerWaalsContact O-CG 3.3Å; Q250-R254 WeakPolarHBondContact O-CG 3.36Å; Q250-R254 PolarHBondContact O-N 2.65Å |
| 251 | Q | 60.2 | Low | 56 | Low | 138 Ų | 138 | 70.9 Ų | 70.9 | 65% | 0.645 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -67.9 | -39.6 | 177.5 | -163.1 | 171.2 | 34 | 0 | 0 | 111.5 | G247 D248 I249 K255 | G247-Q251 WeakPolarHBondContact O-CB 3.34Å; G247-Q251 PolarHBondContact O-N 3.39Å; D248-Q251 PolarHBondContact O-N 3.46Å; I249-Q251 PolarHBondContact O-N 3.25Å; Q251-K255 WeakPolarHBondContact O-CB 3.46Å; Q251-K255 PolarHBondContact O-N 2.82Å; Q251-K255 VanDerWaalsContact O-N 3.07Å |
| 252 | G | 52.6 | Low | 55.7 | Low | 16 Ų | 16 | 74.5 Ų | 74.5 | 17% | 0.165 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59 | -49.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D248 I249 R254 K255 N256 | D248-G252 PolarHBondContact O-N 3.24Å; I249-G252 PolarHBondContact O-N 2.78Å; G252-R254 PolarHBondContact O-N 2.99Å; G252-K255 PolarHBondContact O-N 3.21Å; G252-N256 WeakPolarHBondContact O-CB 3.36Å; G252-N256 PolarHBondContact O-N 3.46Å |
| 253 | I | 50.2 | Low | 55.2 | Low | 33 Ų | 33 | 74.1 Ų | 74.1 | 17% | 0.169 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.6 | -49.9 | 178.1 | -69.6 | 166.6 | 0 | 0 | 0 | 111.3 | I249 Q250 K255 N256 A257 L373 L407 | I249-I253 HydrophobicContact CG2-CD1 3.77Å; I249-I253 HydrophobicContact CG2-CG1 4.46Å; I249-I253 VanDerWaalsContact O-CG1 3.3Å; I249-I253 WeakPolarHBondContact O-CG1 3.14Å; I249-I253 PolarHBondContact O-N 3.34Å; Q250-I253 PolarHBondContact O-N 3.13Å; I253-K255 VanDerWaalsContact C-N 3.31Å; I253-K255 PolarHBondContact O-N 3Å; I253-N256 PolarHBondContact O-N 3.49Å; I253-N256 VanDerWaalsContact O-N 3.14Å; I253-A257 PolarHBondContact O-N 3.36Å; I253-L373 HydrophobicContact CG2-CD2 4.21Å; I253-L407 HydrophobicContact CD1-CD1 3.77Å |
| 254 | R | 55.3 | Low | 55 | Low | 142 Ų | 142 | 67.6 Ų | 67.6 | 54% | 0.536 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.5 | -41.2 | 179.3 | -68.9 | 175 | -159.5 | -174.6 | 9.6 | 112 | Q250 G252 | Q250-R254 VanDerWaalsContact O-CG 3.3Å; Q250-R254 WeakPolarHBondContact O-CG 3.36Å; Q250-R254 PolarHBondContact O-N 2.65Å; G252-R254 PolarHBondContact O-N 2.99Å |
| 255 | K | 56.4 | Low | 54.6 | Low | 145 Ų | 145 | 66.8 Ų | 66.8 | 63% | 0.63 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -67.2 | -37.1 | 177 | -167.5 | 179.9 | -178.7 | -173.3 | 0 | 111.9 | Q251 G252 I253 M259 | Q251-K255 WeakPolarHBondContact O-CB 3.46Å; Q251-K255 PolarHBondContact O-N 2.82Å; Q251-K255 VanDerWaalsContact O-N 3.07Å; G252-K255 PolarHBondContact O-N 3.21Å; I253-K255 VanDerWaalsContact C-N 3.31Å; I253-K255 PolarHBondContact O-N 3Å; K255-M259 PolarHBondContact O-N 3.5Å |
| 256 | N | 49.8 | Very low | 54.5 | Low | 17 Ų | 17 | 68 Ų | 68 | 9% | 0.091 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -72.4 | -41.2 | -179.4 | -150.3 | -2.2 | 0 | 0 | 0 | 112.4 | L174 G252 I253 L258 M259 W260 | L174-N256 HydrophobicContact CD2-CB 3.69Å; L174-N256 HydrophobicContact CG-CB 4.49Å; G252-N256 WeakPolarHBondContact O-CB 3.36Å; G252-N256 PolarHBondContact O-N 3.46Å; I253-N256 PolarHBondContact O-N 3.49Å; I253-N256 VanDerWaalsContact O-N 3.14Å; N256-L258 PolarHBondContact O-N 2.77Å; N256-M259 PolarHBondContact O-N 3.23Å; N256-W260 PolarHBondContact O-N 3.06Å; N256-W260 VanDerWaalsContact OD1-CD1 3.22Å |
| 257 | A | 50.5 | Low | 54.5 | Low | 27 Ų | 27 | 68.3 Ų | 68.3 | 22% | 0.223 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -56.7 | -48.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I253 M259 W260 E261 L373 | I253-A257 PolarHBondContact O-N 3.36Å; A257-M259 PolarHBondContact O-N 2.82Å; A257-W260 PolarHBondContact O-N 2.81Å; A257-E261 PolarHBondContact O-N 2.84Å; A257-L373 HydrophobicContact CB-CD1 4.07Å; A257-L373 HydrophobicContact CB-CD2 4.05Å |
| 258 | L | 56.5 | Low | 54.1 | Low | 104 Ų | 104 | 68.5 Ų | 68.5 | 55% | 0.545 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.2 | -21.4 | 176 | -77.6 | 165.1 | 0 | 0 | 0 | 114.2 | N256 K262 | N256-L258 PolarHBondContact O-N 2.77Å; L258-K262 WeakPolarHBondContact O-CD 3.4Å; L258-K262 WeakPolarHBondContact O-CG 3.46Å |
| 259 | M | 53.4 | Low | 54 | Low | 41 Ų | 41 | 71.1 Ų | 71.1 | 20% | 0.202 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -85.7 | -43.3 | 170.9 | -70.1 | -153.3 | -55.7 | 0 | 0 | 112.2 | L170 L174 K255 N256 A257 E261 K262 I263 | L170-M259 HydrophobicContact CB-CE 4.31Å; L170-M259 HydrophobicContact CD2-CE 3.97Å; L170-M259 HydrophobicContact CD2-SD 3.54Å; L170-M259 VanDerWaalsContact CD2-SD 3.54Å; L174-M259 HydrophobicContact CD2-CE 4.05Å; K255-M259 PolarHBondContact O-N 3.5Å; N256-M259 PolarHBondContact O-N 3.23Å; A257-M259 PolarHBondContact O-N 2.82Å; M259-E261 VanDerWaalsContact C-N 3.32Å; M259-E261 PolarHBondContact O-N 3.15Å; M259-K262 PolarHBondContact O-N 2.87Å; M259-I263 HydrophobicContact CB-CD1 4.28Å; M259-I263 WeakPolarHBondContact O-CB 3.45Å; M259-I263 VanDerWaalsContact O-CG1 3.29Å; M259-I263 WeakPolarHBondContact O-CG1 3.47Å; M259-I263 PolarHBondContact O-N 3.46Å |
| 260 | W | 53.1 | Low | 54.1 | Low | 48 Ų | 48 | 71.5 Ų | 71.5 | 18% | 0.182 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.8 | -42.9 | 179.8 | -93.8 | 88.6 | 0 | 0 | 0 | 112.1 | R171 N256 A257 K262 N264 | R171-W260 VanDerWaalsContact NH2-CZ3 3.28Å; N256-W260 PolarHBondContact O-N 3.06Å; N256-W260 VanDerWaalsContact OD1-CD1 3.22Å; A257-W260 PolarHBondContact O-N 2.81Å; W260-K262 PolarHBondContact O-N 3.47Å; W260-N264 WeakPolarHBondContact O-CB 3.4Å; W260-N264 PolarHBondContact O-N 3.36Å |
| 261 | E | 55.8 | Low | 54 | Low | 105 Ų | 105 | 71.3 Ų | 71.3 | 49% | 0.491 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -55.9 | -51.1 | 173.2 | -173.5 | -178.9 | -142.5 | 0 | 0 | 111.5 | A257 M259 V265 Y366 | A257-E261 PolarHBondContact O-N 2.84Å; M259-E261 VanDerWaalsContact C-N 3.32Å; M259-E261 PolarHBondContact O-N 3.15Å; E261-V265 VanDerWaalsContact O-CB 3.32Å; E261-V265 WeakPolarHBondContact O-CB 3.41Å; E261-V265 VanDerWaalsContact O-CG2 3.22Å; E261-V265 WeakPolarHBondContact O-CG2 3.26Å; E261-V265 PolarHBondContact O-N 2.89Å; E261-V265 VanDerWaalsContact O-N 3.11Å; E261-Y366 PolarHBondContact O-OH 3.35Å |
| 262 | K | 56.9 | Low | 53.5 | Low | 144 Ų | 144 | 65.5 Ų | 65.5 | 63% | 0.626 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -65.6 | -42.8 | -178.8 | -73.1 | 178.6 | -178.9 | 175.9 | 0 | 113.6 | L258 M259 W260 K266 | L258-K262 WeakPolarHBondContact O-CD 3.4Å; L258-K262 WeakPolarHBondContact O-CG 3.46Å; M259-K262 PolarHBondContact O-N 2.87Å; W260-K262 PolarHBondContact O-N 3.47Å; K262-K266 PolarHBondContact O-N 3.5Å |
| 263 | I | 51 | Low | 53.7 | Low | 14 Ų | 14 | 68.7 Ų | 68.7 | 7% | 0.072 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -72.9 | -49.7 | -176.5 | -62.5 | 165.4 | 0 | 0 | 0 | 109.9 | Q167 R171 M259 V265 K266 T267 | Q167-I263 HydrophobicContact CB-CD1 4.26Å; Q167-I263 HydrophobicContact CB-CG1 4.39Å; R171-I263 HydrophobicContact CG-CD1 4.07Å; R171-I263 VanDerWaalsContact CZ-CG2 3.45Å; M259-I263 HydrophobicContact CB-CD1 4.28Å; M259-I263 WeakPolarHBondContact O-CB 3.45Å; M259-I263 VanDerWaalsContact O-CG1 3.29Å; M259-I263 WeakPolarHBondContact O-CG1 3.47Å; M259-I263 PolarHBondContact O-N 3.46Å; I263-V265 PolarHBondContact O-N 2.95Å; I263-K266 WeakPolarHBondContact O-CA 3.38Å; I263-K266 VanDerWaalsContact O-CB 3.23Å; I263-K266 WeakPolarHBondContact O-CB 3.4Å; I263-K266 PolarHBondContact O-N 3.2Å; I263-K266 VanDerWaalsContact O-N 3.08Å; I263-T267 PolarHBondContact O-N 3.2Å; I263-T267 PolarHBondContact O-OG1 2.92Å; I263-T267 VanDerWaalsContact O-OG1 3.1Å |
| 264 | N | 55.1 | Low | 53.8 | Low | 34 Ų | 34 | 70.3 Ų | 70.3 | 18% | 0.182 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.8 | -34.7 | -178.9 | -83.1 | 13.1 | 0 | 0 | 0 | 112.2 | R171 W260 K266 T267 I268 Y366 | R171-N264 PolarHBondContact NH2-OD1 3.38Å; W260-N264 WeakPolarHBondContact O-CB 3.4Å; W260-N264 PolarHBondContact O-N 3.36Å; N264-K266 VanDerWaalsContact C-N 3.29Å; N264-K266 PolarHBondContact O-N 3.21Å; N264-T267 PolarHBondContact O-N 2.72Å; N264-I268 WeakPolarHBondContact O-CB 3.35Å; N264-I268 WeakPolarHBondContact O-CD1 3.26Å; N264-I268 VanDerWaalsContact O-CG1 3.26Å; N264-I268 WeakPolarHBondContact O-CG1 3.28Å; N264-I268 PolarHBondContact O-N 3.46Å; N264-Y366 HydrophobicContact CB-CE2 3.73Å; N264-Y366 WeakPolarHBondContact CB-OH 3.4Å |
| 265 | V | 55 | Low | 53.5 | Low | 61 Ų | 61 | 66.1 Ų | 66.1 | 37% | 0.37 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.2 | -35.9 | 171.7 | 167.7 | 0 | 0 | 0 | 0 | 111.7 | E261 I263 R269 Y366 | E261-V265 VanDerWaalsContact O-CB 3.32Å; E261-V265 WeakPolarHBondContact O-CB 3.41Å; E261-V265 VanDerWaalsContact O-CG2 3.22Å; E261-V265 WeakPolarHBondContact O-CG2 3.26Å; E261-V265 PolarHBondContact O-N 2.89Å; E261-V265 VanDerWaalsContact O-N 3.11Å; I263-V265 PolarHBondContact O-N 2.95Å; V265-R269 VanDerWaalsContact O-CB 3.22Å; V265-R269 WeakPolarHBondContact O-CB 3.48Å; V265-R269 PolarHBondContact O-N 3.28Å; V265-Y366 PolarHBondContact N-OH 2.86Å |
| 266 | K | 57.6 | Low | 53.5 | Low | 65 Ų | 65 | 67.1 Ų | 67.1 | 28% | 0.283 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.6 | -53.1 | 169.7 | -102.8 | -170 | 172.1 | -165.4 | 0 | 111.2 | K262 I263 N264 I268 R269 R270 | K262-K266 PolarHBondContact O-N 3.5Å; I263-K266 WeakPolarHBondContact O-CA 3.38Å; I263-K266 VanDerWaalsContact O-CB 3.23Å; I263-K266 WeakPolarHBondContact O-CB 3.4Å; I263-K266 PolarHBondContact O-N 3.2Å; I263-K266 VanDerWaalsContact O-N 3.08Å; N264-K266 VanDerWaalsContact C-N 3.29Å; N264-K266 PolarHBondContact O-N 3.21Å; K266-I268 PolarHBondContact O-N 2.98Å; K266-R269 WeakPolarHBondContact O-CB 3.49Å; K266-R269 PolarHBondContact O-N 2.98Å; K266-R269 VanDerWaalsContact O-N 3.16Å; K266-R270 PolarHBondContact O-N 3.17Å |
| 267 | T | 53.1 | Low | 53.6 | Low | 64 Ų | 64 | 74.4 Ų | 74.4 | 39% | 0.393 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.3 | -48.2 | -176.4 | -52.4 | 0 | 0 | 0 | 0 | 111.5 | I263 N264 R269 R270 T271 | I263-T267 PolarHBondContact O-N 3.2Å; I263-T267 PolarHBondContact O-OG1 2.92Å; I263-T267 VanDerWaalsContact O-OG1 3.1Å; N264-T267 PolarHBondContact O-N 2.72Å; T267-R269 VanDerWaalsContact C-N 3.34Å; T267-R269 PolarHBondContact O-N 3.46Å; T267-R270 PolarHBondContact O-N 3.04Å; T267-R270 VanDerWaalsContact O-N 3.16Å; T267-T271 PolarHBondContact O-N 2.88Å; T267-T271 PolarHBondContact O-OG1 2.9Å; T267-T271 VanDerWaalsContact O-OG1 3.1Å |
| 268 | I | 51.2 | Low | 53.5 | Low | 48 Ų | 48 | 78.4 Ų | 78.4 | 25% | 0.246 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57.4 | -48.4 | 175.2 | -67.1 | 163.7 | 0 | 0 | 0 | 110.2 | N264 K266 R270 T271 C272 I362 Y366 | N264-I268 WeakPolarHBondContact O-CB 3.35Å; N264-I268 WeakPolarHBondContact O-CD1 3.26Å; N264-I268 VanDerWaalsContact O-CG1 3.26Å; N264-I268 WeakPolarHBondContact O-CG1 3.28Å; N264-I268 PolarHBondContact O-N 3.46Å; K266-I268 PolarHBondContact O-N 2.98Å; I268-R270 VanDerWaalsContact C-N 3.27Å; I268-R270 PolarHBondContact O-N 2.74Å; I268-T271 PolarHBondContact O-N 2.97Å; I268-T271 VanDerWaalsContact O-N 3.17Å; I268-C272 WeakPolarHBondContact O-CB 3.39Å; I268-C272 PolarHBondContact O-N 2.81Å; I268-C272 PolarHBondContact O-SG 3.31Å; I268-I362 HydrophobicContact CD1-CG2 3.33Å; I268-I362 HydrophobicContact CG1-CG2 3.77Å; I268-I362 HydrophobicContact CG2-CG2 4.5Å; I268-Y366 HydrophobicContact CD1-CD2 4.08Å; I268-Y366 HydrophobicContact CD1-CE2 3.54Å |
| 269 | R | 55.5 | Low | 53 | Low | 153 Ų | 153 | 81.1 Ų | 81.1 | 58% | 0.577 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -58.6 | -38.6 | 178.9 | -170.4 | -177.7 | -57.6 | 172.9 | 2.4 | 112.2 | V265 K266 T267 Q273 | V265-R269 VanDerWaalsContact O-CB 3.22Å; V265-R269 WeakPolarHBondContact O-CB 3.48Å; V265-R269 PolarHBondContact O-N 3.28Å; K266-R269 WeakPolarHBondContact O-CB 3.49Å; K266-R269 PolarHBondContact O-N 2.98Å; K266-R269 VanDerWaalsContact O-N 3.16Å; T267-R269 VanDerWaalsContact C-N 3.34Å; T267-R269 PolarHBondContact O-N 3.46Å; R269-Q273 WeakPolarHBondContact O-CB 3.5Å; R269-Q273 VanDerWaalsContact O-CG 3.24Å; R269-Q273 WeakPolarHBondContact O-CG 3.4Å; R269-Q273 PolarHBondContact O-N 2.91Å |
| 270 | R | 53.9 | Low | 52.7 | Low | 47 Ų | 47 | 82.6 Ų | 82.6 | 18% | 0.177 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -69.4 | -45.2 | 173.8 | -69.2 | -164.3 | -168.4 | 120 | -14.9 | 112.6 | E160 D164 K266 T267 I268 C272 Q273 T274 | E160-R270 IonicContact OE1-CZ 3.18Å; E160-R270 IonicContact OE1-NE 2.89Å; E160-R270 PolarHBondContact OE1-NE 3.14Å; E160-R270 IonicContact OE1-NH2 2.66Å; E160-R270 PolarHBondContact OE1-NH2 3.23Å; D164-R270 IonicContact OD1-CZ 2.66Å; D164-R270 IonicContact OD1-NH1 3.42Å; D164-R270 PolarHBondContact OD1-NH1 2.83Å; D164-R270 IonicContact OD1-NH2 3.55Å; D164-R270 PolarHBondContact OD1-NH2 2.86Å; D164-R270 IonicContact OD2-CZ 3.5Å; D164-R270 IonicContact OD2-NH1 2.69Å; D164-R270 PolarHBondContact OD2-NH1 2.78Å; D164-R270 IonicContact OD2-NH2 3.4Å; D164-R270 PolarHBondContact OD2-NH2 3.4Å; K266-R270 PolarHBondContact O-N 3.17Å; T267-R270 PolarHBondContact O-N 3.04Å; T267-R270 VanDerWaalsContact O-N 3.16Å; I268-R270 VanDerWaalsContact C-N 3.27Å; I268-R270 PolarHBondContact O-N 2.74Å; R270-C272 VanDerWaalsContact C-N 3.35Å; R270-C272 PolarHBondContact O-N 3.11Å; R270-Q273 CarbonylContact O-C 3.56Å; R270-Q273 PolarHBondContact O-N 2.88Å; R270-Q273 VanDerWaalsContact O-N 3.09Å; R270-T274 PolarHBondContact O-N 3.42Å; R270-T274 PolarHBondContact O-OG1 2.95Å |
| 271 | T | 51.3 | Low | 52.3 | Low | 51 Ų | 51 | 88.4 Ų | 88.4 | 31% | 0.313 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.5 | -46.4 | 176.7 | -53.5 | 0 | 0 | 0 | 0 | 110.8 | T267 I268 Q273 T274 L275 | T267-T271 PolarHBondContact O-N 2.88Å; T267-T271 PolarHBondContact O-OG1 2.9Å; T267-T271 VanDerWaalsContact O-OG1 3.1Å; I268-T271 PolarHBondContact O-N 2.97Å; I268-T271 VanDerWaalsContact O-N 3.17Å; T271-Q273 VanDerWaalsContact C-N 3.34Å; T271-Q273 PolarHBondContact O-N 3Å; T271-T274 PolarHBondContact O-N 3.11Å; T271-L275 HydrophobicContact CG2-CD1 4.14Å; T271-L275 WeakPolarHBondContact O-CB 3.45Å; T271-L275 VanDerWaalsContact O-CG 3.29Å; T271-L275 WeakPolarHBondContact O-CG 3.32Å; T271-L275 PolarHBondContact O-N 2.97Å |
| 272 | C | 49.2 | Very low | 51.9 | Low | 16 Ų | 16 | 87.5 Ų | 87.5 | 11% | 0.108 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.2 | -37.1 | 173.2 | -63.3 | 0 | 0 | 0 | 0 | 112.6 | I268 R270 R276 E359 | I268-C272 WeakPolarHBondContact O-CB 3.39Å; I268-C272 PolarHBondContact O-N 2.81Å; I268-C272 PolarHBondContact O-SG 3.31Å; R270-C272 VanDerWaalsContact C-N 3.35Å; R270-C272 PolarHBondContact O-N 3.11Å; C272-R276 VanDerWaalsContact O-CG 3.26Å; C272-R276 WeakPolarHBondContact O-CG 3.49Å; C272-R276 PolarHBondContact O-N 3.4Å; C272-E359 PolarHBondContact SG-OE1 3.27Å |
| 273 | Q | 56.6 | Low | 50.8 | Low | 84 Ų | 84 | 86.5 Ų | 86.5 | 39% | 0.393 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -69.1 | -39 | 174 | -80.9 | 175.5 | -14.1 | 0 | 0 | 112.8 | R269 R270 T271 R276 R277 | R269-Q273 WeakPolarHBondContact O-CB 3.5Å; R269-Q273 VanDerWaalsContact O-CG 3.24Å; R269-Q273 WeakPolarHBondContact O-CG 3.4Å; R269-Q273 PolarHBondContact O-N 2.91Å; R270-Q273 CarbonylContact O-C 3.56Å; R270-Q273 PolarHBondContact O-N 2.88Å; R270-Q273 VanDerWaalsContact O-N 3.09Å; T271-Q273 VanDerWaalsContact C-N 3.34Å; T271-Q273 PolarHBondContact O-N 3Å; Q273-R276 PolarHBondContact O-N 2.89Å; Q273-R277 WeakPolarHBondContact O-CG 3.4Å; Q273-R277 PolarHBondContact O-N 2.84Å |
| 274 | T | 53 | Low | 50 | Low | 67 Ų | 67 | 90.1 Ų | 90.1 | 41% | 0.411 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.6 | -42.9 | 174.8 | -63 | 0 | 0 | 0 | 0 | 110.8 | R270 T271 R276 R277 F278 | R270-T274 PolarHBondContact O-N 3.42Å; R270-T274 PolarHBondContact O-OG1 2.95Å; T271-T274 PolarHBondContact O-N 3.11Å; T274-R276 VanDerWaalsContact C-N 3.34Å; T274-R276 PolarHBondContact O-N 3.01Å; T274-R277 CarbonylContact O-C 3.5Å; T274-R277 WeakPolarHBondContact O-CA 3.49Å; T274-R277 WeakPolarHBondContact O-CB 3.49Å; T274-R277 PolarHBondContact O-N 2.71Å; T274-R277 VanDerWaalsContact O-N 3.08Å; T274-F278 HydrophobicContact CG2-CD2 4.16Å; T274-F278 HydrophobicContact CG2-CE2 4.04Å; T274-F278 WeakPolarHBondContact O-CD2 3.25Å; T274-F278 PolarHBondContact O-N 2.88Å |
| 275 | L | 49.6 | Very low | 48.8 | Very low | 54 Ų | 54 | 93.7 Ų | 93.7 | 28% | 0.283 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.4 | -39.4 | 172.8 | -69.4 | 167.4 | 0 | 0 | 0 | 111.9 | T271 F278 R279 V355 | T271-L275 HydrophobicContact CG2-CD1 4.14Å; T271-L275 WeakPolarHBondContact O-CB 3.45Å; T271-L275 VanDerWaalsContact O-CG 3.29Å; T271-L275 WeakPolarHBondContact O-CG 3.32Å; T271-L275 PolarHBondContact O-N 2.97Å; L275-F278 PolarHBondContact O-N 3.15Å; L275-R279 PolarHBondContact O-N 2.7Å; L275-V355 HydrophobicContact CD1-CG1 4.14Å; L275-V355 HydrophobicContact CD1-CG2 4.16Å; L275-V355 HydrophobicContact CD2-CG2 4.05Å |
| 276 | R | 55.9 | Low | 47.7 | Very low | 165 Ų | 165 | 96 Ų | 96 | 62% | 0.623 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.5 | -36 | 170.5 | -71.9 | 172.9 | -159.6 | -176.4 | 5.6 | 113.1 | C272 Q273 T274 F278 R279 S280 | C272-R276 VanDerWaalsContact O-CG 3.26Å; C272-R276 WeakPolarHBondContact O-CG 3.49Å; C272-R276 PolarHBondContact O-N 3.4Å; Q273-R276 PolarHBondContact O-N 2.89Å; T274-R276 VanDerWaalsContact C-N 3.34Å; T274-R276 PolarHBondContact O-N 3.01Å; R276-F278 VanDerWaalsContact C-N 3.33Å; R276-R279 WeakPolarHBondContact O-CB 3.31Å; R276-R279 PolarHBondContact O-N 2.88Å; R276-S280 PolarHBondContact O-N 3.29Å |
| 277 | R | 52.4 | Low | 46.4 | Very low | 170 Ų | 170 | 101.3 Ų | 101.3 | 64% | 0.642 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -70 | -26.6 | 174.5 | -75.2 | 175.3 | 176.4 | 169.7 | 0.6 | 113 | Q273 T274 S280 K281 | Q273-R277 WeakPolarHBondContact O-CG 3.4Å; Q273-R277 PolarHBondContact O-N 2.84Å; T274-R277 CarbonylContact O-C 3.5Å; T274-R277 WeakPolarHBondContact O-CA 3.49Å; T274-R277 WeakPolarHBondContact O-CB 3.49Å; T274-R277 PolarHBondContact O-N 2.71Å; T274-R277 VanDerWaalsContact O-N 3.08Å; R277-S280 PolarHBondContact O-OG 2.83Å; R277-K281 WeakPolarHBondContact O-CB 3.38Å; R277-K281 WeakPolarHBondContact O-CG 3.46Å; R277-K281 PolarHBondContact O-N 3.29Å |
| 278 | F | 46.9 | Very low | 45.4 | Very low | 112 Ų | 112 | 108.3 Ų | 108.3 | 49% | 0.491 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -71.6 | -43.8 | 165.8 | -85.5 | -76.7 | 0 | 0 | 0 | 111.2 | T274 L275 R276 S280 K281 V282 | T274-F278 HydrophobicContact CG2-CD2 4.16Å; T274-F278 HydrophobicContact CG2-CE2 4.04Å; T274-F278 WeakPolarHBondContact O-CD2 3.25Å; T274-F278 PolarHBondContact O-N 2.88Å; L275-F278 PolarHBondContact O-N 3.15Å; R276-F278 VanDerWaalsContact C-N 3.33Å; F278-S280 PolarHBondContact O-N 3.37Å; F278-K281 PolarHBondContact O-N 2.93Å; F278-V282 PolarHBondContact O-N 3.34Å; F278-V282 VanDerWaalsContact O-N 3.14Å |
| 279 | R | 45.8 | Very low | 44.4 | Very low | 160 Ų | 160 | 111.8 Ų | 111.8 | 60% | 0.604 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -53.5 | -40.3 | 174.1 | -154.7 | -177.5 | -165 | -179.8 | 6.8 | 111.9 | L275 R276 K281 Q352 | L275-R279 PolarHBondContact O-N 2.7Å; R276-R279 WeakPolarHBondContact O-CB 3.31Å; R276-R279 PolarHBondContact O-N 2.88Å; R279-K281 VanDerWaalsContact C-N 3.34Å; R279-K281 PolarHBondContact O-N 3.49Å; R279-Q352 VanDerWaalsContact NH2-CD 3.29Å |
| 280 | S | 47.7 | Very low | 43.2 | Very low | 73 Ų | 73 | 113.1 Ų | 113.1 | 51% | 0.51 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.8 | 17.2 | 175.8 | 76.9 | 0 | 0 | 0 | 0 | 115.3 | R276 R277 F278 D283 | R276-S280 PolarHBondContact O-N 3.29Å; R277-S280 PolarHBondContact O-OG 2.83Å; F278-S280 PolarHBondContact O-N 3.37Å; S280-D283 WeakPolarHBondContact CA-OD2 3.32Å |
| 281 | K | 45.2 | Very low | 41.9 | Very low | 170 Ų | 170 | 117.8 Ų | 117.8 | 74% | 0.739 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.4 | -13.6 | 174.8 | -89.7 | -169.9 | 171.2 | -169.5 | 0 | 113.5 | R277 F278 R279 | R277-K281 WeakPolarHBondContact O-CB 3.38Å; R277-K281 WeakPolarHBondContact O-CG 3.46Å; R277-K281 PolarHBondContact O-N 3.29Å; F278-K281 PolarHBondContact O-N 2.93Å; R279-K281 VanDerWaalsContact C-N 3.34Å; R279-K281 PolarHBondContact O-N 3.49Å |
| 282 | V | 46.3 | Very low | 40.8 | Very low | 85 Ų | 85 | 120.3 Ų | 120.3 | 52% | 0.515 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -73.4 | -16.8 | 164.3 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | F278 C284 | F278-V282 PolarHBondContact O-N 3.34Å; F278-V282 VanDerWaalsContact O-N 3.14Å; V282-C284 PolarHBondContact O-N 2.78Å |
| 283 | D | 34.7 | Very low | 39.8 | Very low | 123 Ų | 123 | 124.9 Ų | 124.9 | 66% | 0.658 | 65% | 0.648 | S | S | * | * | trans | -65.3 | 66.8 | 166.3 | -59.6 | -41.3 | 0 | 0 | 0 | 112.1 | S280 | S280-D283 WeakPolarHBondContact CA-OD2 3.32Š| ||
| 284 | C | 34.4 | Very low | 38.4 | Very low | 91 Ų | 91 | 125 Ų | 125 | 62% | 0.615 | 66% | 0.664 | S | S | * | * | trans | -76.3 | 136.9 | -179.8 | -157.9 | 0 | 0 | 0 | 0 | 110.5 | V282 C286 | V282-C284 PolarHBondContact O-N 2.78Å; C284-C286 PolarHBondContact O-N 2.71Å | ||
| 285 | P | 29.3 | Very low | 37.2 | Very low | 108 Ų | 108 | 127 Ų | 127 | 70% | 0.701 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -81.2 | 73.7 | -166.4 | 32.9 | -37.5 | 0 | 0 | 0 | 113.9 | ||
| 286 | C | 31.9 | Very low | 36.2 | Very low | 109 Ų | 109 | 129.5 Ų | 129.5 | 74% | 0.736 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -107 | -32.7 | 177.2 | -65 | 0 | 0 | 0 | 0 | 114.5 | C284 | C284-C286 PolarHBondContact O-N 2.71Š|
| 287 | E | 31.4 | Very low | 34.9 | Very low | 178 Ų | 178 | 130.7 Ų | 130.7 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -101.4 | 2.3 | -171.5 | -64.2 | -161.8 | 121 | 0 | 0 | 115.8 | T289 | E287-T289 PolarHBondContact O-N 2.83Š|
| 288 | R | 30.3 | Very low | 33.8 | Very low | 211 Ų | 211 | 126.8 Ų | 126.8 | 80% | 0.796 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 53.6 | -168.4 | -158.4 | -177 | -74 | 174.8 | -2.1 | 114.7 | ||
| 289 | T | 31.7 | Very low | 33.1 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.2 | -16.2 | 174.3 | -29.2 | 0 | 0 | 0 | 0 | 114.5 | E287 | E287-T289 PolarHBondContact O-N 2.83Š|
| 290 | F | 29 | Very low | 32.4 | Very low | 182 Ų | 182 | 124.7 Ų | 124.7 | 80% | 0.798 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -135.3 | 141 | 173.5 | -79 | -88.5 | 0 | 0 | 0 | 111.3 | ||
| 291 | V | 27.1 | Very low | 31.7 | Very low | 144 Ų | 144 | 128.1 Ų | 128.1 | 87% | 0.873 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 62.1 | 64.2 | 176.5 | -159.8 | 0 | 0 | 0 | 0 | 116.3 | ||
| 292 | S | 28.4 | Very low | 31.2 | Very low | 104 Ų | 104 | 126.5 Ų | 126.5 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | -164 | 38.8 | 148.9 | 36.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 293 | A | 27.2 | Very low | 30.4 | Very low | 112 Ų | 112 | 127.5 Ų | 127.5 | 93% | 0.926 | 77% | 0.769 | S | S | * | * | trans | -100.6 | 46 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 294 | A | 27.3 | Very low | 30.5 | Very low | 88 Ų | 88 | 127.2 Ų | 127.2 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -153.7 | 151.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 295 | A | 29.1 | Very low | 30.4 | Very low | 109 Ų | 109 | 129.9 Ų | 129.9 | 90% | 0.901 | 78% | 0.781 | S | S | * | * | trans | 61.5 | 46.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 296 | A | 27.3 | Very low | 30.4 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -110 | 16.3 | 157.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 297 | E | 29.2 | Very low | 30.3 | Very low | 190 Ų | 190 | 133 Ų | 133 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | trans | -136.1 | 85.2 | 177.6 | -71.6 | -168.6 | 141.7 | 0 | 0 | 111.1 | ||||
| 298 | A | 30.2 | Very low | 30.1 | Very low | 89 Ų | 89 | 130.1 Ų | 130.1 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | trans | -164.7 | 123.9 | 159 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 299 | V | 32 | Very low | 30.1 | Very low | 123 Ų | 123 | 127 Ų | 127 | 75% | 0.745 | 78% | 0.775 | S | S | * | * | trans | 45.7 | 94.5 | 131 | -177.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 300 | T | 31 | Very low | 29.9 | Very low | 104 Ų | 104 | 126.9 Ų | 126.9 | 64% | 0.638 | 78% | 0.775 | S | S | * | * | 55 | 138.4 | 74.1 | 74.4 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 301 | N | 33.3 | Very low | 29.9 | Very low | 146 Ų | 146 | 122.8 Ų | 122.8 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | trans | 77.9 | 152.4 | 168 | -44.4 | -21.2 | 0 | 0 | 0 | 116.1 | ||||
| 302 | D | 33.6 | Very low | 29.9 | Very low | 135 Ų | 135 | 121 Ų | 121 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | cis | -162.7 | 140.1 | -41.4 | -148.5 | -37.5 | 0 | 0 | 0 | 110.3 | ||||
| 303 | S | 29.9 | Very low | 30.1 | Very low | 107 Ų | 107 | 124 Ų | 124 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | trans | 58.6 | 165 | 155.2 | -70 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 304 | P | 37.1 | Very low | 30.3 | Very low | 117 Ų | 117 | 126 Ų | 126 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | trans | -125.8 | 158.5 | -160.4 | 41.2 | -26.8 | 0 | 0 | 0 | 117.5 | ||||
| 305 | L | 32.6 | Very low | 30.7 | Very low | 147 Ų | 147 | 127.3 Ų | 127.3 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | trans | -144.4 | 134.6 | 168 | -81.9 | 175.5 | 0 | 0 | 0 | 108.9 | ||||
| 306 | Q | 29.1 | Very low | 30.9 | Very low | 170 Ų | 170 | 128.5 Ų | 128.5 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | 56.7 | 138 | 91.5 | -67.2 | -170.4 | 3 | 0 | 0 | 114.7 | |||||
| 307 | T | 30.5 | Very low | 31.3 | Very low | 112 Ų | 112 | 128.5 Ų | 128.5 | 69% | 0.687 | 75% | 0.752 | S | S | * | * | cis | -164.9 | 164.3 | 2.7 | -102.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 308 | V | 26.6 | Very low | 31.5 | Very low | 118 Ų | 118 | 127 Ų | 127 | 72% | 0.715 | 75% | 0.749 | S | S | * | * | trans | -17.7 | 163.8 | 162.6 | -169.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 309 | I | 30.7 | Very low | 31.4 | Very low | 145 Ų | 145 | 127.7 Ų | 127.7 | 74% | 0.744 | 75% | 0.749 | S | S | * | * | trans | 109.8 | 104.6 | 166.7 | -61 | 165.1 | 0 | 0 | 0 | 111.1 | ||||
| 310 | T | 27.4 | Very low | 31.4 | Very low | 118 Ų | 118 | 127.5 Ų | 127.5 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | 81 | 135.4 | 51.4 | 67.8 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 311 | A | 27.7 | Very low | 31.5 | Very low | 96 Ų | 96 | 132.7 Ų | 132.7 | 79% | 0.793 | 76% | 0.755 | S | S | * | * | trans | 73.7 | 151.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 312 | S | 28.1 | Very low | 31.3 | Very low | 105 Ų | 105 | 132 Ų | 132 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | cis | -169.2 | -176.8 | -13.8 | -102.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 313 | Q | 32.8 | Very low | 31.3 | Very low | 167 Ų | 167 | 132.4 Ų | 132.4 | 78% | 0.78 | 75% | 0.754 | S | S | * | * | trans | 76 | 143.1 | 173.8 | -54.1 | 176.5 | -88 | 0 | 0 | 114.8 | ||||
| 314 | E | 31.8 | Very low | 31.4 | Very low | 156 Ų | 156 | 132.2 Ų | 132.2 | 73% | 0.729 | 75% | 0.753 | S | S | * | * | cis | -160 | 144.7 | -9.8 | -107.9 | 154.6 | -153.4 | 0 | 0 | 104.9 | ||||
| 315 | S | 35.9 | Very low | 31 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | cis | -154.6 | 171.1 | 35 | -54.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 316 | T | 32.1 | Very low | 30.9 | Very low | 134 Ų | 134 | 134.9 Ų | 134.9 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | -110.8 | -171.9 | -174.5 | 16.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 317 | P | 35.9 | Very low | 30.7 | Very low | 104 Ų | 104 | 133 Ų | 133 | 68% | 0.675 | 76% | 0.756 | S | S | * | * | cis | -137.2 | -171.1 | -19.1 | 28.9 | -5.3 | 0 | 0 | 0 | 115.8 | ||||
| 318 | L | 33.2 | Very low | 30.6 | Very low | 159 Ų | 159 | 135.5 Ų | 135.5 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | 116 | 102.2 | 155.2 | -62.7 | 165.3 | 0 | 0 | 0 | 113.9 | ||||
| 319 | S | 28.7 | Very low | 30.7 | Very low | 104 Ų | 104 | 136.8 Ų | 136.8 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | 69.7 | 120.1 | 73.3 | -155.8 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 320 | V | 31.4 | Very low | 30.6 | Very low | 119 Ų | 119 | 135.3 Ų | 135.3 | 72% | 0.721 | 76% | 0.76 | S | S | * | * | -157 | 145.3 | 52.7 | 162 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 321 | R | 33.1 | Very low | 30.7 | Very low | 212 Ų | 212 | 135.8 Ų | 135.8 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | trans | 32.6 | 143.6 | 155.4 | -74.3 | -176.1 | 163 | 129.2 | -1.9 | 124.1 | ||||
| 322 | D | 28.8 | Very low | 31.1 | Very low | 131 Ų | 131 | 136.1 Ų | 136.1 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | trans | 36.1 | 119.9 | 131.1 | -36.4 | -31.4 | 0 | 0 | 0 | 117.4 | ||||
| 323 | D | 33.1 | Very low | 31.1 | Very low | 144 Ų | 144 | 138 Ų | 138 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | -161 | 160.3 | 61.3 | -142.9 | -36.9 | 0 | 0 | 0 | 115.1 | |||||
| 324 | S | 33.4 | Very low | 31.2 | Very low | 103 Ų | 103 | 135.8 Ų | 135.8 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | trans | 32.6 | 110.6 | 154 | -65.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 325 | K | 28.8 | Very low | 31.3 | Very low | 194 Ų | 194 | 134 Ų | 134 | 84% | 0.843 | 75% | 0.752 | S | S | * | * | trans | -53.2 | 134.6 | 176.2 | -58.7 | 176.6 | -180 | -179.1 | 0 | 114.6 | ||||
| 326 | T | 29.4 | Very low | 31.3 | Very low | 126 Ų | 126 | 134.9 Ų | 134.9 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | trans | -122.4 | 136.2 | 143.7 | 46.2 | 0 | 0 | 0 | 0 | 109.2 | Q328 | T326-Q328 PolarHBondContact O-N 3.41Š| ||
| 327 | V | 26.5 | Very low | 31.4 | Very low | 130 Ų | 130 | 133.7 Ų | 133.7 | 79% | 0.788 | 74% | 0.735 | S | S | * | * | trans | -88.4 | 94.4 | -177.7 | 179.8 | 0 | 0 | 0 | 0 | 109.1 | I329 | V327-I329 PolarHBondContact O-N 3.44Š| ||
| 328 | Q | 27.6 | Very low | 31.2 | Very low | 165 Ų | 165 | 136.1 Ų | 136.1 | 77% | 0.771 | 74% | 0.743 | S | S | * | * | trans | -77.5 | 110.9 | 168.9 | -74.5 | -169.6 | -12.4 | 0 | 0 | 110.3 | T326 V330 | T326-Q328 PolarHBondContact O-N 3.41Å; Q328-V330 PolarHBondContact O-N 2.89Å | ||
| 329 | I | 29.3 | Very low | 31.4 | Very low | 145 Ų | 145 | 134.1 Ų | 134.1 | 74% | 0.744 | 73% | 0.733 | S | S | * | * | trans | -76.7 | 101.2 | 166.7 | -61.5 | 177.8 | 0 | 0 | 0 | 107.7 | V327 H331 | V327-I329 PolarHBondContact O-N 3.44Å; I329-H331 PolarHBondContact O-N 3.23Å | ||
| 330 | V | 27.7 | Very low | 31.9 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 70% | 0.697 | 74% | 0.739 | S | S | * | * | trans | -76.4 | 110.7 | 176.7 | 178.9 | 0 | 0 | 0 | 0 | 109.5 | Q328 P332 | Q328-V330 PolarHBondContact O-N 2.89Å; V330-P332 WeakPolarHBondContact O-CD 3.37Å | ||
| 331 | H | 29.8 | Very low | 32.5 | Very low | 128 Ų | 128 | 133.1 Ų | 133.1 | 59% | 0.593 | 74% | 0.735 | S | S | * | * | trans | -83.9 | 117.3 | 164 | -96.3 | -75.2 | 0 | 0 | 0 | 109.7 | I329 | I329-H331 PolarHBondContact O-N 3.23Š| ||
| 332 | P | 34.8 | Very low | 33.2 | Very low | 102 Ų | 102 | 128.4 Ų | 128.4 | 66% | 0.662 | 73% | 0.726 | S | S | * | * | trans | -81.8 | 120.1 | 175.2 | -5.8 | 24.3 | 0 | 0 | 0 | 110.2 | V330 | V330-P332 WeakPolarHBondContact O-CD 3.37Š| ||
| 333 | T | 29.3 | Very low | 34.1 | Very low | 145 Ų | 145 | 125.9 Ų | 125.9 | 89% | 0.89 | 71% | 0.712 | S | S | * | * | trans | -86 | 110.1 | 167.5 | -39.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 334 | T | 35.4 | Very low | 34.7 | Very low | 121 Ų | 121 | 124.6 Ų | 124.6 | 74% | 0.742 | 70% | 0.701 | S | S | * | * | trans | -116.7 | 140.3 | 171.7 | 47.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 335 | T | 33.9 | Very low | 35.6 | Very low | 118 Ų | 118 | 122.6 Ų | 122.6 | 72% | 0.724 | 69% | 0.691 | S | S | * | * | trans | -65.6 | 147.4 | -176.7 | 39.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 336 | I | 34.8 | Very low | 36.6 | Very low | 133 Ų | 133 | 116.1 Ų | 116.1 | 68% | 0.682 | 67% | 0.674 | S | S | * | * | trans | -92.1 | 108.6 | 170.4 | -58 | 169.8 | 0 | 0 | 0 | 106.8 | ||||
| 337 | D | 34.9 | Very low | 37.6 | Very low | 109 Ų | 109 | 114.5 Ų | 114.5 | 58% | 0.583 | 66% | 0.66 | S | S | * | * | trans | -89.4 | 141.5 | 161.5 | -97.1 | 22.7 | 0 | 0 | 0 | 108 | N339 K942 | D337-N339 PolarHBondContact O-N 2.92Å; D337-K942 IonicContact OD2-NZ 3.26Å; D337-K942 PolarHBondContact OD2-NZ 2.88Å | ||
| 338 | D | 32.5 | Very low | 38.8 | Very low | 156 Ų | 156 | 110.7 Ų | 110.7 | 83% | 0.834 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -73.1 | 86.7 | -171.5 | -77.2 | -53.3 | 0 | 0 | 0 | 113.4 | ||
| 339 | N | 35.3 | Very low | 40.3 | Very low | 117 Ų | 117 | 110.1 Ų | 110.1 | 63% | 0.626 | 64% | 0.637 | S | S | * | * | trans | -133.4 | 114.7 | 158.6 | -90.4 | -50.6 | 0 | 0 | 0 | 110.3 | D337 G341 | D337-N339 PolarHBondContact O-N 2.92Å; N339-G341 PolarHBondContact O-N 3.43Å | ||
| 340 | T | 40.4 | Very low | 41.6 | Very low | 141 Ų | 141 | 107.1 Ų | 107.1 | 87% | 0.865 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 0.8 | -166.8 | 43 | 0 | 0 | 0 | 0 | 115.8 | ||
| 341 | G | 44 | Very low | 42.7 | Very low | 61 Ų | 61 | 104.4 Ų | 104.4 | 63% | 0.629 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -39.2 | 175 | 0 | 0 | 0 | 0 | 0 | 114.8 | N339 N343 | N339-G341 PolarHBondContact O-N 3.43Å; G341-N343 VanDerWaalsContact C-N 3.28Å; G341-N343 PolarHBondContact O-N 2.88Å |
| 342 | D | 47.5 | Very low | 44.2 | Very low | 113 Ų | 113 | 102.1 Ų | 102.1 | 60% | 0.604 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -74.9 | -14.1 | -167.8 | -74.9 | -53.8 | 0 | 0 | 0 | 114.6 | E344 A345 A346 | D342-E344 VanDerWaalsContact C-N 3.35Å; D342-E344 PolarHBondContact O-N 3.4Å; D342-A345 PolarHBondContact O-N 3.5Å; D342-A346 WeakPolarHBondContact O-CB 3.13Å; D342-A346 PolarHBondContact O-N 3.3Å |
| 343 | N | 47.1 | Very low | 45.4 | Very low | 77 Ų | 77 | 100.7 Ų | 100.7 | 41% | 0.412 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61 | -38.2 | -177.5 | -79.9 | -43.9 | 0 | 0 | 0 | 113.1 | G341 A346 I347 | G341-N343 VanDerWaalsContact C-N 3.28Å; G341-N343 PolarHBondContact O-N 2.88Å; N343-A346 PolarHBondContact O-N 2.88Å; N343-I347 WeakPolarHBondContact O-CB 3.32Å; N343-I347 WeakPolarHBondContact O-CD1 3.49Å; N343-I347 VanDerWaalsContact O-CG1 3.23Å; N343-I347 WeakPolarHBondContact O-CG1 3.25Å; N343-I347 PolarHBondContact O-N 3.42Å |
| 344 | E | 45.3 | Very low | 46.6 | Very low | 117 Ų | 117 | 97.1 Ų | 97.1 | 55% | 0.547 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -70.3 | -38.9 | 178.2 | -64.5 | -162.2 | 138.3 | 0 | 0 | 111.7 | D342 I347 A348 H439 | D342-E344 VanDerWaalsContact C-N 3.35Å; D342-E344 PolarHBondContact O-N 3.4Å; E344-I347 PolarHBondContact O-N 2.98Å; E344-A348 VanDerWaalsContact O-CB 3.28Å; E344-A348 WeakPolarHBondContact O-CB 3.5Å; E344-A348 PolarHBondContact O-N 3.3Å; E344-H439 IonicContact OE1-CE1 2.61Å |
| 345 | A | 52.5 | Low | 47.5 | Very low | 61 Ų | 61 | 93.2 Ų | 93.2 | 50% | 0.504 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | D342 K349 | D342-A345 PolarHBondContact O-N 3.5Å; A345-K349 VanDerWaalsContact O-CB 3.31Å; A345-K349 WeakPolarHBondContact O-CB 3.33Å; A345-K349 PolarHBondContact O-N 3.47Å |
| 346 | A | 51.4 | Low | 48.8 | Very low | 59 Ų | 59 | 91.7 Ų | 91.7 | 49% | 0.488 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D342 N343 K349 H350 | D342-A346 WeakPolarHBondContact O-CB 3.13Å; D342-A346 PolarHBondContact O-N 3.3Å; N343-A346 PolarHBondContact O-N 2.88Å; A346-K349 PolarHBondContact O-N 2.85Å; A346-H350 PolarHBondContact O-N 3.08Å |
| 347 | I | 48.5 | Very low | 49.9 | Very low | 92 Ų | 92 | 88.4 Ų | 88.4 | 47% | 0.472 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.4 | -46.3 | 176.5 | -70 | 165.6 | 0 | 0 | 0 | 110.8 | N343 E344 K349 H350 L351 | N343-I347 WeakPolarHBondContact O-CB 3.32Å; N343-I347 WeakPolarHBondContact O-CD1 3.49Å; N343-I347 VanDerWaalsContact O-CG1 3.23Å; N343-I347 WeakPolarHBondContact O-CG1 3.25Å; N343-I347 PolarHBondContact O-N 3.42Å; E344-I347 PolarHBondContact O-N 2.98Å; I347-K349 VanDerWaalsContact C-N 3.29Å; I347-K349 PolarHBondContact O-N 2.86Å; I347-H350 PolarHBondContact O-N 2.88Å; I347-L351 HydrophobicContact CG2-CD1 3.95Å; I347-L351 HydrophobicContact CG2-CG 4.4Å; I347-L351 WeakPolarHBondContact O-CB 3.36Å; I347-L351 WeakPolarHBondContact O-CG 3.5Å; I347-L351 PolarHBondContact O-N 2.95Å |
| 348 | A | 52 | Low | 50.8 | Low | 49 Ų | 49 | 85 Ų | 85 | 41% | 0.405 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.7 | -40.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | E344 Q352 | E344-A348 VanDerWaalsContact O-CB 3.28Å; E344-A348 WeakPolarHBondContact O-CB 3.5Å; E344-A348 PolarHBondContact O-N 3.3Å; A348-Q352 WeakPolarHBondContact O-CB 3.49Å; A348-Q352 PolarHBondContact O-N 3.44Å |
| 349 | K | 60.5 | Low | 51.8 | Low | 153 Ų | 153 | 80.7 Ų | 80.7 | 67% | 0.665 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -68.1 | -41.6 | 176.2 | -165.8 | 174 | -176 | 178.9 | 0 | 112.3 | A345 A346 I347 Q352 C353 | A345-K349 VanDerWaalsContact O-CB 3.31Å; A345-K349 WeakPolarHBondContact O-CB 3.33Å; A345-K349 PolarHBondContact O-N 3.47Å; A346-K349 PolarHBondContact O-N 2.85Å; I347-K349 VanDerWaalsContact C-N 3.29Å; I347-K349 PolarHBondContact O-N 2.86Å; K349-Q352 PolarHBondContact O-N 2.84Å; K349-C353 PolarHBondContact O-N 2.91Å; K349-C353 PolarHBondContact O-SG 2.75Å; K349-C353 VanDerWaalsContact O-SG 3.34Å |
| 350 | H | 55.8 | Low | 52.9 | Low | 83 Ų | 83 | 79 Ų | 79 | 38% | 0.384 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 175.3 | -177.3 | 48.2 | 0 | 0 | 0 | 112.2 | A346 I347 C353 K354 | A346-H350 PolarHBondContact O-N 3.08Å; I347-H350 PolarHBondContact O-N 2.88Å; H350-C353 PolarHBondContact O-N 3.2Å; H350-K354 VanDerWaalsContact NE2-CE 3.32Å; H350-K354 WeakPolarHBondContact NE2-CE 3.36Å; H350-K354 PolarHBondContact NE2-NZ 3Å; H350-K354 PolarHBondContact O-N 3.49Å |
| 351 | L | 51 | Low | 53.6 | Low | 58 Ų | 58 | 73.7 Ų | 73.7 | 30% | 0.304 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 174.1 | -72.8 | 172 | 0 | 0 | 0 | 111.6 | I347 K354 V355 L432 | I347-L351 HydrophobicContact CG2-CD1 3.95Å; I347-L351 HydrophobicContact CG2-CG 4.4Å; I347-L351 WeakPolarHBondContact O-CB 3.36Å; I347-L351 WeakPolarHBondContact O-CG 3.5Å; I347-L351 PolarHBondContact O-N 2.95Å; L351-K354 PolarHBondContact O-N 3.05Å; L351-V355 WeakPolarHBondContact O-CG2 3.48Å; L351-V355 PolarHBondContact O-N 3.38Å; L351-L432 HydrophobicContact CD2-CD1 3.75Å |
| 352 | Q | 61 | Low | 54 | Low | 79 Ų | 79 | 72.2 Ų | 72.2 | 37% | 0.369 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.8 | -46 | 176 | -178.1 | 171.4 | -23.3 | 0 | 0 | 112.1 | R279 A348 K349 K354 V355 E356 | R279-Q352 VanDerWaalsContact NH2-CD 3.29Å; A348-Q352 WeakPolarHBondContact O-CB 3.49Å; A348-Q352 PolarHBondContact O-N 3.44Å; K349-Q352 PolarHBondContact O-N 2.84Å; Q352-K354 VanDerWaalsContact C-N 3.33Å; Q352-K354 PolarHBondContact O-N 3.24Å; Q352-V355 PolarHBondContact O-N 2.79Å; Q352-V355 VanDerWaalsContact O-N 3.14Å; Q352-E356 HydrophobicContact CG-CG 4.48Å; Q352-E356 VanDerWaalsContact CG-OE1 3.29Å; Q352-E356 WeakPolarHBondContact CG-OE1 3.36Å; Q352-E356 PolarHBondContact NE2-OE1 2.71Å; Q352-E356 PolarHBondContact O-N 2.84Å |
| 353 | C | 59.6 | Low | 54.4 | Low | 73 Ų | 73 | 73.7 Ų | 73.7 | 49% | 0.493 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.5 | -39.7 | 176.4 | -65.3 | 0 | 0 | 0 | 0 | 112.6 | K349 H350 E356 A357 | K349-C353 PolarHBondContact O-N 2.91Å; K349-C353 PolarHBondContact O-SG 2.75Å; K349-C353 VanDerWaalsContact O-SG 3.34Å; H350-C353 PolarHBondContact O-N 3.2Å; C353-E356 PolarHBondContact O-N 3.18Å; C353-A357 WeakPolarHBondContact O-CB 3.39Å; C353-A357 PolarHBondContact O-N 3.41Å |
| 354 | K | 55.4 | Low | 54.9 | Low | 69 Ų | 69 | 76.2 Ų | 76.2 | 30% | 0.3 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.5 | -37.4 | 174.5 | -85 | -176.4 | 168 | 170.6 | 0 | 112.5 | H350 L351 Q352 L358 S431 | H350-K354 VanDerWaalsContact NE2-CE 3.32Å; H350-K354 WeakPolarHBondContact NE2-CE 3.36Å; H350-K354 PolarHBondContact NE2-NZ 3Å; H350-K354 PolarHBondContact O-N 3.49Å; L351-K354 PolarHBondContact O-N 3.05Å; Q352-K354 VanDerWaalsContact C-N 3.33Å; Q352-K354 PolarHBondContact O-N 3.24Å; K354-L358 PolarHBondContact O-N 3.36Å; K354-S431 PolarHBondContact NZ-OG 2.74Å |
| 355 | V | 53.8 | Low | 55.1 | Low | 39 Ų | 39 | 72.9 Ų | 72.9 | 24% | 0.236 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -67.4 | -45.5 | 175.6 | 169.3 | 0 | 0 | 0 | 0 | 111.6 | L275 L351 Q352 A357 L358 E359 | L275-V355 HydrophobicContact CD1-CG1 4.14Å; L275-V355 HydrophobicContact CD1-CG2 4.16Å; L275-V355 HydrophobicContact CD2-CG2 4.05Å; L351-V355 WeakPolarHBondContact O-CG2 3.48Å; L351-V355 PolarHBondContact O-N 3.38Å; Q352-V355 PolarHBondContact O-N 2.79Å; Q352-V355 VanDerWaalsContact O-N 3.14Å; V355-A357 VanDerWaalsContact C-N 3.33Å; V355-A357 PolarHBondContact O-N 2.96Å; V355-L358 WeakPolarHBondContact O-CB 3.43Å; V355-L358 PolarHBondContact O-N 2.78Å; V355-E359 PolarHBondContact O-N 3.44Å |
| 356 | E | 61.3 | Low | 55 | Low | 87 Ų | 87 | 72 Ų | 72 | 41% | 0.407 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64 | -36.4 | 179 | -71.8 | 173.7 | -164.3 | 0 | 0 | 112.1 | Q352 C353 E359 N360 | Q352-E356 HydrophobicContact CG-CG 4.48Å; Q352-E356 VanDerWaalsContact CG-OE1 3.29Å; Q352-E356 WeakPolarHBondContact CG-OE1 3.36Å; Q352-E356 PolarHBondContact NE2-OE1 2.71Å; Q352-E356 PolarHBondContact O-N 2.84Å; C353-E356 PolarHBondContact O-N 3.18Å; E356-E359 PolarHBondContact O-N 3.32Å; E356-N360 VanDerWaalsContact O-CG 3.28Å; E356-N360 PolarHBondContact O-N 3.34Å; E356-N360 VanDerWaalsContact O-N 3.14Å; E356-N360 PolarHBondContact O-ND2 3.28Å; E356-N360 VanDerWaalsContact O-ND2 3.14Å |
| 357 | A | 57.4 | Low | 55.2 | Low | 63 Ų | 63 | 72.6 Ų | 72.6 | 52% | 0.521 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62 | -44.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | C353 V355 N360 G361 | C353-A357 WeakPolarHBondContact O-CB 3.39Å; C353-A357 PolarHBondContact O-N 3.41Å; V355-A357 VanDerWaalsContact C-N 3.33Å; V355-A357 PolarHBondContact O-N 2.96Å; A357-N360 PolarHBondContact O-N 3.08Å; A357-G361 PolarHBondContact O-N 3.37Å |
| 358 | L | 53.6 | Low | 55.5 | Low | 39 Ų | 39 | 74 Ų | 74 | 20% | 0.204 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 176.5 | -112.6 | 160.9 | 0 | 0 | 0 | 112.1 | K354 V355 N360 G361 I362 A428 | K354-L358 PolarHBondContact O-N 3.36Å; V355-L358 WeakPolarHBondContact O-CB 3.43Å; V355-L358 PolarHBondContact O-N 2.78Å; L358-N360 PolarHBondContact O-N 3.2Å; L358-G361 PolarHBondContact O-N 2.83Å; L358-I362 HydrophobicContact CD2-CD1 4.13Å; L358-I362 WeakPolarHBondContact O-CB 3.46Å; L358-I362 WeakPolarHBondContact O-CD1 3.41Å; L358-I362 VanDerWaalsContact O-CG1 3.25Å; L358-I362 WeakPolarHBondContact O-CG1 3.38Å; L358-I362 PolarHBondContact O-N 2.83Å; L358-I362 VanDerWaalsContact O-N 3.11Å; L358-A428 HydrophobicContact CD1-CB 3.92Å |
| 359 | E | 53.9 | Low | 55.3 | Low | 65 Ų | 65 | 73.5 Ų | 73.5 | 30% | 0.304 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66 | -20.4 | 176.6 | -73.2 | -165.7 | 172.6 | 0 | 0 | 113.8 | C272 V355 E356 R363 | C272-E359 PolarHBondContact SG-OE1 3.27Å; V355-E359 PolarHBondContact O-N 3.44Å; E356-E359 PolarHBondContact O-N 3.32Å; E359-R363 PolarHBondContact O-NE 3.02Å; E359-R363 PolarHBondContact O-NH2 3.01Å |
| 360 | N | 59.3 | Low | 55 | Low | 81 Ų | 81 | 70.1 Ų | 70.1 | 43% | 0.433 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -87.2 | -46.8 | 174.9 | -72.1 | -29.1 | 0 | 0 | 0 | 111.9 | E356 A357 L358 I362 R363 E364 | E356-N360 VanDerWaalsContact O-CG 3.28Å; E356-N360 PolarHBondContact O-N 3.34Å; E356-N360 VanDerWaalsContact O-N 3.14Å; E356-N360 PolarHBondContact O-ND2 3.28Å; E356-N360 VanDerWaalsContact O-ND2 3.14Å; A357-N360 PolarHBondContact O-N 3.08Å; L358-N360 PolarHBondContact O-N 3.2Å; N360-I362 VanDerWaalsContact C-N 3.33Å; N360-I362 PolarHBondContact O-N 3.47Å; N360-R363 WeakPolarHBondContact O-CA 3.43Å; N360-R363 WeakPolarHBondContact O-CB 3.36Å; N360-R363 PolarHBondContact O-N 2.98Å; N360-R363 PolarHBondContact OD1-NH1 2.94Å; N360-R363 PolarHBondContact OD1-NH2 2.99Å; N360-E364 PolarHBondContact O-N 3.19Å; N360-E364 VanDerWaalsContact O-N 3.09Å |
| 361 | G | 54.9 | Low | 55 | Low | 30 Ų | 30 | 69.4 Ų | 69.4 | 31% | 0.309 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.3 | -38.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A357 L358 R363 E364 C365 | A357-G361 PolarHBondContact O-N 3.37Å; L358-G361 PolarHBondContact O-N 2.83Å; G361-R363 PolarHBondContact O-N 3.27Å; G361-E364 PolarHBondContact O-N 2.87Å; G361-C365 PolarHBondContact O-N 3.42Å; G361-C365 VanDerWaalsContact O-N 3.15Å; G361-C365 PolarHBondContact O-SG 3.42Å |
| 362 | I | 51.7 | Low | 55.1 | Low | 30 Ų | 30 | 68.3 Ų | 68.3 | 15% | 0.154 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -55.4 | -35.2 | 170.2 | -76.4 | 169.5 | 0 | 0 | 0 | 112 | I268 L358 N360 Y366 L421 | I268-I362 HydrophobicContact CD1-CG2 3.33Å; I268-I362 HydrophobicContact CG1-CG2 3.77Å; I268-I362 HydrophobicContact CG2-CG2 4.5Å; L358-I362 HydrophobicContact CD2-CD1 4.13Å; L358-I362 WeakPolarHBondContact O-CB 3.46Å; L358-I362 WeakPolarHBondContact O-CD1 3.41Å; L358-I362 VanDerWaalsContact O-CG1 3.25Å; L358-I362 WeakPolarHBondContact O-CG1 3.38Å; L358-I362 PolarHBondContact O-N 2.83Å; L358-I362 VanDerWaalsContact O-N 3.11Å; N360-I362 VanDerWaalsContact C-N 3.33Å; N360-I362 PolarHBondContact O-N 3.47Å; I362-Y366 PolarHBondContact O-N 3.46Å; I362-L421 HydrophobicContact CD1-CD1 4.31Å; I362-L421 HydrophobicContact CG1-CD1 3.59Å |
| 363 | R | 57.2 | Low | 54.5 | Low | 144 Ų | 144 | 66.4 Ų | 66.4 | 54% | 0.543 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -76.2 | -40 | -177.1 | -137.7 | 176.1 | -59 | 152.7 | 10.1 | 111.7 | E359 N360 G361 Y366 S367 | E359-R363 PolarHBondContact O-NE 3.02Å; E359-R363 PolarHBondContact O-NH2 3.01Å; N360-R363 WeakPolarHBondContact O-CA 3.43Å; N360-R363 WeakPolarHBondContact O-CB 3.36Å; N360-R363 PolarHBondContact O-N 2.98Å; N360-R363 PolarHBondContact OD1-NH1 2.94Å; N360-R363 PolarHBondContact OD1-NH2 2.99Å; G361-R363 PolarHBondContact O-N 3.27Å; R363-Y366 WeakPolarHBondContact O-CB 3.46Å; R363-Y366 PolarHBondContact O-N 2.89Å; R363-S367 PolarHBondContact O-N 3.49Å; R363-S367 VanDerWaalsContact O-N 3.12Å |
| 364 | E | 55.9 | Low | 54.2 | Low | 129 Ų | 129 | 65.3 Ų | 65.3 | 60% | 0.603 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63.8 | -50.3 | 175.2 | -72.5 | -170.2 | 125.3 | 0 | 0 | 111.3 | N360 G361 Y366 S367 E368 | N360-E364 PolarHBondContact O-N 3.19Å; N360-E364 VanDerWaalsContact O-N 3.09Å; G361-E364 PolarHBondContact O-N 2.87Å; E364-Y366 PolarHBondContact O-N 3.3Å; E364-Y366 VanDerWaalsContact O-N 3.16Å; E364-S367 WeakPolarHBondContact O-CA 3.49Å; E364-S367 WeakPolarHBondContact O-CB 3.42Å; E364-S367 PolarHBondContact O-N 2.78Å; E364-S367 PolarHBondContact O-OG 2.85Å; E364-E368 PolarHBondContact O-N 3.16Å |
| 365 | C | 49.2 | Very low | 54.1 | Low | 47 Ų | 47 | 66.2 Ų | 66.2 | 32% | 0.318 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -56.8 | -34.3 | 177.1 | -64.9 | 0 | 0 | 0 | 0 | 113 | G361 L369 | G361-C365 PolarHBondContact O-N 3.42Å; G361-C365 VanDerWaalsContact O-N 3.15Å; G361-C365 PolarHBondContact O-SG 3.42Å; C365-L369 WeakPolarHBondContact O-CB 3.21Å; C365-L369 PolarHBondContact O-N 3.34Å |
| 366 | Y | 50.5 | Low | 53.8 | Low | 42 Ų | 42 | 66.3 Ų | 66.3 | 17% | 0.165 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.7 | -38.7 | 173.7 | -118.9 | -80.5 | 0 | 0 | 0 | 112.9 | E261 N264 V265 I268 I362 R363 E364 N370 | E261-Y366 PolarHBondContact O-OH 3.35Å; N264-Y366 HydrophobicContact CB-CE2 3.73Å; N264-Y366 WeakPolarHBondContact CB-OH 3.4Å; V265-Y366 PolarHBondContact N-OH 2.86Å; I268-Y366 HydrophobicContact CD1-CD2 4.08Å; I268-Y366 HydrophobicContact CD1-CE2 3.54Å; I362-Y366 PolarHBondContact O-N 3.46Å; R363-Y366 WeakPolarHBondContact O-CB 3.46Å; R363-Y366 PolarHBondContact O-N 2.89Å; E364-Y366 PolarHBondContact O-N 3.3Å; E364-Y366 VanDerWaalsContact O-N 3.16Å; Y366-N370 WeakPolarHBondContact O-CB 3.38Å; Y366-N370 PolarHBondContact O-N 3.3Å |
| 367 | S | 56.8 | Low | 53.2 | Low | 72 Ų | 72 | 67.7 Ų | 67.7 | 50% | 0.503 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -69.8 | -37.4 | 178.3 | 73 | 0 | 0 | 0 | 0 | 112.3 | R363 E364 S371 | R363-S367 PolarHBondContact O-N 3.49Å; R363-S367 VanDerWaalsContact O-N 3.12Å; E364-S367 WeakPolarHBondContact O-CA 3.49Å; E364-S367 WeakPolarHBondContact O-CB 3.42Å; E364-S367 PolarHBondContact O-N 2.78Å; E364-S367 PolarHBondContact O-OG 2.85Å; S367-S371 PolarHBondContact O-N 3.21Å; S367-S371 VanDerWaalsContact O-N 3.12Å |
| 368 | E | 53.9 | Low | 53.1 | Low | 122 Ų | 122 | 71.5 Ų | 71.5 | 57% | 0.57 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -64.7 | -47.5 | 171.7 | -66.7 | -169.4 | 140.2 | 0 | 0 | 111.4 | E364 N370 S371 V372 | E364-E368 PolarHBondContact O-N 3.16Å; E368-N370 VanDerWaalsContact C-N 3.29Å; E368-N370 PolarHBondContact O-N 2.92Å; E368-S371 PolarHBondContact O-N 3.36Å; E368-S371 VanDerWaalsContact O-N 3.12Å; E368-S371 PolarHBondContact O-OG 3.48Å; E368-V372 WeakPolarHBondContact O-CG2 3.38Å; E368-V372 PolarHBondContact O-N 2.96Å |
| 369 | L | 49.2 | Very low | 52.5 | Low | 38 Ų | 38 | 73 Ų | 73 | 20% | 0.199 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -58.2 | -41.6 | 178 | 179 | 59.1 | 0 | 0 | 0 | 112.2 | C365 V372 L373 L414 | C365-L369 WeakPolarHBondContact O-CB 3.21Å; C365-L369 PolarHBondContact O-N 3.34Å; L369-V372 PolarHBondContact O-N 2.85Å; L369-L373 HydrophobicContact CD1-CD1 4.36Å; L369-L373 HydrophobicContact CG-CD1 4.27Å; L369-L373 WeakPolarHBondContact O-CB 3.43Å; L369-L373 PolarHBondContact O-N 3.49Å; L369-L414 HydrophobicContact CD1-CD1 3.64Å; L369-L414 HydrophobicContact CD1-CG 4.01Å |
| 370 | N | 53 | Low | 51.7 | Low | 83 Ų | 83 | 74.4 Ų | 74.4 | 44% | 0.444 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -67.2 | -34.7 | 177.1 | -78.5 | -3.4 | 0 | 0 | 0 | 112.8 | Y366 E368 L373 A374 | Y366-N370 WeakPolarHBondContact O-CB 3.38Å; Y366-N370 PolarHBondContact O-N 3.3Å; E368-N370 VanDerWaalsContact C-N 3.29Å; E368-N370 PolarHBondContact O-N 2.92Å; N370-L373 PolarHBondContact O-N 3.45Å; N370-A374 WeakPolarHBondContact O-CB 3.26Å; N370-A374 PolarHBondContact O-N 2.82Å |
| 371 | S | 57.3 | Low | 50.8 | Low | 67 Ų | 67 | 75.2 Ų | 75.2 | 47% | 0.469 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -71.1 | -36.1 | 176.3 | 77.1 | 0 | 0 | 0 | 0 | 112.3 | S367 E368 S375 | S367-S371 PolarHBondContact O-N 3.21Å; S367-S371 VanDerWaalsContact O-N 3.12Å; E368-S371 PolarHBondContact O-N 3.36Å; E368-S371 VanDerWaalsContact O-N 3.12Å; E368-S371 PolarHBondContact O-OG 3.48Å; S371-S375 WeakPolarHBondContact O-CB 3.25Å; S371-S375 PolarHBondContact O-N 3.11Å; S371-S375 PolarHBondContact O-OG 2.71Å |
| 372 | V | 51.5 | Low | 50.1 | Low | 36 Ų | 36 | 79.8 Ų | 79.8 | 22% | 0.218 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -67.2 | -40.5 | 173.2 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | E368 L369 S375 L376 A410 | E368-V372 WeakPolarHBondContact O-CG2 3.38Å; E368-V372 PolarHBondContact O-N 2.96Å; L369-V372 PolarHBondContact O-N 2.85Å; V372-S375 PolarHBondContact O-N 2.89Å; V372-L376 HydrophobicContact CG1-CD1 4.43Å; V372-L376 PolarHBondContact O-N 2.67Å; V372-L376 VanDerWaalsContact O-N 3.12Å; V372-A410 HydrophobicContact CG1-CB 3.46Å; V372-A410 VanDerWaalsContact CG1-CB 3.46Å |
| 373 | L | 49.4 | Very low | 49.4 | Very low | 38 Ų | 38 | 85.3 Ų | 85.3 | 20% | 0.199 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 174.7 | -88.9 | 164.8 | 0 | 0 | 0 | 112.6 | I253 A257 L369 N370 S375 L376 M377 | I253-L373 HydrophobicContact CG2-CD2 4.21Å; A257-L373 HydrophobicContact CB-CD1 4.07Å; A257-L373 HydrophobicContact CB-CD2 4.05Å; L369-L373 HydrophobicContact CD1-CD1 4.36Å; L369-L373 HydrophobicContact CG-CD1 4.27Å; L369-L373 WeakPolarHBondContact O-CB 3.43Å; L369-L373 PolarHBondContact O-N 3.49Å; N370-L373 PolarHBondContact O-N 3.45Å; L373-S375 VanDerWaalsContact C-N 3.34Å; L373-S375 PolarHBondContact O-N 3.01Å; L373-L376 PolarHBondContact O-N 3.5Å; L373-M377 PolarHBondContact O-N 3.18Å; L373-M377 VanDerWaalsContact O-N 3.14Å |
| 374 | A | 53.6 | Low | 48.3 | Very low | 50 Ų | 50 | 83.1 Ų | 83.1 | 41% | 0.413 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.4 | -46.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | N370 L376 M377 D378 | N370-A374 WeakPolarHBondContact O-CB 3.26Å; N370-A374 PolarHBondContact O-N 2.82Å; A374-L376 PolarHBondContact O-N 3.22Å; A374-M377 PolarHBondContact O-N 3.38Å; A374-D378 PolarHBondContact O-N 2.86Å |
| 375 | S | 52.4 | Low | 47.3 | Very low | 89 Ų | 89 | 82 Ų | 82 | 62% | 0.622 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.5 | -25.7 | 177.5 | -56.3 | 0 | 0 | 0 | 0 | 113.9 | S371 V372 L373 | S371-S375 WeakPolarHBondContact O-CB 3.25Å; S371-S375 PolarHBondContact O-N 3.11Å; S371-S375 PolarHBondContact O-OG 2.71Å; V372-S375 PolarHBondContact O-N 2.89Å; L373-S375 VanDerWaalsContact C-N 3.34Å; L373-S375 PolarHBondContact O-N 3.01Å |
| 376 | L | 47.1 | Very low | 46.6 | Very low | 40 Ų | 40 | 84.1 Ų | 84.1 | 21% | 0.209 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -86.8 | -18 | 174.5 | -88.9 | 162.4 | 0 | 0 | 0 | 113.5 | V372 L373 A374 L407 A410 | V372-L376 HydrophobicContact CG1-CD1 4.43Å; V372-L376 PolarHBondContact O-N 2.67Å; V372-L376 VanDerWaalsContact O-N 3.12Å; L373-L376 PolarHBondContact O-N 3.5Å; A374-L376 PolarHBondContact O-N 3.22Å; L376-L407 HydrophobicContact CD1-CD1 4.14Å; L376-L407 HydrophobicContact CD2-CD1 4.02Å; L376-A410 HydrophobicContact CD1-CB 3.92Å |
| 377 | M | 50.1 | Low | 46 | Very low | 117 Ų | 117 | 89.7 Ų | 89.7 | 58% | 0.576 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -90.6 | -24.2 | 179.3 | -77.9 | -177.8 | 50.1 | 0 | 0 | 113.8 | L373 A374 V379 | L373-M377 PolarHBondContact O-N 3.18Å; L373-M377 VanDerWaalsContact O-N 3.14Å; A374-M377 PolarHBondContact O-N 3.38Å; M377-V379 PolarHBondContact O-N 3.39Å |
| 378 | D | 54 | Low | 44.8 | Very low | 142 Ų | 142 | 90 Ų | 90 | 76% | 0.759 | 54% | 0.544 | S | S | * | . | trans | -79.7 | 11.2 | -177.9 | -84.1 | -18.5 | 0 | 0 | 0 | 114.8 | A374 P380 | A374-D378 PolarHBondContact O-N 2.86Å; D378-P380 WeakPolarHBondContact O-CD 3.37Å | ||
| 379 | V | 42.1 | Very low | 43.8 | Very low | 72 Ų | 72 | 93.4 Ų | 93.4 | 44% | 0.436 | 56% | 0.56 | S | S | . | * | trans | -82.2 | 114 | 171.4 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | M377 L403 | M377-V379 PolarHBondContact O-N 3.39Å; V379-L403 HydrophobicContact CG1-CD1 4.48Å | ||
| 380 | P | 37.1 | Very low | 43 | Very low | 94 Ų | 94 | 97.1 Ų | 97.1 | 61% | 0.61 | 59% | 0.59 | S | S | * | * | trans | -72 | 145 | -177.2 | 29.5 | -35.1 | 0 | 0 | 0 | 111.9 | D378 V382 | D378-P380 WeakPolarHBondContact O-CD 3.37Å; P380-V382 PolarHBondContact O-N 2.96Å | ||
| 381 | P | 40.1 | Very low | 41.9 | Very low | 98 Ų | 98 | 96.4 Ų | 96.4 | 64% | 0.636 | 60% | 0.602 | S | S | * | * | trans | -64.6 | 129.6 | 174 | 27.8 | -33.9 | 0 | 0 | 0 | 110.4 | D383 | P381-D383 VanDerWaalsContact C-N 3.3Å; P381-D383 PolarHBondContact O-N 2.97Å; P381-D383 VanDerWaalsContact O-N 3.11Å | ||
| 382 | V | 41.1 | Very low | 40.6 | Very low | 126 Ų | 126 | 97.7 Ų | 97.7 | 76% | 0.764 | 62% | 0.617 | S | S | * | * | trans | -88.9 | 72.3 | 178.8 | -177.1 | 0 | 0 | 0 | 0 | 109.3 | P380 V384 | P380-V382 PolarHBondContact O-N 2.96Å; V382-V384 HydrophobicContact CG1-CG2 3.96Å; V382-V384 PolarHBondContact O-N 3.28Å | ||
| 383 | D | 35.3 | Very low | 39.7 | Very low | 145 Ų | 145 | 102.3 Ų | 102.3 | 78% | 0.775 | 65% | 0.645 | S | S | * | * | trans | -69.3 | 91.5 | 174.2 | -73.9 | -38.8 | 0 | 0 | 0 | 110.6 | P381 | P381-D383 VanDerWaalsContact C-N 3.3Å; P381-D383 PolarHBondContact O-N 2.97Å; P381-D383 VanDerWaalsContact O-N 3.11Å | ||
| 384 | V | 34.5 | Very low | 38.8 | Very low | 98 Ų | 98 | 107.5 Ų | 107.5 | 59% | 0.594 | 67% | 0.666 | S | S | * | * | trans | -104.2 | 120.4 | 169 | 176.1 | 0 | 0 | 0 | 0 | 108.5 | V382 | V382-V384 HydrophobicContact CG1-CG2 3.96Å; V382-V384 PolarHBondContact O-N 3.28Å | ||
| 385 | P | 35.1 | Very low | 37.9 | Very low | 105 Ų | 105 | 109 Ų | 109 | 68% | 0.682 | 67% | 0.671 | S | S | * | * | trans | -66.7 | 156.9 | -176.6 | 27.5 | -34.9 | 0 | 0 | 0 | 112.6 | D387 | P385-D387 PolarHBondContact O-N 2.77Š| ||
| 386 | A | 35.3 | Very low | 37.4 | Very low | 92 Ų | 92 | 107.6 Ų | 107.6 | 76% | 0.76 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -74.1 | -16.5 | -164.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | A388 | A386-A388 PolarHBondContact O-N 3.3Š|
| 387 | D | 36.8 | Very low | 37.3 | Very low | 159 Ų | 159 | 107.7 Ų | 107.7 | 85% | 0.85 | 66% | 0.663 | S | S | * | * | trans | -83.9 | 26.6 | -162.9 | -55.4 | -47.2 | 0 | 0 | 0 | 115.4 | P385 | P385-D387 PolarHBondContact O-N 2.77Š| ||
| 388 | A | 32.7 | Very low | 37 | Very low | 78 Ų | 78 | 105.6 Ų | 105.6 | 65% | 0.645 | 66% | 0.659 | S | S | * | * | trans | -103.4 | 42.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | A386 S390 | A386-A388 PolarHBondContact O-N 3.3Å; A388-S390 PolarHBondContact O-N 2.86Å | ||
| 389 | E | 32.4 | Very low | 36.5 | Very low | 194 Ų | 194 | 101.5 Ų | 101.5 | 91% | 0.907 | 64% | 0.642 | S | S | * | * | trans | -73.3 | 44.2 | -179.1 | -68.6 | -157.6 | 134.5 | 0 | 0 | 115.4 | ||||
| 390 | S | 32.6 | Very low | 36.7 | Very low | 116 Ų | 116 | 100 Ų | 100 | 81% | 0.811 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -163.5 | 122.8 | 154.3 | 55.2 | 0 | 0 | 0 | 0 | 112.2 | A388 | A388-S390 PolarHBondContact O-N 2.86Š|
| 391 | G | 29.5 | Very low | 37.5 | Very low | 69 Ų | 69 | 98.4 Ų | 98.4 | 71% | 0.711 | 62% | 0.621 | S | S | * | * | trans | 96.9 | 60.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | T393 | G391-T393 VanDerWaalsContact C-N 3.33Å; G391-T393 PolarHBondContact O-N 3.29Å | ||
| 392 | A | 30.1 | Very low | 38 | Very low | 93 Ų | 93 | 96.5 Ų | 96.5 | 77% | 0.769 | 61% | 0.613 | S | S | * | * | trans | -67.5 | 85.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | F394 | A392-F394 PolarHBondContact O-N 3.2Š| ||
| 393 | T | 31.7 | Very low | 38.5 | Very low | 133 Ų | 133 | 93.6 Ų | 93.6 | 82% | 0.816 | 59% | 0.593 | S | S | * | * | trans | -57.7 | 123.8 | 160.6 | 37.1 | 0 | 0 | 0 | 0 | 109 | G391 V395 | G391-T393 VanDerWaalsContact C-N 3.33Å; G391-T393 PolarHBondContact O-N 3.29Å; T393-V395 PolarHBondContact O-N 3.25Å | ||
| 394 | F | 30.4 | Very low | 39.2 | Very low | 147 Ų | 147 | 87.7 Ų | 87.7 | 65% | 0.645 | 56% | 0.564 | S | S | * | * | trans | -62.4 | 121.4 | -170.4 | -79.7 | -148.3 | 0 | 0 | 0 | 110.9 | A392 S396 | A392-F394 PolarHBondContact O-N 3.2Å; F394-S396 PolarHBondContact O-N 3.27Å; F394-S396 VanDerWaalsContact O-N 3.13Å | ||
| 395 | V | 36.2 | Very low | 40.2 | Very low | 83 Ų | 83 | 88.3 Ų | 88.3 | 50% | 0.503 | 56% | 0.56 | S | S | . | * | trans | -62.2 | 114.5 | 152.7 | 178.5 | 0 | 0 | 0 | 0 | 105.9 | T393 | T393-V395 PolarHBondContact O-N 3.25Š| ||
| 396 | S | 41.3 | Very low | 41 | Very low | 59 Ų | 59 | 85.9 Ų | 85.9 | 41% | 0.413 | 55% | 0.546 | S | S | . | . | trans | -60.3 | 138.3 | -175.2 | 177.6 | 0 | 0 | 0 | 0 | 110.8 | F394 S398 S399 | F394-S396 PolarHBondContact O-N 3.27Å; F394-S396 VanDerWaalsContact O-N 3.13Å; S396-S398 WeakPolarHBondContact CB-OG 3.48Å; S396-S398 PolarHBondContact O-N 2.87Å; S396-S398 PolarHBondContact OG-N 3.48Å; S396-S398 PolarHBondContact OG-OG 3.19Å; S396-S399 PolarHBondContact O-N 3.29Å; S396-S399 VanDerWaalsContact O-N 3.09Å; S396-S399 PolarHBondContact O-OG 3.05Å; S396-S399 VanDerWaalsContact O-OG 3.09Å | ||
| 397 | T | 44.2 | Very low | 41.7 | Very low | 42 Ų | 42 | 83.7 Ų | 83.7 | 26% | 0.258 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -51.8 | -26.2 | 172.3 | -14.3 | 0 | 0 | 0 | 0 | 111.9 | L192 F239 S399 L401 | L192-T397 HydrophobicContact CD2-CG2 4.41Å; F239-T397 HydrophobicContact CZ-CG2 4.37Å; T397-S399 PolarHBondContact O-N 3Å; T397-L401 WeakPolarHBondContact O-CB 3.22Å; T397-L401 PolarHBondContact O-N 3.28Å |
| 398 | S | 44.8 | Very low | 42.5 | Very low | 72 Ų | 72 | 77.4 Ų | 77.4 | 50% | 0.503 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.2 | -27.5 | 179.1 | 63.7 | 0 | 0 | 0 | 0 | 115.6 | S396 A402 | S396-S398 WeakPolarHBondContact CB-OG 3.48Å; S396-S398 PolarHBondContact O-N 2.87Å; S396-S398 PolarHBondContact OG-N 3.48Å; S396-S398 PolarHBondContact OG-OG 3.19Å; S398-A402 WeakPolarHBondContact O-CB 3.47Å; S398-A402 PolarHBondContact O-N 3.44Å |
| 399 | S | 43.2 | Very low | 43.7 | Very low | 57 Ų | 57 | 80.4 Ų | 80.4 | 40% | 0.399 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -72.9 | -49.6 | -175 | 58.5 | 0 | 0 | 0 | 0 | 111.9 | S396 T397 L401 A402 L403 | S396-S399 PolarHBondContact O-N 3.29Å; S396-S399 VanDerWaalsContact O-N 3.09Å; S396-S399 PolarHBondContact O-OG 3.05Å; S396-S399 VanDerWaalsContact O-OG 3.09Å; T397-S399 PolarHBondContact O-N 3Å; S399-L401 VanDerWaalsContact C-N 3.27Å; S399-L401 PolarHBondContact O-N 3.41Å; S399-A402 PolarHBondContact O-N 3.39Å; S399-L403 PolarHBondContact O-N 2.78Å; S399-L403 VanDerWaalsContact O-N 3.16Å |
| 400 | C | 47.3 | Very low | 44.5 | Very low | 41 Ų | 41 | 71.8 Ų | 71.8 | 28% | 0.277 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.5 | -34.7 | 173.6 | -58.2 | 0 | 0 | 0 | 0 | 111.8 | A404 | C400-A404 PolarHBondContact O-N 2.87Å; C400-A404 VanDerWaalsContact O-N 3.17Å |
| 401 | L | 52.5 | Low | 45.4 | Very low | 60 Ų | 60 | 70 Ų | 70 | 31% | 0.314 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 173.4 | -112 | 156.6 | 0 | 0 | 0 | 112.1 | T397 S399 Q405 | T397-L401 WeakPolarHBondContact O-CB 3.22Å; T397-L401 PolarHBondContact O-N 3.28Å; S399-L401 VanDerWaalsContact C-N 3.27Å; S399-L401 PolarHBondContact O-N 3.41Å; L401-Q405 HydrophobicContact CD2-CG 4.49Å; L401-Q405 WeakPolarHBondContact O-CB 3.29Å; L401-Q405 VanDerWaalsContact O-CG 3.24Å; L401-Q405 WeakPolarHBondContact O-CG 3.39Å; L401-Q405 PolarHBondContact O-N 3.4Å |
| 402 | A | 51.1 | Low | 46.8 | Very low | 57 Ų | 57 | 71.4 Ų | 71.4 | 47% | 0.471 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65 | -42.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S398 S399 Q405 S406 | S398-A402 WeakPolarHBondContact O-CB 3.47Å; S398-A402 PolarHBondContact O-N 3.44Å; S399-A402 PolarHBondContact O-N 3.39Å; A402-Q405 PolarHBondContact O-N 2.89Å; A402-S406 PolarHBondContact O-N 3.28Å |
| 403 | L | 51.1 | Low | 47.8 | Very low | 65 Ų | 65 | 72.7 Ų | 72.7 | 34% | 0.34 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.1 | -42.1 | 179.3 | -154.6 | 164.7 | 0 | 0 | 0 | 111.3 | V379 S399 S406 L407 | V379-L403 HydrophobicContact CG1-CD1 4.48Å; S399-L403 PolarHBondContact O-N 2.78Å; S399-L403 VanDerWaalsContact O-N 3.16Å; L403-S406 PolarHBondContact O-N 3.32Å; L403-S406 PolarHBondContact O-OG 3.4Å; L403-L407 PolarHBondContact O-N 3.04Å |
| 404 | A | 50.8 | Low | 48.7 | Very low | 21 Ų | 21 | 69.3 Ų | 69.3 | 17% | 0.174 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -73.3 | -28.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | W185 C400 G408 | W185-A404 HydrophobicContact CD2-CB 4.29Å; W185-A404 HydrophobicContact CE3-CB 4.36Å; W185-A404 HydrophobicContact CH2-CB 3.19Å; W185-A404 HydrophobicContact CZ2-CB 3.03Å; W185-A404 HydrophobicContact CZ3-CB 3.86Å; C400-A404 PolarHBondContact O-N 2.87Å; C400-A404 VanDerWaalsContact O-N 3.17Å; A404-G408 PolarHBondContact O-N 3.03Å |
| 405 | Q | 55.9 | Low | 50 | Low | 111 Ų | 111 | 68.7 Ų | 68.7 | 52% | 0.519 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68.3 | -35.2 | 171.2 | -79.5 | -179.7 | 14 | 0 | 0 | 112.3 | L401 A402 K409 | L401-Q405 HydrophobicContact CD2-CG 4.49Å; L401-Q405 WeakPolarHBondContact O-CB 3.29Å; L401-Q405 VanDerWaalsContact O-CG 3.24Å; L401-Q405 WeakPolarHBondContact O-CG 3.39Å; L401-Q405 PolarHBondContact O-N 3.4Å; A402-Q405 PolarHBondContact O-N 2.89Å; Q405-K409 WeakPolarHBondContact O-CB 3.45Å; Q405-K409 VanDerWaalsContact O-CG 3.28Å; Q405-K409 WeakPolarHBondContact O-CG 3.4Å; Q405-K409 PolarHBondContact O-N 2.87Å; Q405-K409 VanDerWaalsContact O-N 3.08Å |
| 406 | S | 51.3 | Low | 51.1 | Low | 54 Ų | 54 | 69.9 Ų | 69.9 | 38% | 0.378 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -69.8 | -44.1 | 172.6 | 69.5 | 0 | 0 | 0 | 0 | 111.1 | A402 L403 G408 K409 A410 | A402-S406 PolarHBondContact O-N 3.28Å; L403-S406 PolarHBondContact O-N 3.32Å; L403-S406 PolarHBondContact O-OG 3.4Å; S406-G408 PolarHBondContact O-N 2.91Å; S406-K409 PolarHBondContact O-N 3.5Å; S406-A410 WeakPolarHBondContact O-CB 3.3Å; S406-A410 PolarHBondContact O-N 3.27Å |
| 407 | L | 50.9 | Low | 51.6 | Low | 46 Ų | 46 | 68.4 Ų | 68.4 | 24% | 0.241 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59.3 | -44.6 | 175 | -163.6 | 75.4 | 0 | 0 | 0 | 112 | I253 L376 L403 A410 V411 | I253-L407 HydrophobicContact CD1-CD1 3.77Å; L376-L407 HydrophobicContact CD1-CD1 4.14Å; L376-L407 HydrophobicContact CD2-CD1 4.02Å; L403-L407 PolarHBondContact O-N 3.04Å; L407-A410 PolarHBondContact O-N 3.32Å; L407-V411 WeakPolarHBondContact O-CG2 3.5Å; L407-V411 PolarHBondContact O-N 3.33Å |
| 408 | G | 53.1 | Low | 52 | Low | 27 Ų | 27 | 70.3 Ų | 70.3 | 28% | 0.278 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | A404 S406 V411 V412 | A404-G408 PolarHBondContact O-N 3.03Å; S406-G408 PolarHBondContact O-N 2.91Å; G408-V411 PolarHBondContact O-N 3.4Å; G408-V412 WeakPolarHBondContact O-CG2 3.37Å; G408-V412 PolarHBondContact O-N 3.24Å |
| 409 | K | 57.1 | Low | 53 | Low | 141 Ų | 141 | 73 Ų | 73 | 61% | 0.613 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -62.5 | -44 | 173.5 | -76.4 | 173 | -179.5 | 179.1 | 0 | 111.9 | Q405 S406 V412 Q413 | Q405-K409 WeakPolarHBondContact O-CB 3.45Å; Q405-K409 VanDerWaalsContact O-CG 3.28Å; Q405-K409 WeakPolarHBondContact O-CG 3.4Å; Q405-K409 PolarHBondContact O-N 2.87Å; Q405-K409 VanDerWaalsContact O-N 3.08Å; S406-K409 PolarHBondContact O-N 3.5Å; K409-V412 PolarHBondContact O-N 2.87Å; K409-Q413 PolarHBondContact O-N 3.49Å |
| 410 | A | 49.5 | Very low | 53.7 | Low | 13 Ų | 13 | 74.2 Ų | 74.2 | 11% | 0.107 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -59.6 | -47.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V372 L376 S406 L407 V412 Q413 L414 | V372-A410 HydrophobicContact CG1-CB 3.46Å; V372-A410 VanDerWaalsContact CG1-CB 3.46Å; L376-A410 HydrophobicContact CD1-CB 3.92Å; S406-A410 WeakPolarHBondContact O-CB 3.3Å; S406-A410 PolarHBondContact O-N 3.27Å; L407-A410 PolarHBondContact O-N 3.32Å; A410-V412 VanDerWaalsContact C-N 3.33Å; A410-V412 PolarHBondContact O-N 2.88Å; A410-Q413 PolarHBondContact O-N 2.86Å; A410-L414 VanDerWaalsContact O-CB 3.31Å; A410-L414 WeakPolarHBondContact O-CB 3.37Å; A410-L414 PolarHBondContact O-N 3.5Å |
| 411 | V | 51.8 | Low | 54 | Low | 78 Ų | 78 | 75.6 Ų | 75.6 | 47% | 0.473 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.4 | -37.3 | 177.2 | 173.1 | 0 | 0 | 0 | 0 | 112 | L407 G408 K415 | L407-V411 WeakPolarHBondContact O-CG2 3.5Å; L407-V411 PolarHBondContact O-N 3.33Å; G408-V411 PolarHBondContact O-N 3.4Å; V411-K415 PolarHBondContact O-N 3.48Å |
| 412 | V | 58 | Low | 54.2 | Low | 100 Ų | 100 | 77.4 Ų | 77.4 | 61% | 0.606 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -68.2 | -44.8 | 176.2 | 169.5 | 0 | 0 | 0 | 0 | 111.7 | G408 K409 A410 K415 L416 | G408-V412 WeakPolarHBondContact O-CG2 3.37Å; G408-V412 PolarHBondContact O-N 3.24Å; K409-V412 PolarHBondContact O-N 2.87Å; A410-V412 VanDerWaalsContact C-N 3.33Å; A410-V412 PolarHBondContact O-N 2.88Å; V412-K415 PolarHBondContact O-N 2.88Å; V412-L416 WeakPolarHBondContact O-CB 3.19Å; V412-L416 PolarHBondContact O-N 2.87Å |
| 413 | Q | 51.8 | Low | 54.8 | Low | 119 Ų | 119 | 79.1 Ų | 79.1 | 56% | 0.556 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -63.9 | -41.8 | 176 | -77 | -173.6 | -44.2 | 0 | 0 | 112 | K409 A410 K415 L416 A417 | K409-Q413 PolarHBondContact O-N 3.49Å; A410-Q413 PolarHBondContact O-N 2.86Å; Q413-K415 PolarHBondContact O-N 2.84Å; Q413-L416 PolarHBondContact O-N 3.34Å; Q413-L416 VanDerWaalsContact O-N 3.12Å; Q413-A417 WeakPolarHBondContact O-CB 3.35Å; Q413-A417 PolarHBondContact O-N 2.89Å |
| 414 | L | 50.2 | Low | 55 | Low | 63 Ų | 63 | 79 Ų | 79 | 33% | 0.33 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.2 | -44.3 | 176.8 | -162 | 165.2 | 0 | 0 | 0 | 111 | L369 A410 Q418 | L369-L414 HydrophobicContact CD1-CD1 3.64Å; L369-L414 HydrophobicContact CD1-CG 4.01Å; A410-L414 VanDerWaalsContact O-CB 3.31Å; A410-L414 WeakPolarHBondContact O-CB 3.37Å; A410-L414 PolarHBondContact O-N 3.5Å; L414-Q418 WeakPolarHBondContact O-CB 3.47Å; L414-Q418 PolarHBondContact O-N 3.45Å |
| 415 | K | 58.4 | Low | 55.1 | Low | 134 Ų | 134 | 81.1 Ų | 81.1 | 58% | 0.583 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -64.9 | -35.7 | 173.2 | -78.8 | -167.7 | 173.4 | -169.1 | 0 | 113.6 | V411 V412 Q413 K419 | V411-K415 PolarHBondContact O-N 3.48Å; V412-K415 PolarHBondContact O-N 2.88Å; Q413-K415 PolarHBondContact O-N 2.84Å; K415-K419 WeakPolarHBondContact O-CB 3.36Å; K415-K419 PolarHBondContact O-N 3.09Å |
| 416 | L | 59.8 | Low | 55.5 | Low | 107 Ų | 107 | 79 Ų | 79 | 56% | 0.56 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -68 | -46 | 177.7 | -160.9 | 77.8 | 0 | 0 | 0 | 111 | V412 Q413 K419 N420 | V412-L416 WeakPolarHBondContact O-CB 3.19Å; V412-L416 PolarHBondContact O-N 2.87Å; Q413-L416 PolarHBondContact O-N 3.34Å; Q413-L416 VanDerWaalsContact O-N 3.12Å; L416-K419 PolarHBondContact O-N 2.89Å; L416-N420 WeakPolarHBondContact O-CB 3.32Å; L416-N420 PolarHBondContact O-N 3.33Å; L416-N420 PolarHBondContact O-OD1 3.19Å |
| 417 | A | 50.3 | Low | 55.9 | Low | 29 Ų | 29 | 81.3 Ų | 81.3 | 24% | 0.24 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q413 N420 L421 | Q413-A417 WeakPolarHBondContact O-CB 3.35Å; Q413-A417 PolarHBondContact O-N 2.89Å; A417-N420 PolarHBondContact O-N 3.19Å; A417-L421 WeakPolarHBondContact O-CB 3.34Å; A417-L421 PolarHBondContact O-N 2.81Å |
| 418 | Q | 53.7 | Low | 56 | Low | 81 Ų | 81 | 80.7 Ų | 80.7 | 38% | 0.379 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -58.7 | -50.6 | 173.1 | 178.6 | 178.6 | -13 | 0 | 0 | 111.4 | L414 N420 L421 E422 | L414-Q418 WeakPolarHBondContact O-CB 3.47Å; L414-Q418 PolarHBondContact O-N 3.45Å; Q418-N420 VanDerWaalsContact C-N 3.34Å; Q418-N420 PolarHBondContact O-N 3.03Å; Q418-L421 PolarHBondContact O-N 3.4Å; Q418-E422 HydrophobicContact CG-CG 4.41Å; Q418-E422 VanDerWaalsContact CG-OE1 3.29Å; Q418-E422 WeakPolarHBondContact CG-OE1 3.39Å; Q418-E422 PolarHBondContact NE2-OE1 2.98Å; Q418-E422 WeakPolarHBondContact O-CG 3.28Å; Q418-E422 PolarHBondContact O-N 3.02Å |
| 419 | K | 65.1 | Low | 56.1 | Low | 129 Ų | 129 | 84.2 Ų | 84.2 | 56% | 0.561 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -62.7 | -40.3 | -179.4 | -174 | -177.7 | 175 | -171.1 | 0 | 112.1 | K415 L416 L421 E422 Q423 | K415-K419 WeakPolarHBondContact O-CB 3.36Å; K415-K419 PolarHBondContact O-N 3.09Å; L416-K419 PolarHBondContact O-N 2.89Å; K419-L421 VanDerWaalsContact C-N 3.34Å; K419-E422 PolarHBondContact O-N 2.8Å; K419-Q423 WeakPolarHBondContact O-CB 3.5Å; K419-Q423 PolarHBondContact O-N 3.25Å |
| 420 | N | 57.6 | Low | 56.5 | Low | 82 Ų | 82 | 82.3 Ų | 82.3 | 44% | 0.439 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 176.6 | -69.4 | -2.8 | 0 | 0 | 0 | 111 | L416 A417 Q418 Q423 S424 | L416-N420 WeakPolarHBondContact O-CB 3.32Å; L416-N420 PolarHBondContact O-N 3.33Å; L416-N420 PolarHBondContact O-OD1 3.19Å; A417-N420 PolarHBondContact O-N 3.19Å; Q418-N420 VanDerWaalsContact C-N 3.34Å; Q418-N420 PolarHBondContact O-N 3.03Å; N420-Q423 PolarHBondContact O-N 2.73Å; N420-S424 PolarHBondContact O-N 3.4Å; N420-S424 PolarHBondContact O-OG 2.93Å |
| 421 | L | 54.5 | Low | 56.9 | Low | 71 Ų | 71 | 83.5 Ų | 83.5 | 37% | 0.372 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 175.4 | -176.4 | 68.8 | 0 | 0 | 0 | 112 | I362 A417 Q418 K419 Q423 S424 L425 | I362-L421 HydrophobicContact CD1-CD1 4.31Å; I362-L421 HydrophobicContact CG1-CD1 3.59Å; A417-L421 WeakPolarHBondContact O-CB 3.34Å; A417-L421 PolarHBondContact O-N 2.81Å; Q418-L421 PolarHBondContact O-N 3.4Å; K419-L421 VanDerWaalsContact C-N 3.34Å; L421-Q423 VanDerWaalsContact C-N 3.33Å; L421-Q423 PolarHBondContact O-N 3.32Å; L421-S424 PolarHBondContact O-N 3.31Å; L421-L425 VanDerWaalsContact O-CB 3.23Å; L421-L425 WeakPolarHBondContact O-CB 3.43Å; L421-L425 PolarHBondContact O-N 3.19Å |
| 422 | E | 56.9 | Low | 57.1 | Low | 97 Ų | 97 | 81.6 Ų | 81.6 | 45% | 0.453 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 175.6 | -73.7 | 168.1 | 178.6 | 0 | 0 | 111.7 | Q418 K419 S426 | Q418-E422 HydrophobicContact CG-CG 4.41Å; Q418-E422 VanDerWaalsContact CG-OE1 3.29Å; Q418-E422 WeakPolarHBondContact CG-OE1 3.39Å; Q418-E422 PolarHBondContact NE2-OE1 2.98Å; Q418-E422 WeakPolarHBondContact O-CG 3.28Å; Q418-E422 PolarHBondContact O-N 3.02Å; K419-E422 PolarHBondContact O-N 2.8Å; E422-S426 VanDerWaalsContact O-CB 3.3Å; E422-S426 WeakPolarHBondContact O-CB 3.35Å; E422-S426 PolarHBondContact O-N 3.46Å; E422-S426 PolarHBondContact O-OG 3.5Å |
| 423 | Q | 63.2 | Low | 57.3 | Low | 94 Ų | 94 | 80 Ų | 80 | 44% | 0.439 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -67 | -51.3 | 176.5 | -179.5 | 170.5 | -19.3 | 0 | 0 | 111.8 | K419 N420 L421 L425 S426 E427 | K419-Q423 WeakPolarHBondContact O-CB 3.5Å; K419-Q423 PolarHBondContact O-N 3.25Å; N420-Q423 PolarHBondContact O-N 2.73Å; L421-Q423 VanDerWaalsContact C-N 3.33Å; L421-Q423 PolarHBondContact O-N 3.32Å; Q423-L425 VanDerWaalsContact C-N 3.3Å; Q423-L425 PolarHBondContact O-N 3.03Å; Q423-S426 WeakPolarHBondContact O-CA 3.38Å; Q423-S426 WeakPolarHBondContact O-CB 3.31Å; Q423-S426 PolarHBondContact O-N 3.16Å; Q423-E427 HydrophobicContact CG-CG 4.38Å; Q423-E427 VanDerWaalsContact CG-OE1 3.24Å; Q423-E427 WeakPolarHBondContact CG-OE1 3.31Å; Q423-E427 PolarHBondContact NE2-OE1 3.31Å; Q423-E427 WeakPolarHBondContact O-CG 3.45Å; Q423-E427 PolarHBondContact O-N 3.03Å |
| 424 | S | 54.4 | Low | 57.9 | Low | 62 Ų | 62 | 80 Ų | 80 | 43% | 0.434 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.6 | -32.8 | 178.8 | -62.6 | 0 | 0 | 0 | 0 | 112.9 | N420 L421 A428 | N420-S424 PolarHBondContact O-N 3.4Å; N420-S424 PolarHBondContact O-OG 2.93Å; L421-S424 PolarHBondContact O-N 3.31Å; S424-A428 VanDerWaalsContact O-CB 3.24Å; S424-A428 WeakPolarHBondContact O-CB 3.34Å; S424-A428 PolarHBondContact O-N 2.84Å |
| 425 | L | 54.3 | Low | 58.1 | Low | 66 Ų | 66 | 79.4 Ų | 79.4 | 35% | 0.346 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.3 | -42.1 | 170.9 | -168.3 | 79.3 | 0 | 0 | 0 | 111.1 | L421 Q423 A428 L429 | L421-L425 VanDerWaalsContact O-CB 3.23Å; L421-L425 WeakPolarHBondContact O-CB 3.43Å; L421-L425 PolarHBondContact O-N 3.19Å; Q423-L425 VanDerWaalsContact C-N 3.3Å; Q423-L425 PolarHBondContact O-N 3.03Å; L425-A428 PolarHBondContact O-N 3.48Å; L425-L429 HydrophobicContact CD2-CD1 4.45Å; L425-L429 HydrophobicContact CG-CD1 4.13Å; L425-L429 WeakPolarHBondContact O-CB 3.48Å; L425-L429 VanDerWaalsContact O-CG 3.26Å; L425-L429 WeakPolarHBondContact O-CG 3.4Å; L425-L429 PolarHBondContact O-N 2.81Å |
| 426 | S | 62.8 | Low | 58.2 | Low | 65 Ų | 65 | 75.9 Ų | 75.9 | 46% | 0.455 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.4 | -46.1 | 177.9 | -60.2 | 0 | 0 | 0 | 0 | 111.8 | E422 Q423 L429 L430 | E422-S426 VanDerWaalsContact O-CB 3.3Å; E422-S426 WeakPolarHBondContact O-CB 3.35Å; E422-S426 PolarHBondContact O-N 3.46Å; E422-S426 PolarHBondContact O-OG 3.5Å; Q423-S426 WeakPolarHBondContact O-CA 3.38Å; Q423-S426 WeakPolarHBondContact O-CB 3.31Å; Q423-S426 PolarHBondContact O-N 3.16Å; S426-L429 PolarHBondContact O-N 2.66Å; S426-L430 WeakPolarHBondContact O-CB 3.38Å; S426-L430 PolarHBondContact O-N 3.1Å |
| 427 | E | 60.5 | Low | 58.4 | Low | 104 Ų | 104 | 73.4 Ų | 73.4 | 49% | 0.486 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 176.1 | -71.2 | 168.6 | -176.7 | 0 | 0 | 111.9 | Q423 L430 S431 | Q423-E427 HydrophobicContact CG-CG 4.38Å; Q423-E427 VanDerWaalsContact CG-OE1 3.24Å; Q423-E427 WeakPolarHBondContact CG-OE1 3.31Å; Q423-E427 PolarHBondContact NE2-OE1 3.31Å; Q423-E427 WeakPolarHBondContact O-CG 3.45Å; Q423-E427 PolarHBondContact O-N 3.03Å; E427-L430 PolarHBondContact O-N 3.38Å; E427-S431 VanDerWaalsContact O-CB 3.31Å; E427-S431 WeakPolarHBondContact O-CB 3.49Å; E427-S431 PolarHBondContact O-N 2.88Å |
| 428 | A | 52.4 | Low | 58.7 | Low | 32 Ų | 32 | 75.6 Ų | 75.6 | 26% | 0.264 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L358 S424 L425 L432 | L358-A428 HydrophobicContact CD1-CB 3.92Å; S424-A428 VanDerWaalsContact O-CB 3.24Å; S424-A428 WeakPolarHBondContact O-CB 3.34Å; S424-A428 PolarHBondContact O-N 2.84Å; L425-A428 PolarHBondContact O-N 3.48Å; A428-L432 VanDerWaalsContact O-CB 3.24Å; A428-L432 WeakPolarHBondContact O-CB 3.27Å; A428-L432 PolarHBondContact O-N 3.11Å |
| 429 | L | 56 | Low | 58.9 | Low | 102 Ų | 102 | 76.3 Ų | 76.3 | 53% | 0.534 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.9 | -36.4 | 175.6 | -74 | 169.4 | 0 | 0 | 0 | 112.3 | L425 S426 L432 S433 | L425-L429 HydrophobicContact CD2-CD1 4.45Å; L425-L429 HydrophobicContact CG-CD1 4.13Å; L425-L429 WeakPolarHBondContact O-CB 3.48Å; L425-L429 VanDerWaalsContact O-CG 3.26Å; L425-L429 WeakPolarHBondContact O-CG 3.4Å; L425-L429 PolarHBondContact O-N 2.81Å; S426-L429 PolarHBondContact O-N 2.66Å; L429-L432 PolarHBondContact O-N 3.45Å; L429-S433 WeakPolarHBondContact O-CB 3.29Å; L429-S433 PolarHBondContact O-N 2.83Å; L429-S433 PolarHBondContact O-OG 3.38Å |
| 430 | L | 64.4 | Low | 58.8 | Low | 101 Ų | 101 | 75.8 Ų | 75.8 | 53% | 0.529 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.9 | -53.4 | 174.3 | -123.9 | 141.9 | 0 | 0 | 0 | 110 | S426 E427 L432 S433 E434 | S426-L430 WeakPolarHBondContact O-CB 3.38Å; S426-L430 PolarHBondContact O-N 3.1Å; E427-L430 PolarHBondContact O-N 3.38Å; L430-L432 VanDerWaalsContact C-N 3.26Å; L430-L432 PolarHBondContact O-N 2.93Å; L430-S433 PolarHBondContact O-N 2.82Å; L430-S433 PolarHBondContact O-OG 2.75Å; L430-E434 WeakPolarHBondContact O-CG 3.29Å; L430-E434 PolarHBondContact O-N 2.8Å |
| 431 | S | 59.3 | Low | 59.2 | Low | 37 Ų | 37 | 78.3 Ų | 78.3 | 26% | 0.259 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59 | -34.8 | 176.7 | -176.2 | 0 | 0 | 0 | 0 | 112.8 | K354 E427 A435 | K354-S431 PolarHBondContact NZ-OG 2.74Å; E427-S431 VanDerWaalsContact O-CB 3.31Å; E427-S431 WeakPolarHBondContact O-CB 3.49Å; E427-S431 PolarHBondContact O-N 2.88Å; S431-A435 WeakPolarHBondContact O-CB 3.49Å; S431-A435 PolarHBondContact O-N 3.47Å |
| 432 | L | 56.6 | Low | 59.5 | Low | 39 Ų | 39 | 78.1 Ų | 78.1 | 20% | 0.204 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -70 | -39.5 | 172.9 | -175.7 | 66.3 | 0 | 0 | 0 | 112.2 | L351 A428 L429 L430 T436 | L351-L432 HydrophobicContact CD2-CD1 3.75Å; A428-L432 VanDerWaalsContact O-CB 3.24Å; A428-L432 WeakPolarHBondContact O-CB 3.27Å; A428-L432 PolarHBondContact O-N 3.11Å; L429-L432 PolarHBondContact O-N 3.45Å; L430-L432 VanDerWaalsContact C-N 3.26Å; L430-L432 PolarHBondContact O-N 2.93Å; L432-T436 WeakPolarHBondContact O-CB 3.42Å; L432-T436 PolarHBondContact O-N 3.38Å; L432-T436 PolarHBondContact O-OG1 3.41Å |
| 433 | S | 61.4 | Low | 59.7 | Low | 66 Ų | 66 | 77 Ų | 77 | 46% | 0.462 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -71.1 | -36.9 | 178.4 | 74.1 | 0 | 0 | 0 | 0 | 112.1 | L429 L430 T436 S437 | L429-S433 WeakPolarHBondContact O-CB 3.29Å; L429-S433 PolarHBondContact O-N 2.83Å; L429-S433 PolarHBondContact O-OG 3.38Å; L430-S433 PolarHBondContact O-N 2.82Å; L430-S433 PolarHBondContact O-OG 2.75Å; S433-T436 PolarHBondContact O-N 3.05Å; S433-S437 WeakPolarHBondContact O-CB 3.35Å; S433-S437 PolarHBondContact O-N 3.09Å |
| 434 | E | 63.9 | Low | 59.6 | Low | 119 Ų | 119 | 76.6 Ų | 76.6 | 56% | 0.556 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -62.4 | -48.4 | 170.8 | -71.3 | 172.8 | 162.6 | 0 | 0 | 111.5 | L430 T436 S437 C438 | L430-E434 WeakPolarHBondContact O-CG 3.29Å; L430-E434 PolarHBondContact O-N 2.8Å; E434-T436 VanDerWaalsContact C-N 3.34Å; E434-T436 PolarHBondContact O-N 3.43Å; E434-S437 PolarHBondContact O-N 2.93Å; E434-C438 WeakPolarHBondContact O-CB 3.49Å; E434-C438 PolarHBondContact O-N 3.43Å |
| 435 | A | 54.4 | Low | 60.1 | Low | 50 Ų | 50 | 82.3 Ų | 82.3 | 41% | 0.413 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.4 | -41.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S431 H439 | S431-A435 WeakPolarHBondContact O-CB 3.49Å; S431-A435 PolarHBondContact O-N 3.47Å; A435-H439 WeakPolarHBondContact O-CB 3.47Å; A435-H439 PolarHBondContact O-N 2.83Å |
| 436 | T | 59.8 | Low | 60.5 | Low | 61 Ų | 61 | 82.9 Ų | 82.9 | 37% | 0.374 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -68.2 | -41.2 | 177.8 | -53.8 | 0 | 0 | 0 | 0 | 111.6 | L432 S433 E434 H439 Q440 | L432-T436 WeakPolarHBondContact O-CB 3.42Å; L432-T436 PolarHBondContact O-N 3.38Å; L432-T436 PolarHBondContact O-OG1 3.41Å; S433-T436 PolarHBondContact O-N 3.05Å; E434-T436 VanDerWaalsContact C-N 3.34Å; E434-T436 PolarHBondContact O-N 3.43Å; T436-H439 PolarHBondContact O-N 2.91Å; T436-Q440 WeakPolarHBondContact O-CB 3.31Å; T436-Q440 VanDerWaalsContact O-CG 3.32Å; T436-Q440 WeakPolarHBondContact O-CG 3.49Å; T436-Q440 PolarHBondContact O-N 2.92Å |
| 437 | S | 64.2 | Low | 60.5 | Low | 54 Ų | 54 | 82.6 Ų | 82.6 | 38% | 0.378 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.3 | -41.3 | 176.7 | -175.4 | 0 | 0 | 0 | 0 | 111.5 | S433 E434 Q440 Q441 | S433-S437 WeakPolarHBondContact O-CB 3.35Å; S433-S437 PolarHBondContact O-N 3.09Å; E434-S437 PolarHBondContact O-N 2.93Å; S437-Q440 PolarHBondContact O-N 3Å; S437-Q441 WeakPolarHBondContact O-CB 3.35Å; S437-Q441 WeakPolarHBondContact O-CG 3.25Å; S437-Q441 PolarHBondContact O-N 2.84Å |
| 438 | C | 57.4 | Low | 60.9 | Low | 76 Ų | 76 | 81.9 Ų | 81.9 | 51% | 0.514 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.6 | -47.3 | 173.6 | -175.4 | 0 | 0 | 0 | 0 | 111.3 | E434 Q441 C442 | E434-C438 WeakPolarHBondContact O-CB 3.49Å; E434-C438 PolarHBondContact O-N 3.43Å; C438-Q441 PolarHBondContact O-N 3.33Å; C438-C442 WeakPolarHBondContact O-CB 3.47Å; C438-C442 PolarHBondContact O-N 3.44Å; C438-C442 PolarHBondContact O-SG 3.19Å |
| 439 | H | 58.8 | Low | 61.6 | Low | 95 Ų | 95 | 85.2 Ų | 85.2 | 44% | 0.44 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.9 | -49.3 | 174.2 | -178.7 | 98.2 | 0 | 0 | 0 | 111 | E344 A435 T436 Q441 C442 T443 | E344-H439 IonicContact OE1-CE1 2.61Å; A435-H439 WeakPolarHBondContact O-CB 3.47Å; A435-H439 PolarHBondContact O-N 2.83Å; T436-H439 PolarHBondContact O-N 2.91Å; H439-Q441 PolarHBondContact O-N 3.48Å; H439-C442 CarbonylContact O-C 3.57Å; H439-C442 WeakPolarHBondContact O-CA 3.4Å; H439-C442 WeakPolarHBondContact O-CB 3.35Å; H439-C442 PolarHBondContact O-N 3.08Å; H439-T443 PolarHBondContact CD2-OG1 3.07Å; H439-T443 PolarHBondContact NE2-OG1 3.25Å; H439-T443 PolarHBondContact O-N 3.41Å; H439-T443 PolarHBondContact O-OG1 3.4Å |
| 440 | Q | 61.9 | Low | 62.3 | Low | 118 Ų | 118 | 86.8 Ų | 86.8 | 55% | 0.551 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -59.9 | -41.1 | 177.3 | -76.1 | 177.9 | -3.6 | 0 | 0 | 112.9 | T436 S437 C442 T443 V444 | T436-Q440 WeakPolarHBondContact O-CB 3.31Å; T436-Q440 VanDerWaalsContact O-CG 3.32Å; T436-Q440 WeakPolarHBondContact O-CG 3.49Å; T436-Q440 PolarHBondContact O-N 2.92Å; S437-Q440 PolarHBondContact O-N 3Å; Q440-C442 VanDerWaalsContact C-N 3.33Å; Q440-T443 PolarHBondContact O-N 3.2Å; Q440-V444 WeakPolarHBondContact O-CB 3.38Å; Q440-V444 VanDerWaalsContact O-CG2 3.3Å; Q440-V444 WeakPolarHBondContact O-CG2 3.5Å; Q440-V444 PolarHBondContact O-N 3.22Å |
| 441 | Q | 65.5 | Low | 62.6 | Low | 135 Ų | 135 | 88.5 Ų | 88.5 | 63% | 0.631 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.9 | -40.1 | 172.9 | -76.6 | -172.7 | 15.9 | 0 | 0 | 111.5 | S437 C438 H439 R445 | S437-Q441 WeakPolarHBondContact O-CB 3.35Å; S437-Q441 WeakPolarHBondContact O-CG 3.25Å; S437-Q441 PolarHBondContact O-N 2.84Å; C438-Q441 PolarHBondContact O-N 3.33Å; H439-Q441 PolarHBondContact O-N 3.48Å; Q441-R445 WeakPolarHBondContact O-CB 3.22Å; Q441-R445 PolarHBondContact O-N 2.78Å |
| 442 | C | 61.4 | Low | 63 | Low | 67 Ų | 67 | 91.1 Ų | 91.1 | 45% | 0.453 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.1 | -44.9 | 173.3 | -75.9 | 0 | 0 | 0 | 0 | 112.1 | C438 H439 Q440 V444 R445 C446 | C438-C442 WeakPolarHBondContact O-CB 3.47Å; C438-C442 PolarHBondContact O-N 3.44Å; C438-C442 PolarHBondContact O-SG 3.19Å; H439-C442 CarbonylContact O-C 3.57Å; H439-C442 WeakPolarHBondContact O-CA 3.4Å; H439-C442 WeakPolarHBondContact O-CB 3.35Å; H439-C442 PolarHBondContact O-N 3.08Å; Q440-C442 VanDerWaalsContact C-N 3.33Å; C442-V444 VanDerWaalsContact C-N 3.34Å; C442-V444 PolarHBondContact O-N 2.68Å; C442-R445 CarbonylContact O-C 3.34Å; C442-R445 PolarHBondContact O-N 3.24Å; C442-R445 VanDerWaalsContact O-N 3.15Å; C442-C446 WeakPolarHBondContact O-CB 3.5Å; C442-C446 PolarHBondContact O-N 2.84Å; C442-C446 PolarHBondContact O-SG 3.34Å; C442-C446 VanDerWaalsContact O-SG 3.34Å |
| 443 | T | 60.5 | Low | 63.7 | Low | 73 Ų | 73 | 96 Ų | 96 | 45% | 0.448 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.6 | -44.7 | 175.5 | -38.1 | 0 | 0 | 0 | 0 | 110.9 | H439 Q440 C446 A447 | H439-T443 PolarHBondContact CD2-OG1 3.07Å; H439-T443 PolarHBondContact NE2-OG1 3.25Å; H439-T443 PolarHBondContact O-N 3.41Å; H439-T443 PolarHBondContact O-OG1 3.4Å; Q440-T443 PolarHBondContact O-N 3.2Å; T443-C446 PolarHBondContact O-N 3.19Å; T443-A447 WeakPolarHBondContact O-CB 3.5Å; T443-A447 PolarHBondContact O-N 3.31Å |
| 444 | V | 62.2 | Low | 64.1 | Low | 87 Ų | 87 | 95.6 Ų | 95.6 | 53% | 0.527 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.8 | -38.1 | 175.7 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | Q440 C442 A447 L448 | Q440-V444 WeakPolarHBondContact O-CB 3.38Å; Q440-V444 VanDerWaalsContact O-CG2 3.3Å; Q440-V444 WeakPolarHBondContact O-CG2 3.5Å; Q440-V444 PolarHBondContact O-N 3.22Å; C442-V444 VanDerWaalsContact C-N 3.34Å; C442-V444 PolarHBondContact O-N 2.68Å; V444-A447 PolarHBondContact O-N 3.39Å; V444-L448 HydrophobicContact CG1-CD1 3.91Å; V444-L448 HydrophobicContact CG1-CG 4.4Å; V444-L448 VanDerWaalsContact O-CB 3.29Å; V444-L448 WeakPolarHBondContact O-CB 3.28Å; V444-L448 VanDerWaalsContact O-CG 3.26Å; V444-L448 WeakPolarHBondContact O-CG 3.48Å; V444-L448 PolarHBondContact O-N 3.11Å |
| 445 | R | 64.7 | Low | 64.4 | Low | 182 Ų | 182 | 95.2 Ų | 95.2 | 69% | 0.687 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.6 | -41 | 173.7 | -117.9 | 176.2 | 168.9 | 172.1 | -4.3 | 112.4 | Q441 C442 L448 I449 | Q441-R445 WeakPolarHBondContact O-CB 3.22Å; Q441-R445 PolarHBondContact O-N 2.78Å; C442-R445 CarbonylContact O-C 3.34Å; C442-R445 PolarHBondContact O-N 3.24Å; C442-R445 VanDerWaalsContact O-N 3.15Å; R445-L448 PolarHBondContact O-N 2.86Å; R445-I449 VanDerWaalsContact O-CB 3.26Å; R445-I449 WeakPolarHBondContact O-CB 3.37Å; R445-I449 WeakPolarHBondContact O-CD1 3.49Å; R445-I449 WeakPolarHBondContact O-CG1 3.44Å; R445-I449 PolarHBondContact O-N 3.35Å |
| 446 | C | 61.8 | Low | 65 | Low | 77 Ų | 77 | 98.2 Ų | 98.2 | 52% | 0.52 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.9 | -43.2 | 175.8 | -71.8 | 0 | 0 | 0 | 0 | 110.9 | C442 T443 I449 E450 | C442-C446 WeakPolarHBondContact O-CB 3.5Å; C442-C446 PolarHBondContact O-N 2.84Å; C442-C446 PolarHBondContact O-SG 3.34Å; C442-C446 VanDerWaalsContact O-SG 3.34Å; T443-C446 PolarHBondContact O-N 3.19Å; C446-I449 PolarHBondContact O-N 3.3Å; C446-E450 WeakPolarHBondContact O-CB 3.36Å; C446-E450 WeakPolarHBondContact O-CG 3.48Å; C446-E450 PolarHBondContact O-N 2.96Å |
| 447 | A | 64.1 | Low | 65.5 | Low | 60 Ų | 60 | 102.8 Ų | 102.8 | 50% | 0.496 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | T443 V444 E450 E451 | T443-A447 WeakPolarHBondContact O-CB 3.5Å; T443-A447 PolarHBondContact O-N 3.31Å; V444-A447 PolarHBondContact O-N 3.39Å; A447-E450 PolarHBondContact O-N 2.74Å; A447-E451 VanDerWaalsContact O-CB 3.28Å; A447-E451 WeakPolarHBondContact O-CB 3.38Å; A447-E451 PolarHBondContact O-N 2.72Å |
| 448 | L | 67.6 | Low | 65.5 | Low | 89 Ų | 89 | 107 Ų | 107 | 47% | 0.466 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66 | -34.1 | 173.9 | -76 | 169.9 | 0 | 0 | 0 | 112.5 | V444 R445 D452 | V444-L448 HydrophobicContact CG1-CD1 3.91Å; V444-L448 HydrophobicContact CG1-CG 4.4Å; V444-L448 VanDerWaalsContact O-CB 3.29Å; V444-L448 WeakPolarHBondContact O-CB 3.28Å; V444-L448 VanDerWaalsContact O-CG 3.26Å; V444-L448 WeakPolarHBondContact O-CG 3.48Å; V444-L448 PolarHBondContact O-N 3.11Å; R445-L448 PolarHBondContact O-N 2.86Å; L448-D452 WeakPolarHBondContact O-CA 3.1Å; L448-D452 WeakPolarHBondContact O-CB 3.46Å; L448-D452 PolarHBondContact O-N 3.49Å |
| 449 | I | 68.2 | Low | 65.8 | Low | 102 Ų | 102 | 105.5 Ų | 105.5 | 52% | 0.523 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -74.4 | -34.8 | 175.7 | -73.4 | 164 | 0 | 0 | 0 | 111 | R445 C446 K453 | R445-I449 VanDerWaalsContact O-CB 3.26Å; R445-I449 WeakPolarHBondContact O-CB 3.37Å; R445-I449 WeakPolarHBondContact O-CD1 3.49Å; R445-I449 WeakPolarHBondContact O-CG1 3.44Å; R445-I449 PolarHBondContact O-N 3.35Å; C446-I449 PolarHBondContact O-N 3.3Å; I449-K453 WeakPolarHBondContact O-CB 3.49Å; I449-K453 PolarHBondContact O-N 3.42Å |
| 450 | E | 70.4 | Confident | 65.6 | Low | 134 Ų | 134 | 106.4 Ų | 106.4 | 63% | 0.626 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -70.6 | -39.3 | 171.6 | -72.3 | -120.1 | 118.2 | 0 | 0 | 111.4 | C446 A447 K453 A454 | C446-E450 WeakPolarHBondContact O-CB 3.36Å; C446-E450 WeakPolarHBondContact O-CG 3.48Å; C446-E450 PolarHBondContact O-N 2.96Å; A447-E450 PolarHBondContact O-N 2.74Å; E450-K453 PolarHBondContact O-N 3.21Å; E450-A454 WeakPolarHBondContact O-CB 3.43Å; E450-A454 PolarHBondContact O-N 3.15Å |
| 451 | E | 69.8 | Low | 65.2 | Low | 137 Ų | 137 | 104.9 Ų | 104.9 | 64% | 0.64 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -69 | -41.4 | 174 | -170.5 | 164.8 | -138.6 | 0 | 0 | 111.1 | A447 K453 A454 F455 | A447-E451 VanDerWaalsContact O-CB 3.28Å; A447-E451 WeakPolarHBondContact O-CB 3.38Å; A447-E451 PolarHBondContact O-N 2.72Å; E451-K453 VanDerWaalsContact C-N 3.33Å; E451-K453 PolarHBondContact O-N 3.45Å; E451-A454 PolarHBondContact O-N 3.22Å; E451-F455 WeakPolarHBondContact O-CA 3.4Å; E451-F455 WeakPolarHBondContact O-CB 3.48Å; E451-F455 PolarHBondContact O-N 2.88Å |
| 452 | D | 68.7 | Low | 64.6 | Low | 93 Ų | 93 | 102.8 Ų | 102.8 | 50% | 0.497 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.2 | -31.7 | 170.8 | -90.7 | -22.7 | 0 | 0 | 0 | 111.9 | L448 L456 | L448-D452 WeakPolarHBondContact O-CA 3.1Å; L448-D452 WeakPolarHBondContact O-CB 3.46Å; L448-D452 PolarHBondContact O-N 3.49Å; D452-L456 WeakPolarHBondContact O-CA 3.42Å; D452-L456 WeakPolarHBondContact O-CB 3.27Å; D452-L456 WeakPolarHBondContact O-CG 3.31Å; D452-L456 PolarHBondContact O-N 3.43Å |
| 453 | K | 70.8 | Confident | 64 | Low | 140 Ų | 140 | 103.3 Ų | 103.3 | 61% | 0.609 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -79.4 | -33.7 | 176.9 | -175.5 | 179.3 | -176.7 | -175.6 | 0 | 111.4 | I449 E450 E451 K457 | I449-K453 WeakPolarHBondContact O-CB 3.49Å; I449-K453 PolarHBondContact O-N 3.42Å; E450-K453 PolarHBondContact O-N 3.21Å; E451-K453 VanDerWaalsContact C-N 3.33Å; E451-K453 PolarHBondContact O-N 3.45Å; K453-K457 WeakPolarHBondContact O-CB 3.39Å; K453-K457 PolarHBondContact O-N 2.92Å |
| 454 | A | 69.5 | Low | 63.2 | Low | 58 Ų | 58 | 108.5 Ų | 108.5 | 48% | 0.479 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.9 | -40.7 | 169 | 0 | 0 | 0 | 0 | 0 | 110.8 | E450 E451 K457 K458 | E450-A454 WeakPolarHBondContact O-CB 3.43Å; E450-A454 PolarHBondContact O-N 3.15Å; E451-A454 PolarHBondContact O-N 3.22Å; A454-K457 PolarHBondContact O-N 2.84Å; A454-K458 WeakPolarHBondContact O-CB 3.43Å; A454-K458 PolarHBondContact O-N 3.3Å |
| 455 | F | 71.5 | Confident | 62.5 | Low | 112 Ų | 112 | 108 Ų | 108 | 49% | 0.491 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66 | -50.3 | 173.6 | -176.9 | -102.3 | 0 | 0 | 0 | 110.3 | E451 K457 K458 E459 | E451-F455 WeakPolarHBondContact O-CA 3.4Å; E451-F455 WeakPolarHBondContact O-CB 3.48Å; E451-F455 PolarHBondContact O-N 2.88Å; F455-K457 VanDerWaalsContact C-N 3.3Å; F455-K457 PolarHBondContact O-N 2.72Å; F455-K458 CarbonylContact O-C 3.5Å; F455-K458 PolarHBondContact O-N 3.41Å; F455-K458 VanDerWaalsContact O-N 3.12Å; F455-E459 HydrophobicContact CD1-CG 3.93Å; F455-E459 HydrophobicContact CD2-CG 4.15Å; F455-E459 HydrophobicContact CE1-CG 3.57Å; F455-E459 HydrophobicContact CE2-CG 3.8Å; F455-E459 WeakPolarHBondContact CE2-OE1 3.27Å; F455-E459 HydrophobicContact CG-CG 4.2Å; F455-E459 HydrophobicContact CZ-CG 3.49Å; F455-E459 VanDerWaalsContact CZ-CG 3.49Å; F455-E459 WeakPolarHBondContact O-CA 3.36Å; F455-E459 VanDerWaalsContact O-CB 3.26Å; F455-E459 WeakPolarHBondContact O-CB 3.21Å; F455-E459 WeakPolarHBondContact O-CG 3.27Å; F455-E459 PolarHBondContact O-N 3.41Å |
| 456 | L | 65.3 | Low | 61.3 | Low | 112 Ų | 112 | 102.5 Ų | 102.5 | 59% | 0.586 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.9 | -34 | 172.8 | -88.7 | 157 | 0 | 0 | 0 | 112.3 | D452 L460 | D452-L456 WeakPolarHBondContact O-CA 3.42Å; D452-L456 WeakPolarHBondContact O-CB 3.27Å; D452-L456 WeakPolarHBondContact O-CG 3.31Å; D452-L456 PolarHBondContact O-N 3.43Å; L456-L460 WeakPolarHBondContact O-CA 3.09Å; L456-L460 VanDerWaalsContact O-CB 3.24Å; L456-L460 WeakPolarHBondContact O-CB 3.36Å; L456-L460 PolarHBondContact O-N 2.88Å |
| 457 | K | 70.2 | Confident | 60.1 | Low | 158 Ų | 158 | 107.5 Ų | 107.5 | 69% | 0.687 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -73 | -37.8 | 173.8 | -169 | 173.8 | -174.6 | 179.1 | 0 | 111.6 | K453 A454 F455 L460 T461 | K453-K457 WeakPolarHBondContact O-CB 3.39Å; K453-K457 PolarHBondContact O-N 2.92Å; A454-K457 PolarHBondContact O-N 2.84Å; F455-K457 VanDerWaalsContact C-N 3.3Å; F455-K457 PolarHBondContact O-N 2.72Å; K457-L460 PolarHBondContact O-N 2.84Å; K457-T461 WeakPolarHBondContact O-CB 3.31Å; K457-T461 PolarHBondContact O-N 3.24Å; K457-T461 PolarHBondContact O-OG1 2.83Å |
| 458 | K | 65.9 | Low | 58.9 | Low | 141 Ų | 141 | 112.8 Ų | 112.8 | 61% | 0.613 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -73 | -29 | 175.8 | -166 | 172.4 | -170.7 | 174.4 | 0 | 111.9 | A454 F455 K462 | A454-K458 WeakPolarHBondContact O-CB 3.43Å; A454-K458 PolarHBondContact O-N 3.3Å; F455-K458 CarbonylContact O-C 3.5Å; F455-K458 PolarHBondContact O-N 3.41Å; F455-K458 VanDerWaalsContact O-N 3.12Å; K458-K462 WeakPolarHBondContact O-CB 3.49Å; K458-K462 WeakPolarHBondContact O-CG 3.36Å; K458-K462 PolarHBondContact O-N 2.89Å |
| 459 | E | 62.7 | Low | 57.6 | Low | 46 Ų | 46 | 117.5 Ų | 117.5 | 22% | 0.215 | 56% | 0.561 | C | S | . | * | H | α-helix | trans | -85.7 | -28.1 | 171.9 | -69.1 | -53.1 | 149.6 | 0 | 0 | 112.1 | F455 T461 K462 V463 | F455-E459 HydrophobicContact CD1-CG 3.93Å; F455-E459 HydrophobicContact CD2-CG 4.15Å; F455-E459 HydrophobicContact CE1-CG 3.57Å; F455-E459 HydrophobicContact CE2-CG 3.8Å; F455-E459 WeakPolarHBondContact CE2-OE1 3.27Å; F455-E459 HydrophobicContact CG-CG 4.2Å; F455-E459 HydrophobicContact CZ-CG 3.49Å; F455-E459 VanDerWaalsContact CZ-CG 3.49Å; F455-E459 WeakPolarHBondContact O-CA 3.36Å; F455-E459 VanDerWaalsContact O-CB 3.26Å; F455-E459 WeakPolarHBondContact O-CB 3.21Å; F455-E459 WeakPolarHBondContact O-CG 3.27Å; F455-E459 PolarHBondContact O-N 3.41Å; E459-T461 VanDerWaalsContact C-N 3.33Å; E459-K462 WeakPolarHBondContact OE1-CD 3.34Å; E459-K462 WeakPolarHBondContact OE1-CE 3.48Å; E459-K462 IonicContact OE1-NZ 2.68Å; E459-K462 PolarHBondContact OE1-NZ 3.49Å; E459-K462 WeakPolarHBondContact OE2-CD 3.48Å; E459-K462 IonicContact OE2-NZ 3.87Å; E459-V463 WeakPolarHBondContact O-CA 3.4Å; E459-V463 WeakPolarHBondContact O-CB 3.27Å; E459-V463 WeakPolarHBondContact O-CG2 3.48Å; E459-V463 PolarHBondContact O-N 3.08Å |
| 460 | L | 54.1 | Low | 55.9 | Low | 113 Ų | 113 | 117.5 Ų | 117.5 | 59% | 0.592 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68.7 | -39.4 | 166.7 | -137.9 | 76.3 | 0 | 0 | 0 | 109.6 | L456 K457 V463 Y464 | L456-L460 WeakPolarHBondContact O-CA 3.09Å; L456-L460 VanDerWaalsContact O-CB 3.24Å; L456-L460 WeakPolarHBondContact O-CB 3.36Å; L456-L460 PolarHBondContact O-N 2.88Å; K457-L460 PolarHBondContact O-N 2.84Å; L460-V463 PolarHBondContact O-N 2.94Å; L460-Y464 WeakPolarHBondContact O-CB 3.21Å; L460-Y464 PolarHBondContact O-N 2.82Å |
| 461 | T | 54.4 | Low | 54.3 | Low | 86 Ų | 86 | 121.2 Ų | 121.2 | 53% | 0.528 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.5 | -48.2 | 174.1 | -53.1 | 0 | 0 | 0 | 0 | 110.8 | K457 E459 V463 Y464 V465 | K457-T461 WeakPolarHBondContact O-CB 3.31Å; K457-T461 PolarHBondContact O-N 3.24Å; K457-T461 PolarHBondContact O-OG1 2.83Å; E459-T461 VanDerWaalsContact C-N 3.33Å; T461-V463 VanDerWaalsContact C-N 3.34Å; T461-V463 PolarHBondContact O-N 2.79Å; T461-Y464 PolarHBondContact O-N 2.87Å; T461-V465 WeakPolarHBondContact O-CG2 3.47Å; T461-V465 PolarHBondContact O-N 2.85Å |
| 462 | K | 53.1 | Low | 52.5 | Low | 91 Ų | 91 | 122 Ų | 122 | 40% | 0.396 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.9 | -35.5 | 173.7 | -80.4 | 167.8 | 168.5 | -170.9 | 0 | 111.9 | K458 E459 V465 L466 | K458-K462 WeakPolarHBondContact O-CB 3.49Å; K458-K462 WeakPolarHBondContact O-CG 3.36Å; K458-K462 PolarHBondContact O-N 2.89Å; E459-K462 WeakPolarHBondContact OE1-CD 3.34Å; E459-K462 WeakPolarHBondContact OE1-CE 3.48Å; E459-K462 IonicContact OE1-NZ 2.68Å; E459-K462 PolarHBondContact OE1-NZ 3.49Å; E459-K462 WeakPolarHBondContact OE2-CD 3.48Å; E459-K462 IonicContact OE2-NZ 3.87Å; K462-V465 CarbonylContact O-C 3.54Å; K462-V465 WeakPolarHBondContact O-CA 3.37Å; K462-V465 PolarHBondContact O-N 3.06Å; K462-V465 VanDerWaalsContact O-N 3.14Å; K462-L466 HydrophobicContact CB-CD1 4.09Å; K462-L466 WeakPolarHBondContact O-CA 3.31Å; K462-L466 VanDerWaalsContact O-CB 3.26Å; K462-L466 WeakPolarHBondContact O-CB 3.16Å; K462-L466 WeakPolarHBondContact O-CD1 3.44Å; K462-L466 PolarHBondContact O-N 2.79Å |
| 463 | V | 49.2 | Very low | 50.9 | Low | 78 Ų | 78 | 122.4 Ų | 122.4 | 47% | 0.473 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -71.7 | -38.6 | 176.2 | 167.2 | 0 | 0 | 0 | 0 | 110.1 | E459 L460 T461 V465 L466 F467 | E459-V463 WeakPolarHBondContact O-CA 3.4Å; E459-V463 WeakPolarHBondContact O-CB 3.27Å; E459-V463 WeakPolarHBondContact O-CG2 3.48Å; E459-V463 PolarHBondContact O-N 3.08Å; L460-V463 PolarHBondContact O-N 2.94Å; T461-V463 VanDerWaalsContact C-N 3.34Å; T461-V463 PolarHBondContact O-N 2.79Å; V463-V465 PolarHBondContact O-N 3.24Å; V463-L466 PolarHBondContact O-N 3.22Å; V463-F467 WeakPolarHBondContact O-CB 3.4Å; V463-F467 PolarHBondContact O-N 3.43Å |
| 464 | Y | 42 | Very low | 49.2 | Very low | 182 Ų | 182 | 122.5 Ų | 122.5 | 71% | 0.714 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -57.2 | -31.3 | 167 | -107.3 | -97.6 | 0 | 0 | 0 | 112.6 | L460 T461 | L460-Y464 WeakPolarHBondContact O-CB 3.21Å; L460-Y464 PolarHBondContact O-N 2.82Å; T461-Y464 PolarHBondContact O-N 2.87Å |
| 465 | V | 47.5 | Very low | 47.6 | Very low | 78 Ų | 78 | 125.9 Ų | 125.9 | 47% | 0.473 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -86.6 | -34.4 | 176.5 | 172.2 | 0 | 0 | 0 | 0 | 112.9 | T461 K462 V463 F468 Y469 | T461-V465 WeakPolarHBondContact O-CG2 3.47Å; T461-V465 PolarHBondContact O-N 2.85Å; K462-V465 CarbonylContact O-C 3.54Å; K462-V465 WeakPolarHBondContact O-CA 3.37Å; K462-V465 PolarHBondContact O-N 3.06Å; K462-V465 VanDerWaalsContact O-N 3.14Å; V463-V465 PolarHBondContact O-N 3.24Å; V465-F468 CarbonylContact O-C 3.57Å; V465-F468 WeakPolarHBondContact O-CA 3.25Å; V465-F468 WeakPolarHBondContact O-CB 3.33Å; V465-F468 PolarHBondContact O-N 2.87Å; V465-F468 VanDerWaalsContact O-N 3.12Å; V465-Y469 WeakPolarHBondContact O-CB 3.43Å; V465-Y469 PolarHBondContact O-N 2.99Å |
| 466 | L | 40.9 | Very low | 45.7 | Very low | 65 Ų | 65 | 129.4 Ų | 129.4 | 34% | 0.34 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -78.9 | -34.4 | -179.5 | -98 | 80.2 | 0 | 0 | 0 | 111.3 | K462 V463 F468 Y469 L470 | K462-L466 HydrophobicContact CB-CD1 4.09Å; K462-L466 WeakPolarHBondContact O-CA 3.31Å; K462-L466 VanDerWaalsContact O-CB 3.26Å; K462-L466 WeakPolarHBondContact O-CB 3.16Å; K462-L466 WeakPolarHBondContact O-CD1 3.44Å; K462-L466 PolarHBondContact O-N 2.79Å; V463-L466 PolarHBondContact O-N 3.22Å; L466-F468 PolarHBondContact O-N 3.38Å; L466-Y469 PolarHBondContact O-N 2.89Å; L466-L470 HydrophobicContact CD1-CD1 4.48Å; L466-L470 HydrophobicContact CD2-CB 3.99Å; L466-L470 HydrophobicContact CD2-CD1 3.96Å; L466-L470 HydrophobicContact CG-CB 3.93Å; L466-L470 HydrophobicContact CG-CD1 3.98Å; L466-L470 HydrophobicContact CG-CG 4.28Å; L466-L470 CarbonylContact O-C 3.57Å; L466-L470 PolarHBondContact O-N 3.46Å |
| 467 | F | 36.8 | Very low | 44.3 | Very low | 183 Ų | 183 | 132.9 Ų | 132.9 | 80% | 0.803 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | -12.1 | 165.5 | -153.7 | -90.7 | 0 | 0 | 0 | 111.7 | V463 | V463-F467 WeakPolarHBondContact O-CB 3.4Å; V463-F467 PolarHBondContact O-N 3.43Å |
| 468 | F | 38.6 | Very low | 42.7 | Very low | 171 Ų | 171 | 132.6 Ų | 132.6 | 75% | 0.75 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | -6.7 | 167.6 | -96.3 | -86.3 | 0 | 0 | 0 | 115.5 | V465 L466 | V465-F468 CarbonylContact O-C 3.57Å; V465-F468 WeakPolarHBondContact O-CA 3.25Å; V465-F468 WeakPolarHBondContact O-CB 3.33Å; V465-F468 PolarHBondContact O-N 2.87Å; V465-F468 VanDerWaalsContact O-N 3.12Å; L466-F468 PolarHBondContact O-N 3.38Å |
| 469 | Y | 39.8 | Very low | 41 | Very low | 188 Ų | 188 | 132.8 Ų | 132.8 | 74% | 0.737 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.9 | -22.5 | -171.1 | -93.9 | -82.5 | 0 | 0 | 0 | 119.2 | V465 L466 | V465-Y469 WeakPolarHBondContact O-CB 3.43Å; V465-Y469 PolarHBondContact O-N 2.99Å; L466-Y469 PolarHBondContact O-N 2.89Å |
| 470 | L | 32.9 | Very low | 39.6 | Very low | 102 Ų | 102 | 140.2 Ų | 140.2 | 53% | 0.534 | 67% | 0.666 | S | S | . | * | trans | -146.5 | 123 | 179 | -62.3 | 170.5 | 0 | 0 | 0 | 109.3 | L466 | L466-L470 HydrophobicContact CD1-CD1 4.48Å; L466-L470 HydrophobicContact CD2-CB 3.99Å; L466-L470 HydrophobicContact CD2-CD1 3.96Å; L466-L470 HydrophobicContact CG-CB 3.93Å; L466-L470 HydrophobicContact CG-CD1 3.98Å; L466-L470 HydrophobicContact CG-CG 4.28Å; L466-L470 CarbonylContact O-C 3.57Å; L466-L470 PolarHBondContact O-N 3.46Å | ||
| 471 | R | 36.7 | Very low | 38.5 | Very low | 212 Ų | 212 | 139.4 Ų | 139.4 | 80% | 0.8 | 66% | 0.662 | S | S | * | * | S | Bend | cis | 54.3 | 85.2 | 15.5 | -158.3 | 168.1 | -170.9 | 162.6 | 2.8 | 114.8 | ||
| 472 | E | 32.4 | Very low | 37.5 | Very low | 154 Ų | 154 | 140.3 Ų | 140.3 | 72% | 0.72 | 68% | 0.678 | S | S | * | * | trans | 74 | 101.9 | 160.9 | -64.8 | 161.7 | -128.5 | 0 | 0 | 117 | ||||
| 473 | P | 34.4 | Very low | 36.8 | Very low | 101 Ų | 101 | 139.2 Ų | 139.2 | 66% | 0.656 | 68% | 0.682 | S | S | * | * | trans | -113.6 | 171.5 | 174.3 | 40.5 | -32.2 | 0 | 0 | 0 | 114.8 | ||||
| 474 | N | 35.4 | Very low | 36.3 | Very low | 142 Ų | 142 | 140.7 Ų | 140.7 | 76% | 0.759 | 69% | 0.687 | S | S | * | * | trans | 72.9 | 163.5 | 170.1 | -51.3 | -43 | 0 | 0 | 0 | 114.8 | ||||
| 475 | V | 36.3 | Very low | 36.4 | Very low | 129 Ų | 129 | 139.5 Ų | 139.5 | 78% | 0.782 | 69% | 0.688 | S | S | * | * | cis | -134.6 | 127.7 | 19.7 | 174 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 476 | F | 31.6 | Very low | 36 | Very low | 185 Ų | 185 | 143.2 Ų | 143.2 | 81% | 0.811 | 70% | 0.7 | S | S | * | * | 69.1 | 147.7 | 79.6 | -127.2 | -89.2 | 0 | 0 | 0 | 116.3 | |||||
| 477 | K | 34.9 | Very low | 36.1 | Very low | 185 Ų | 185 | 147.9 Ų | 147.9 | 80% | 0.804 | 71% | 0.714 | S | S | * | * | trans | -67.5 | 145.7 | -176.3 | -54.7 | 168 | -178.4 | 171.2 | 0 | 113.1 | ||||
| 478 | K | 36.5 | Very low | 36.3 | Very low | 152 Ų | 152 | 143.3 Ų | 143.3 | 66% | 0.661 | 70% | 0.695 | S | S | * | * | -164.7 | 148.2 | 125.9 | -112.4 | 162.9 | -174.5 | 174.9 | 0 | 112.8 | |||||
| 479 | N | 30.6 | Very low | 36.6 | Very low | 146 Ų | 146 | 141.1 Ų | 141.1 | 78% | 0.781 | 69% | 0.687 | S | S | * | * | trans | -159.2 | 88.5 | 155.4 | -156 | -19.1 | 0 | 0 | 0 | 111.1 | ||||
| 480 | K | 32.7 | Very low | 36.8 | Very low | 201 Ų | 201 | 137 Ų | 137 | 87% | 0.874 | 67% | 0.674 | S | S | * | * | trans | -168.9 | 110.2 | 157 | -117.6 | 178.7 | -178.5 | -178.5 | 0 | 109.7 | ||||
| 481 | L | 32.2 | Very low | 37.6 | Very low | 96 Ų | 96 | 139.5 Ų | 139.5 | 50% | 0.503 | 68% | 0.677 | S | S | . | * | trans | -136.1 | 96.8 | -177.8 | -86.8 | 164.8 | 0 | 0 | 0 | 111.3 | Y1164 | L481-Y1164 HydrophobicContact CD1-CD1 3.53Å; L481-Y1164 HydrophobicContact CD1-CD2 3.94Å; L481-Y1164 HydrophobicContact CD1-CE1 3.96Å; L481-Y1164 HydrophobicContact CD1-CE2 4.36Å; L481-Y1164 HydrophobicContact CD1-CG 3.49Å; L481-Y1164 VanDerWaalsContact CD1-CG 3.49Å; L481-Y1164 HydrophobicContact CD2-CD1 4.24Å; L481-Y1164 HydrophobicContact CD2-CD2 3.6Å; L481-Y1164 HydrophobicContact CD2-CE1 4Å; L481-Y1164 HydrophobicContact CD2-CE2 3.34Å; L481-Y1164 HydrophobicContact CD2-CG 4.03Å; L481-Y1164 HydrophobicContact CG-CD1 4.47Å; L481-Y1164 HydrophobicContact CG-CD2 4.44Å; L481-Y1164 HydrophobicContact CG-CE1 4.47Å; L481-Y1164 HydrophobicContact CG-CE2 4.48Å; L481-Y1164 HydrophobicContact CG-CG 4.42Å | ||
| 482 | A | 33.8 | Very low | 38.1 | Very low | 105 Ų | 105 | 134.7 Ų | 134.7 | 87% | 0.868 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -168.4 | 71.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 483 | S | 37.2 | Very low | 38.9 | Very low | 68 Ų | 68 | 134 Ų | 134 | 48% | 0.476 | 66% | 0.655 | S | S | . | * | trans | -162.9 | -38.4 | 172.4 | -161.3 | 0 | 0 | 0 | 0 | 115.4 | H485 H486 | S483-H485 PolarHBondContact O-N 2.84Å; S483-H486 PolarHBondContact O-N 2.99Å | ||
| 484 | N | 39.8 | Very low | 39.6 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 58% | 0.583 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 43.8 | -166.6 | -66.5 | 36.5 | 0 | 0 | 0 | 116.3 | ||
| 485 | H | 42.8 | Very low | 40.2 | Very low | 157 Ų | 157 | 130.2 Ų | 130.2 | 73% | 0.727 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.3 | -28.8 | 157.5 | -98.6 | 37.8 | 0 | 0 | 0 | 112.5 | S483 | S483-H485 PolarHBondContact O-N 2.84Š|
| 486 | H | 40.7 | Very low | 40.8 | Very low | 157 Ų | 157 | 128.8 Ų | 128.8 | 73% | 0.727 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -74.9 | -44.7 | 176.1 | -151.1 | 60.1 | 0 | 0 | 0 | 111.2 | S483 H488 H489 H490 | S483-H486 PolarHBondContact O-N 2.99Å; H486-H488 PolarHBondContact O-N 2.76Å; H486-H489 PolarHBondContact O-N 3.42Å; H486-H490 WeakPolarHBondContact O-CB 3.29Å; H486-H490 PolarHBondContact O-N 3.14Å |
| 487 | Y | 42 | Very low | 41.7 | Very low | 162 Ų | 162 | 125.7 Ų | 125.7 | 64% | 0.635 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -58.4 | -41.8 | 178.8 | -98 | -87.7 | 0 | 0 | 0 | 113.8 | H490 Y491 | Y487-H490 PolarHBondContact O-N 3.07Å; Y487-Y491 VanDerWaalsContact O-CB 3.25Å; Y487-Y491 WeakPolarHBondContact O-CB 3.41Å; Y487-Y491 PolarHBondContact O-N 3.45Å |
| 488 | H | 41.8 | Very low | 42.5 | Very low | 88 Ų | 88 | 124.8 Ų | 124.8 | 41% | 0.407 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -72.8 | -34 | -174.9 | -150 | -45.1 | 0 | 0 | 0 | 112.5 | H486 H492 | H486-H488 PolarHBondContact O-N 2.76Å; H488-H492 WeakPolarHBondContact O-CB 3.41Å; H488-H492 PolarHBondContact O-N 2.98Å; H488-H492 VanDerWaalsContact O-N 3.15Å |
| 489 | H | 43.5 | Very low | 43.2 | Very low | 125 Ų | 125 | 122.5 Ų | 122.5 | 58% | 0.579 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -74.9 | -37.5 | 174.7 | -158.7 | -0.8 | 0 | 0 | 0 | 111.2 | H486 Y493 | H486-H489 PolarHBondContact O-N 3.42Å; H489-Y493 AromaticContact CE1-CD2 3.69Å; H489-Y493 AromaticContact CE1-CE2 3.64Å; H489-Y493 AromaticContact ND1-CD2 3.69Å; H489-Y493 WeakPolarHBondContact O-CB 3.45Å; H489-Y493 PolarHBondContact O-N 2.98Å |
| 490 | H | 45.6 | Very low | 44.4 | Very low | 101 Ų | 101 | 120.2 Ų | 120.2 | 47% | 0.468 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -69.5 | -39.4 | 176.3 | -166.6 | 52.9 | 0 | 0 | 0 | 112.5 | H486 Y487 Y493 Q494 | H486-H490 WeakPolarHBondContact O-CB 3.29Å; H486-H490 PolarHBondContact O-N 3.14Å; Y487-H490 PolarHBondContact O-N 3.07Å; H490-Y493 CarbonylContact O-C 3.56Å; H490-Y493 PolarHBondContact O-N 3.41Å; H490-Q494 PolarHBondContact CD2-NE2 3.49Å; H490-Q494 PolarHBondContact NE2-NE2 2.98Å; H490-Q494 WeakPolarHBondContact O-CB 3.48Å; H490-Q494 WeakPolarHBondContact O-CG 3.23Å; H490-Q494 PolarHBondContact O-N 3.07Å |
| 491 | Y | 48 | Very low | 45.4 | Very low | 154 Ų | 154 | 115.7 Ų | 115.7 | 60% | 0.604 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.2 | -38.2 | 175.3 | -156.5 | -102.7 | 0 | 0 | 0 | 111.5 | Y487 Q494 L495 | Y487-Y491 VanDerWaalsContact O-CB 3.25Å; Y487-Y491 WeakPolarHBondContact O-CB 3.41Å; Y487-Y491 PolarHBondContact O-N 3.45Å; Y491-Q494 PolarHBondContact O-N 3.42Å; Y491-L495 HydrophobicContact CD1-CD1 3.84Å; Y491-L495 HydrophobicContact CE1-CD1 3.85Å; Y491-L495 WeakPolarHBondContact O-CB 3.07Å; Y491-L495 PolarHBondContact O-N 2.9Å |
| 492 | H | 47.1 | Very low | 46.7 | Very low | 112 Ų | 112 | 115 Ų | 115 | 52% | 0.519 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.8 | -35.9 | 172.7 | -160.7 | -28.3 | 0 | 0 | 0 | 112 | H488 L495 M496 | H488-H492 WeakPolarHBondContact O-CB 3.41Å; H488-H492 PolarHBondContact O-N 2.98Å; H488-H492 VanDerWaalsContact O-N 3.15Å; H492-L495 PolarHBondContact O-N 3.12Å; H492-M496 WeakPolarHBondContact O-CB 3.43Å; H492-M496 WeakPolarHBondContact O-CG 3.35Å; H492-M496 PolarHBondContact O-N 3.46Å |
| 493 | Y | 49.9 | Very low | 48.2 | Very low | 138 Ų | 138 | 115.7 Ų | 115.7 | 54% | 0.541 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67 | -37.2 | 170.6 | -111.8 | -81.5 | 0 | 0 | 0 | 112.2 | H489 H490 M496 F497 | H489-Y493 AromaticContact CE1-CD2 3.69Å; H489-Y493 AromaticContact CE1-CE2 3.64Å; H489-Y493 AromaticContact ND1-CD2 3.69Å; H489-Y493 WeakPolarHBondContact O-CB 3.45Å; H489-Y493 PolarHBondContact O-N 2.98Å; H490-Y493 CarbonylContact O-C 3.56Å; H490-Y493 PolarHBondContact O-N 3.41Å; Y493-M496 PolarHBondContact O-N 3.39Å; Y493-F497 HydrophobicContact CD1-CD2 4.19Å; Y493-F497 HydrophobicContact CD1-CE2 4.39Å; Y493-F497 WeakPolarHBondContact O-CB 3.22Å; Y493-F497 PolarHBondContact O-N 3.05Å |
| 494 | Q | 49.9 | Very low | 49.5 | Very low | 89 Ų | 89 | 116.5 Ų | 116.5 | 42% | 0.416 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -71 | -29.8 | 174.9 | -76 | -178.3 | 4.2 | 0 | 0 | 112.6 | H490 Y491 R498 | H490-Q494 PolarHBondContact CD2-NE2 3.49Å; H490-Q494 PolarHBondContact NE2-NE2 2.98Å; H490-Q494 WeakPolarHBondContact O-CB 3.48Å; H490-Q494 WeakPolarHBondContact O-CG 3.23Å; H490-Q494 PolarHBondContact O-N 3.07Å; Y491-Q494 PolarHBondContact O-N 3.42Å; Q494-R498 WeakPolarHBondContact O-CB 3.43Å; Q494-R498 WeakPolarHBondContact O-CG 3.38Å; Q494-R498 PolarHBondContact O-N 3.14Å |
| 495 | L | 46.9 | Very low | 50.6 | Low | 76 Ų | 76 | 116 Ų | 116 | 40% | 0.398 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -74.1 | -35.7 | 170.4 | -91.2 | 159.3 | 0 | 0 | 0 | 112.3 | Y491 H492 N499 | Y491-L495 HydrophobicContact CD1-CD1 3.84Å; Y491-L495 HydrophobicContact CE1-CD1 3.85Å; Y491-L495 WeakPolarHBondContact O-CB 3.07Å; Y491-L495 PolarHBondContact O-N 2.9Å; H492-L495 PolarHBondContact O-N 3.12Å; L495-N499 WeakPolarHBondContact O-CB 3.5Å; L495-N499 VanDerWaalsContact O-CG 3.25Å; L495-N499 PolarHBondContact O-N 3.49Å; L495-N499 PolarHBondContact O-ND2 3.17Å |
| 496 | M | 50.3 | Low | 51.6 | Low | 98 Ų | 98 | 113.1 Ų | 113.1 | 48% | 0.483 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.7 | -54.8 | 170.1 | -66.8 | -87.6 | -69.8 | 0 | 0 | 110 | H492 Y493 R498 N499 E500 | H492-M496 WeakPolarHBondContact O-CB 3.43Å; H492-M496 WeakPolarHBondContact O-CG 3.35Å; H492-M496 PolarHBondContact O-N 3.46Å; Y493-M496 PolarHBondContact O-N 3.39Å; M496-R498 VanDerWaalsContact C-N 3.3Å; M496-R498 PolarHBondContact O-N 3.23Å; M496-N499 CarbonylContact O-C 3.39Å; M496-N499 WeakPolarHBondContact O-CA 3.23Å; M496-N499 PolarHBondContact O-N 3.05Å; M496-E500 PolarHBondContact O-N 3.41Å |
| 497 | F | 50.2 | Low | 53 | Low | 120 Ų | 120 | 111.9 Ų | 111.9 | 53% | 0.526 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.5 | -38.1 | 175.5 | -105.8 | -95.2 | 0 | 0 | 0 | 112.6 | Y493 N499 E500 E501 | Y493-F497 HydrophobicContact CD1-CD2 4.19Å; Y493-F497 HydrophobicContact CD1-CE2 4.39Å; Y493-F497 WeakPolarHBondContact O-CB 3.22Å; Y493-F497 PolarHBondContact O-N 3.05Å; F497-N499 VanDerWaalsContact C-N 3.35Å; F497-E500 PolarHBondContact O-N 2.9Å; F497-E501 WeakPolarHBondContact O-CB 3.44Å; F497-E501 VanDerWaalsContact O-CG 3.23Å; F497-E501 WeakPolarHBondContact O-CG 3.31Å; F497-E501 PolarHBondContact O-N 3.34Å |
| 498 | R | 50.3 | Low | 54.2 | Low | 167 Ų | 167 | 109 Ų | 109 | 63% | 0.63 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -71.7 | -26.9 | 173.9 | -85.3 | -177.3 | 159.6 | -170.5 | -5.4 | 113.5 | Q494 M496 N502 | Q494-R498 WeakPolarHBondContact O-CB 3.43Å; Q494-R498 WeakPolarHBondContact O-CG 3.38Å; Q494-R498 PolarHBondContact O-N 3.14Å; M496-R498 VanDerWaalsContact C-N 3.3Å; M496-R498 PolarHBondContact O-N 3.23Å; R498-N502 WeakPolarHBondContact O-CB 3.37Å; R498-N502 VanDerWaalsContact O-CG 3.27Å; R498-N502 PolarHBondContact O-N 2.71Å; R498-N502 PolarHBondContact O-ND2 3.15Å |
| 499 | N | 52.7 | Low | 55.5 | Low | 103 Ų | 103 | 109.4 Ų | 109.4 | 55% | 0.551 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -80.1 | -33.2 | 174 | -76.3 | -23.8 | 0 | 0 | 0 | 111.4 | L495 M496 F497 M503 | L495-N499 WeakPolarHBondContact O-CB 3.5Å; L495-N499 VanDerWaalsContact O-CG 3.25Å; L495-N499 PolarHBondContact O-N 3.49Å; L495-N499 PolarHBondContact O-ND2 3.17Å; M496-N499 CarbonylContact O-C 3.39Å; M496-N499 WeakPolarHBondContact O-CA 3.23Å; M496-N499 PolarHBondContact O-N 3.05Å; F497-N499 VanDerWaalsContact C-N 3.35Å; N499-M503 VanDerWaalsContact O-CB 3.3Å; N499-M503 WeakPolarHBondContact O-CB 3.37Å; N499-M503 PolarHBondContact O-N 2.73Å |
| 500 | E | 55.3 | Low | 56.8 | Low | 99 Ų | 99 | 108 Ų | 108 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.5 | -47 | 169.7 | -71.2 | 170.7 | 131.4 | 0 | 0 | 110.5 | M496 F497 N502 M503 D504 | M496-E500 PolarHBondContact O-N 3.41Å; F497-E500 PolarHBondContact O-N 2.9Å; E500-N502 VanDerWaalsContact C-N 3.32Å; E500-N502 PolarHBondContact O-N 2.82Å; E500-M503 CarbonylContact O-C 3.43Å; E500-M503 WeakPolarHBondContact O-CA 3.28Å; E500-M503 PolarHBondContact O-N 3.35Å; E500-D504 WeakPolarHBondContact O-CB 3.43Å; E500-D504 PolarHBondContact O-N 3.28Å |
| 501 | E | 54.4 | Low | 58 | Low | 106 Ų | 106 | 105.7 Ų | 105.7 | 50% | 0.495 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.2 | -39.6 | 170.3 | -77.2 | 178.5 | 150.5 | 0 | 0 | 111.9 | F497 M503 L505 | F497-E501 WeakPolarHBondContact O-CB 3.44Å; F497-E501 VanDerWaalsContact O-CG 3.23Å; F497-E501 WeakPolarHBondContact O-CG 3.31Å; F497-E501 PolarHBondContact O-N 3.34Å; E501-M503 VanDerWaalsContact C-N 3.33Å; E501-L505 WeakPolarHBondContact O-CB 3.44Å; E501-L505 WeakPolarHBondContact O-CD1 3.48Å; E501-L505 WeakPolarHBondContact O-CG 3.38Å; E501-L505 PolarHBondContact O-N 3.26Å |
| 502 | N | 59.7 | Low | 59 | Low | 82 Ų | 82 | 102 Ų | 102 | 44% | 0.439 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -73 | -24.5 | 174.2 | -83.1 | -61.2 | 0 | 0 | 0 | 112.9 | R498 E500 H506 | R498-N502 WeakPolarHBondContact O-CB 3.37Å; R498-N502 VanDerWaalsContact O-CG 3.27Å; R498-N502 PolarHBondContact O-N 2.71Å; R498-N502 PolarHBondContact O-ND2 3.15Å; E500-N502 VanDerWaalsContact C-N 3.32Å; E500-N502 PolarHBondContact O-N 2.82Å; N502-H506 WeakPolarHBondContact O-CB 3.19Å; N502-H506 PolarHBondContact O-CD2 3.44Å; N502-H506 PolarHBondContact O-N 3.48Å |
| 503 | M | 65.2 | Low | 60.1 | Low | 119 Ų | 119 | 99.1 Ų | 99.1 | 59% | 0.586 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -78.7 | -45.8 | 174.2 | -163.8 | -176.6 | 79.8 | 0 | 0 | 110.4 | N499 E500 E501 L505 H506 E507 | N499-M503 VanDerWaalsContact O-CB 3.3Å; N499-M503 WeakPolarHBondContact O-CB 3.37Å; N499-M503 PolarHBondContact O-N 2.73Å; E500-M503 CarbonylContact O-C 3.43Å; E500-M503 WeakPolarHBondContact O-CA 3.28Å; E500-M503 PolarHBondContact O-N 3.35Å; E501-M503 VanDerWaalsContact C-N 3.33Å; M503-L505 VanDerWaalsContact C-N 3.28Å; M503-L505 PolarHBondContact O-N 3.44Å; M503-H506 CarbonylContact O-C 3.57Å; M503-H506 PolarHBondContact O-N 3.44Å; M503-H506 VanDerWaalsContact O-N 3.1Å; M503-E507 WeakPolarHBondContact O-CB 3.44Å; M503-E507 PolarHBondContact O-N 3.24Å |
| 504 | D | 64.1 | Low | 61.3 | Low | 85 Ų | 85 | 96.3 Ų | 96.3 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.8 | -38.8 | 169 | -83.4 | 11.5 | 0 | 0 | 0 | 111.3 | E500 Q508 | E500-D504 WeakPolarHBondContact O-CB 3.43Å; E500-D504 PolarHBondContact O-N 3.28Å; D504-Q508 WeakPolarHBondContact O-CB 3.2Å; D504-Q508 WeakPolarHBondContact O-CG 3.4Å; D504-Q508 PolarHBondContact O-N 2.87Å; D504-Q508 PolarHBondContact O-NE2 3.22Å |
| 505 | L | 62.1 | Low | 62.3 | Low | 98 Ų | 98 | 98.5 Ų | 98.5 | 51% | 0.513 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -72.1 | -34.3 | 174.3 | -78 | 167.8 | 0 | 0 | 0 | 112.1 | E501 M503 L509 | E501-L505 WeakPolarHBondContact O-CB 3.44Å; E501-L505 WeakPolarHBondContact O-CD1 3.48Å; E501-L505 WeakPolarHBondContact O-CG 3.38Å; E501-L505 PolarHBondContact O-N 3.26Å; M503-L505 VanDerWaalsContact C-N 3.28Å; M503-L505 PolarHBondContact O-N 3.44Å; L505-L509 WeakPolarHBondContact O-CB 3.28Å; L505-L509 PolarHBondContact O-N 2.85Å |
| 506 | H | 64 | Low | 63.3 | Low | 96 Ų | 96 | 99.8 Ų | 99.8 | 44% | 0.444 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.7 | -40.7 | 171.7 | -101.1 | -70.3 | 0 | 0 | 0 | 112 | N502 M503 L509 D510 | N502-H506 WeakPolarHBondContact O-CB 3.19Å; N502-H506 PolarHBondContact O-CD2 3.44Å; N502-H506 PolarHBondContact O-N 3.48Å; M503-H506 CarbonylContact O-C 3.57Å; M503-H506 PolarHBondContact O-N 3.44Å; M503-H506 VanDerWaalsContact O-N 3.1Å; H506-L509 CarbonylContact O-C 3.53Å; H506-L509 PolarHBondContact O-N 2.86Å; H506-L509 VanDerWaalsContact O-N 3.16Å; H506-D510 WeakPolarHBondContact O-CB 3.48Å; H506-D510 PolarHBondContact O-N 3.27Å |
| 507 | E | 70.3 | Confident | 64.3 | Low | 132 Ų | 132 | 99.2 Ų | 99.2 | 62% | 0.617 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -71.9 | -31.6 | 176.9 | -168.9 | 166.5 | -129.5 | 0 | 0 | 111.1 | M503 S511 | M503-E507 WeakPolarHBondContact O-CB 3.44Å; M503-E507 PolarHBondContact O-N 3.24Å; E507-S511 WeakPolarHBondContact O-CA 3.21Å; E507-S511 WeakPolarHBondContact O-CB 3.38Å; E507-S511 PolarHBondContact O-N 3.48Å |
| 508 | Q | 66.7 | Low | 65.4 | Low | 102 Ų | 102 | 99.1 Ų | 99.1 | 48% | 0.477 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.1 | -39.8 | 165 | -77.7 | 171.5 | 67.4 | 0 | 0 | 112.1 | D504 S511 I512 | D504-Q508 WeakPolarHBondContact O-CB 3.2Å; D504-Q508 WeakPolarHBondContact O-CG 3.4Å; D504-Q508 PolarHBondContact O-N 2.87Å; D504-Q508 PolarHBondContact O-NE2 3.22Å; Q508-S511 CarbonylContact O-C 3.53Å; Q508-S511 PolarHBondContact O-N 2.81Å; Q508-I512 WeakPolarHBondContact O-CB 3.5Å; Q508-I512 WeakPolarHBondContact O-CD1 3.16Å; Q508-I512 WeakPolarHBondContact O-CG1 3.19Å; Q508-I512 PolarHBondContact O-N 2.96Å |
| 509 | L | 69.2 | Low | 66 | Low | 96 Ų | 96 | 93.1 Ų | 93.1 | 50% | 0.503 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.6 | -37.5 | 178.2 | -168 | 73 | 0 | 0 | 0 | 111.5 | L505 H506 I512 S513 | L505-L509 WeakPolarHBondContact O-CB 3.28Å; L505-L509 PolarHBondContact O-N 2.85Å; H506-L509 CarbonylContact O-C 3.53Å; H506-L509 PolarHBondContact O-N 2.86Å; H506-L509 VanDerWaalsContact O-N 3.16Å; L509-I512 CarbonylContact O-C 3.55Å; L509-I512 PolarHBondContact O-N 3.39Å; L509-S513 WeakPolarHBondContact O-CB 3.36Å; L509-S513 PolarHBondContact O-N 2.93Å; L509-S513 PolarHBondContact O-OG 2.9Å |
| 510 | D | 71.1 | Confident | 66.6 | Low | 96 Ų | 96 | 91.3 Ų | 91.3 | 51% | 0.513 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -72.3 | -39 | 172.8 | -76.2 | -12.6 | 0 | 0 | 0 | 110.3 | H506 I512 S513 V514 | H506-D510 WeakPolarHBondContact O-CB 3.48Å; H506-D510 PolarHBondContact O-N 3.27Å; D510-I512 VanDerWaalsContact C-N 3.31Å; D510-I512 PolarHBondContact O-N 3.49Å; D510-S513 PolarHBondContact O-N 3.35Å; D510-V514 VanDerWaalsContact O-CB 3.31Å; D510-V514 WeakPolarHBondContact O-CB 3.48Å; D510-V514 VanDerWaalsContact O-CG2 3.28Å; D510-V514 WeakPolarHBondContact O-CG2 3.24Å; D510-V514 PolarHBondContact O-N 3.27Å |
| 511 | S | 71.4 | Confident | 67.1 | Low | 52 Ų | 52 | 92.5 Ų | 92.5 | 36% | 0.364 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.3 | -33.7 | 170.8 | -179.7 | 0 | 0 | 0 | 0 | 112.5 | E507 Q508 R515 | E507-S511 WeakPolarHBondContact O-CA 3.21Å; E507-S511 WeakPolarHBondContact O-CB 3.38Å; E507-S511 PolarHBondContact O-N 3.48Å; Q508-S511 CarbonylContact O-C 3.53Å; Q508-S511 PolarHBondContact O-N 2.81Å; S511-R515 WeakPolarHBondContact O-CB 3.31Å; S511-R515 VanDerWaalsContact O-CG 3.27Å; S511-R515 WeakPolarHBondContact O-CG 3.29Å; S511-R515 PolarHBondContact O-N 3.44Å; S511-R515 PolarHBondContact O-NE 2.81Å; S511-R515 PolarHBondContact OG-NE 3.31Å; S511-R515 PolarHBondContact OG-NH2 3.31Å |
| 512 | I | 69 | Low | 67.3 | Low | 77 Ų | 77 | 89.9 Ų | 89.9 | 40% | 0.395 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -75.6 | -35.8 | 173.3 | -75.3 | 164.7 | 0 | 0 | 0 | 110.5 | Q508 L509 D510 R515 L516 | Q508-I512 WeakPolarHBondContact O-CB 3.5Å; Q508-I512 WeakPolarHBondContact O-CD1 3.16Å; Q508-I512 WeakPolarHBondContact O-CG1 3.19Å; Q508-I512 PolarHBondContact O-N 2.96Å; L509-I512 CarbonylContact O-C 3.55Å; L509-I512 PolarHBondContact O-N 3.39Å; D510-I512 VanDerWaalsContact C-N 3.31Å; D510-I512 PolarHBondContact O-N 3.49Å; I512-R515 CarbonylContact O-C 3.6Å; I512-R515 PolarHBondContact O-N 2.92Å; I512-L516 HydrophobicContact CG2-CD1 4Å; I512-L516 VanDerWaalsContact O-CB 3.23Å; I512-L516 WeakPolarHBondContact O-CB 3.4Å; I512-L516 WeakPolarHBondContact O-CG 3.11Å; I512-L516 PolarHBondContact O-N 2.9Å |
| 513 | S | 70.2 | Confident | 67.1 | Low | 51 Ų | 51 | 90.5 Ų | 90.5 | 36% | 0.357 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -73.3 | -40.3 | 177.9 | -61.6 | 0 | 0 | 0 | 0 | 111.5 | L509 D510 L516 V517 | L509-S513 WeakPolarHBondContact O-CB 3.36Å; L509-S513 PolarHBondContact O-N 2.93Å; L509-S513 PolarHBondContact O-OG 2.9Å; D510-S513 PolarHBondContact O-N 3.35Å; S513-L516 CarbonylContact O-C 3.53Å; S513-L516 PolarHBondContact O-N 3.47Å; S513-V517 WeakPolarHBondContact O-CB 3.42Å; S513-V517 VanDerWaalsContact O-CG2 3.31Å; S513-V517 WeakPolarHBondContact O-CG2 3.49Å; S513-V517 PolarHBondContact O-N 2.66Å |
| 514 | V | 73.5 | Confident | 66.5 | Low | 79 Ų | 79 | 90.4 Ų | 90.4 | 48% | 0.479 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.9 | -49.5 | 168 | 170.2 | 0 | 0 | 0 | 0 | 109.3 | D510 L516 V517 E518 | D510-V514 VanDerWaalsContact O-CB 3.31Å; D510-V514 WeakPolarHBondContact O-CB 3.48Å; D510-V514 VanDerWaalsContact O-CG2 3.28Å; D510-V514 WeakPolarHBondContact O-CG2 3.24Å; D510-V514 PolarHBondContact O-N 3.27Å; V514-L516 VanDerWaalsContact C-N 3.25Å; V514-L516 PolarHBondContact O-N 2.86Å; V514-V517 CarbonylContact O-C 3.6Å; V514-V517 PolarHBondContact O-N 3.33Å; V514-V517 VanDerWaalsContact O-N 3.15Å; V514-E518 HydrophobicContact CG1-CG 4.17Å; V514-E518 VanDerWaalsContact O-CB 3.29Å; V514-E518 WeakPolarHBondContact O-CB 3.35Å; V514-E518 VanDerWaalsContact O-CG 3.31Å; V514-E518 WeakPolarHBondContact O-CG 3.42Å; V514-E518 PolarHBondContact O-N 3.02Å |
| 515 | R | 71.1 | Confident | 65.8 | Low | 135 Ų | 135 | 90.9 Ų | 90.9 | 51% | 0.509 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.6 | -26.2 | 174.5 | -79.1 | 177 | -75.5 | 165.3 | -7.7 | 113.9 | S511 I512 A519 | S511-R515 WeakPolarHBondContact O-CB 3.31Å; S511-R515 VanDerWaalsContact O-CG 3.27Å; S511-R515 WeakPolarHBondContact O-CG 3.29Å; S511-R515 PolarHBondContact O-N 3.44Å; S511-R515 PolarHBondContact O-NE 2.81Å; S511-R515 PolarHBondContact OG-NE 3.31Å; S511-R515 PolarHBondContact OG-NH2 3.31Å; I512-R515 CarbonylContact O-C 3.6Å; I512-R515 PolarHBondContact O-N 2.92Å; R515-A519 WeakPolarHBondContact O-CA 3.47Å; R515-A519 WeakPolarHBondContact O-CB 3.45Å; R515-A519 PolarHBondContact O-N 2.85Å |
| 516 | L | 68 | Low | 64.7 | Low | 103 Ų | 103 | 93.3 Ų | 93.3 | 54% | 0.539 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -78.7 | -35.6 | 172.7 | -91.4 | 165.5 | 0 | 0 | 0 | 112.1 | I512 S513 V514 T520 | I512-L516 HydrophobicContact CG2-CD1 4Å; I512-L516 VanDerWaalsContact O-CB 3.23Å; I512-L516 WeakPolarHBondContact O-CB 3.4Å; I512-L516 WeakPolarHBondContact O-CG 3.11Å; I512-L516 PolarHBondContact O-N 2.9Å; S513-L516 CarbonylContact O-C 3.53Å; S513-L516 PolarHBondContact O-N 3.47Å; V514-L516 VanDerWaalsContact C-N 3.25Å; V514-L516 PolarHBondContact O-N 2.86Å; L516-T520 WeakPolarHBondContact O-CA 3.2Å; L516-T520 WeakPolarHBondContact O-CB 3.25Å; L516-T520 PolarHBondContact O-N 2.77Å; L516-T520 PolarHBondContact O-OG1 3.42Å |
| 517 | V | 72.8 | Confident | 63.5 | Low | 85 Ų | 85 | 97.3 Ų | 97.3 | 52% | 0.515 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -73.5 | -34.6 | 173 | 169.1 | 0 | 0 | 0 | 0 | 110.8 | S513 V514 K521 | S513-V517 WeakPolarHBondContact O-CB 3.42Å; S513-V517 VanDerWaalsContact O-CG2 3.31Å; S513-V517 WeakPolarHBondContact O-CG2 3.49Å; S513-V517 PolarHBondContact O-N 2.66Å; V514-V517 CarbonylContact O-C 3.6Å; V514-V517 PolarHBondContact O-N 3.33Å; V514-V517 VanDerWaalsContact O-N 3.15Å; V517-K521 WeakPolarHBondContact O-CB 3.43Å; V517-K521 VanDerWaalsContact O-CG 3.3Å; V517-K521 WeakPolarHBondContact O-CG 3.38Å; V517-K521 PolarHBondContact O-N 2.97Å |
| 518 | E | 71.6 | Confident | 61.9 | Low | 118 Ų | 118 | 93 Ų | 93 | 55% | 0.551 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -73.1 | -39 | 171.8 | -72.7 | -179.7 | 153.7 | 0 | 0 | 111.6 | V514 A522 | V514-E518 HydrophobicContact CG1-CG 4.17Å; V514-E518 VanDerWaalsContact O-CB 3.29Å; V514-E518 WeakPolarHBondContact O-CB 3.35Å; V514-E518 VanDerWaalsContact O-CG 3.31Å; V514-E518 WeakPolarHBondContact O-CG 3.42Å; V514-E518 PolarHBondContact O-N 3.02Å; E518-A522 WeakPolarHBondContact O-CA 3.43Å; E518-A522 WeakPolarHBondContact O-CB 3.17Å; E518-A522 PolarHBondContact O-N 3.18Å |
| 519 | A | 64.3 | Low | 60.6 | Low | 42 Ų | 42 | 93.4 Ų | 93.4 | 35% | 0.347 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.8 | -38.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | R515 A522 I523 | R515-A519 WeakPolarHBondContact O-CA 3.47Å; R515-A519 WeakPolarHBondContact O-CB 3.45Å; R515-A519 PolarHBondContact O-N 2.85Å; A519-A522 PolarHBondContact O-N 3.31Å; A519-I523 VanDerWaalsContact O-CB 3.29Å; A519-I523 WeakPolarHBondContact O-CB 3.36Å; A519-I523 WeakPolarHBondContact O-CD1 3.17Å; A519-I523 WeakPolarHBondContact O-CG1 3.25Å; A519-I523 PolarHBondContact O-N 3.22Å |
| 520 | T | 65.2 | Low | 58.9 | Low | 65 Ų | 65 | 90.6 Ų | 90.6 | 40% | 0.399 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.5 | -44.6 | 175.2 | -57.8 | 0 | 0 | 0 | 0 | 109.9 | L516 A522 I523 E524 | L516-T520 WeakPolarHBondContact O-CA 3.2Å; L516-T520 WeakPolarHBondContact O-CB 3.25Å; L516-T520 PolarHBondContact O-N 2.77Å; L516-T520 PolarHBondContact O-OG1 3.42Å; T520-A522 VanDerWaalsContact C-N 3.35Å; T520-A522 PolarHBondContact O-N 2.81Å; T520-I523 CarbonylContact O-C 3.53Å; T520-I523 PolarHBondContact O-N 3.45Å; T520-E524 HydrophobicContact CG2-CG 4.31Å; T520-E524 WeakPolarHBondContact O-CB 3.37Å; T520-E524 VanDerWaalsContact O-CG 3.29Å; T520-E524 WeakPolarHBondContact O-CG 3.33Å; T520-E524 PolarHBondContact O-N 3.24Å |
| 521 | K | 65.8 | Low | 57.2 | Low | 124 Ų | 124 | 90 Ų | 90 | 54% | 0.539 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.4 | -36.6 | 170 | -80.3 | -175.1 | 174.7 | -178.1 | 0 | 112.9 | V517 I523 E524 I525 | V517-K521 WeakPolarHBondContact O-CB 3.43Å; V517-K521 VanDerWaalsContact O-CG 3.3Å; V517-K521 WeakPolarHBondContact O-CG 3.38Å; V517-K521 PolarHBondContact O-N 2.97Å; K521-I523 VanDerWaalsContact C-N 3.28Å; K521-I523 PolarHBondContact O-N 3.3Å; K521-E524 PolarHBondContact O-N 2.69Å; K521-I525 WeakPolarHBondContact O-CB 3.46Å; K521-I525 WeakPolarHBondContact O-CD1 3.41Å; K521-I525 WeakPolarHBondContact O-CG1 3.21Å; K521-I525 PolarHBondContact O-N 3.21Å |
| 522 | A | 59 | Low | 55.5 | Low | 51 Ų | 51 | 90.2 Ų | 90.2 | 42% | 0.421 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.1 | -31.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | E518 A519 T520 F526 | E518-A522 WeakPolarHBondContact O-CA 3.43Å; E518-A522 WeakPolarHBondContact O-CB 3.17Å; E518-A522 PolarHBondContact O-N 3.18Å; A519-A522 PolarHBondContact O-N 3.31Å; T520-A522 VanDerWaalsContact C-N 3.35Å; T520-A522 PolarHBondContact O-N 2.81Å; A522-F526 VanDerWaalsContact O-CB 3.26Å; A522-F526 WeakPolarHBondContact O-CB 3.43Å; A522-F526 PolarHBondContact O-N 2.8Å |
| 523 | I | 55.7 | Low | 54 | Low | 95 Ų | 95 | 89.7 Ų | 89.7 | 49% | 0.487 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -75.8 | -43.4 | 173 | -72.5 | 164.3 | 0 | 0 | 0 | 111 | A519 T520 K521 I525 F526 Y527 | A519-I523 VanDerWaalsContact O-CB 3.29Å; A519-I523 WeakPolarHBondContact O-CB 3.36Å; A519-I523 WeakPolarHBondContact O-CD1 3.17Å; A519-I523 WeakPolarHBondContact O-CG1 3.25Å; A519-I523 PolarHBondContact O-N 3.22Å; T520-I523 CarbonylContact O-C 3.53Å; T520-I523 PolarHBondContact O-N 3.45Å; K521-I523 VanDerWaalsContact C-N 3.28Å; K521-I523 PolarHBondContact O-N 3.3Å; I523-I525 VanDerWaalsContact C-N 3.29Å; I523-I525 PolarHBondContact O-N 2.81Å; I523-F526 CarbonylContact O-C 3.59Å; I523-F526 PolarHBondContact O-N 2.82Å; I523-F526 VanDerWaalsContact O-N 3.11Å; I523-Y527 HydrophobicContact CG2-CD2 3.87Å; I523-Y527 HydrophobicContact CG2-CE2 4.3Å; I523-Y527 WeakPolarHBondContact O-CB 3.49Å; I523-Y527 WeakPolarHBondContact O-CD2 3.34Å; I523-Y527 PolarHBondContact O-N 3.02Å |
| 524 | E | 51.2 | Low | 52.4 | Low | 117 Ų | 117 | 90 Ų | 90 | 55% | 0.547 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65 | -33.9 | 173.3 | -71.6 | 171.6 | 156 | 0 | 0 | 111.2 | T520 K521 G528 D529 | T520-E524 HydrophobicContact CG2-CG 4.31Å; T520-E524 WeakPolarHBondContact O-CB 3.37Å; T520-E524 VanDerWaalsContact O-CG 3.29Å; T520-E524 WeakPolarHBondContact O-CG 3.33Å; T520-E524 PolarHBondContact O-N 3.24Å; K521-E524 PolarHBondContact O-N 2.69Å; E524-G528 WeakPolarHBondContact O-CA 3.31Å; E524-G528 PolarHBondContact O-N 3.14Å; E524-D529 PolarHBondContact O-N 3.5Å |
| 525 | I | 50 | Low | 50.7 | Low | 94 Ų | 94 | 88.3 Ų | 88.3 | 48% | 0.482 | 50% | 0.495 | S | S | . | . | I | π-helix | trans | -72.5 | -40.5 | 168.9 | -68.7 | 164.3 | 0 | 0 | 0 | 109.8 | K521 I523 Y527 D529 A530 | K521-I525 WeakPolarHBondContact O-CB 3.46Å; K521-I525 WeakPolarHBondContact O-CD1 3.41Å; K521-I525 WeakPolarHBondContact O-CG1 3.21Å; K521-I525 PolarHBondContact O-N 3.21Å; I523-I525 VanDerWaalsContact C-N 3.29Å; I523-I525 PolarHBondContact O-N 2.81Å; I525-Y527 PolarHBondContact O-N 2.86Å; I525-D529 PolarHBondContact O-N 2.83Å; I525-A530 WeakPolarHBondContact O-CA 3.42Å; I525-A530 WeakPolarHBondContact O-CB 3.4Å; I525-A530 PolarHBondContact O-N 3.32Å |
| 526 | F | 38.7 | Very low | 49.1 | Very low | 150 Ų | 150 | 84.8 Ų | 84.8 | 66% | 0.658 | 50% | 0.495 | S | S | * | . | I | π-helix | trans | -64.1 | -40.5 | 177.4 | -121.3 | -100.2 | 0 | 0 | 0 | 113.3 | A522 I523 T531 | A522-F526 VanDerWaalsContact O-CB 3.26Å; A522-F526 WeakPolarHBondContact O-CB 3.43Å; A522-F526 PolarHBondContact O-N 2.8Å; I523-F526 CarbonylContact O-C 3.59Å; I523-F526 PolarHBondContact O-N 2.82Å; I523-F526 VanDerWaalsContact O-N 3.11Å; F526-T531 VanDerWaalsContact O-CG2 3.26Å; F526-T531 WeakPolarHBondContact O-CG2 3.25Å; F526-T531 PolarHBondContact O-N 2.59Å; F526-T531 PolarHBondContact O-OG1 2.97Å; F526-T531 VanDerWaalsContact O-OG1 3.05Å |
| 527 | Y | 38.9 | Very low | 47.6 | Very low | 179 Ų | 179 | 82.8 Ų | 82.8 | 70% | 0.702 | 49% | 0.493 | S | S | * | . | I | π-helix | trans | -105.5 | -21.2 | -170.8 | -75.7 | -93 | 0 | 0 | 0 | 114.3 | I523 I525 T531 | I523-Y527 HydrophobicContact CG2-CD2 3.87Å; I523-Y527 HydrophobicContact CG2-CE2 4.3Å; I523-Y527 WeakPolarHBondContact O-CB 3.49Å; I523-Y527 WeakPolarHBondContact O-CD2 3.34Å; I523-Y527 PolarHBondContact O-N 3.02Å; I525-Y527 PolarHBondContact O-N 2.86Å; Y527-T531 WeakPolarHBondContact CA-OG1 3.41Å; Y527-T531 PolarHBondContact O-OG1 3.18Å |
| 528 | G | 37.3 | Very low | 45.9 | Very low | 43 Ų | 43 | 81.7 Ų | 81.7 | 44% | 0.443 | 49% | 0.493 | S | S | . | . | I | π-helix | trans | -104.5 | -48.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | E524 A532 | E524-G528 WeakPolarHBondContact O-CA 3.31Å; E524-G528 PolarHBondContact O-N 3.14Å; G528-A532 VanDerWaalsContact O-CB 3.22Å; G528-A532 WeakPolarHBondContact O-CB 3.22Å |
| 529 | D | 38.2 | Very low | 44.3 | Very low | 110 Ų | 110 | 79.5 Ų | 79.5 | 59% | 0.588 | 50% | 0.495 | S | S | * | . | I | π-helix | trans | -100.7 | -42.8 | -177.8 | -83.2 | -41.2 | 0 | 0 | 0 | 114 | E524 I525 A532 A533 | E524-D529 PolarHBondContact O-N 3.5Å; I525-D529 PolarHBondContact O-N 2.83Å; D529-A532 PolarHBondContact O-N 3.08Å; D529-A533 VanDerWaalsContact O-CB 3.3Å; D529-A533 WeakPolarHBondContact O-CB 3.44Å; D529-A533 PolarHBondContact O-N 3.42Å |
| 530 | A | 34.5 | Very low | 42.9 | Very low | 37 Ų | 37 | 79.7 Ų | 79.7 | 31% | 0.306 | 50% | 0.497 | S | S | . | . | I | π-helix | trans | -74.7 | -47.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I525 A532 A534 A535 | I525-A530 WeakPolarHBondContact O-CA 3.42Å; I525-A530 WeakPolarHBondContact O-CB 3.4Å; I525-A530 PolarHBondContact O-N 3.32Å; A530-A532 PolarHBondContact O-N 2.92Å; A530-A532 VanDerWaalsContact O-N 3.16Å; A530-A534 CarbonylContact O-C 3.58Å; A530-A534 WeakPolarHBondContact O-CA 3.48Å; A530-A534 WeakPolarHBondContact O-CB 3.45Å; A530-A534 PolarHBondContact O-N 3.12Å; A530-A535 PolarHBondContact O-N 3.31Å |
| 531 | T | 34.9 | Very low | 41.2 | Very low | 83 Ų | 83 | 80.3 Ų | 80.3 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | I | π-helix | trans | -71.7 | 0.4 | 171.5 | 44.3 | 0 | 0 | 0 | 0 | 114.3 | F526 Y527 A535 | F526-T531 VanDerWaalsContact O-CG2 3.26Å; F526-T531 WeakPolarHBondContact O-CG2 3.25Å; F526-T531 PolarHBondContact O-N 2.59Å; F526-T531 PolarHBondContact O-OG1 2.97Å; F526-T531 VanDerWaalsContact O-OG1 3.05Å; Y527-T531 WeakPolarHBondContact CA-OG1 3.41Å; Y527-T531 PolarHBondContact O-OG1 3.18Å; T531-A535 WeakPolarHBondContact O-CB 3.47Å |
| 532 | A | 36 | Very low | 40 | Very low | 56 Ų | 56 | 77.6 Ų | 77.6 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | I | π-helix | trans | -103.4 | -61.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | G528 D529 A530 A536 | G528-A532 VanDerWaalsContact O-CB 3.22Å; G528-A532 WeakPolarHBondContact O-CB 3.22Å; D529-A532 PolarHBondContact O-N 3.08Å; A530-A532 PolarHBondContact O-N 2.92Å; A530-A532 VanDerWaalsContact O-N 3.16Å; A532-A536 WeakPolarHBondContact O-CB 3.5Å; A532-A536 PolarHBondContact O-N 3.16Å |
| 533 | A | 36.5 | Very low | 39 | Very low | 67 Ų | 67 | 78.1 Ų | 78.1 | 55% | 0.554 | 50% | 0.504 | S | S | * | . | I | π-helix | trans | -80.6 | -42.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | D529 A536 A537 | D529-A533 VanDerWaalsContact O-CB 3.3Å; D529-A533 WeakPolarHBondContact O-CB 3.44Å; D529-A533 PolarHBondContact O-N 3.42Å; A533-A536 PolarHBondContact O-N 2.81Å; A533-A537 WeakPolarHBondContact O-CB 3.46Å; A533-A537 PolarHBondContact O-N 3.02Å |
| 534 | A | 36.6 | Very low | 38.4 | Very low | 56 Ų | 56 | 81.5 Ų | 81.5 | 46% | 0.463 | 52% | 0.518 | S | S | . | . | I | π-helix | trans | -80.1 | -25.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A530 A537 A538 | A530-A534 CarbonylContact O-C 3.58Å; A530-A534 WeakPolarHBondContact O-CA 3.48Å; A530-A534 WeakPolarHBondContact O-CB 3.45Å; A530-A534 PolarHBondContact O-N 3.12Å; A534-A537 PolarHBondContact O-N 3.09Å; A534-A538 WeakPolarHBondContact O-CB 3.43Å; A534-A538 PolarHBondContact O-N 2.94Å |
| 535 | A | 37.8 | Very low | 37.8 | Very low | 44 Ų | 44 | 81.6 Ų | 81.6 | 36% | 0.364 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -70.5 | -37.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A530 T531 A537 A539 | A530-A535 PolarHBondContact O-N 3.31Å; T531-A535 WeakPolarHBondContact O-CB 3.47Å; A535-A537 VanDerWaalsContact C-N 3.33Å; A535-A539 WeakPolarHBondContact O-CB 3.48Å; A535-A539 PolarHBondContact O-N 2.75Å |
| 536 | A | 38.4 | Very low | 37.4 | Very low | 62 Ų | 62 | 80.3 Ų | 80.3 | 51% | 0.512 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.7 | -36.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A532 A533 A540 | A532-A536 WeakPolarHBondContact O-CB 3.5Å; A532-A536 PolarHBondContact O-N 3.16Å; A533-A536 PolarHBondContact O-N 2.81Å; A536-A540 VanDerWaalsContact O-CB 3.23Å; A536-A540 WeakPolarHBondContact O-CB 3.43Å; A536-A540 PolarHBondContact O-N 3.41Å |
| 537 | A | 36.3 | Very low | 37.9 | Very low | 61 Ų | 61 | 75.6 Ų | 75.6 | 50% | 0.504 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -75.9 | -34.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A533 A534 A535 A540 A541 | A533-A537 WeakPolarHBondContact O-CB 3.46Å; A533-A537 PolarHBondContact O-N 3.02Å; A534-A537 PolarHBondContact O-N 3.09Å; A535-A537 VanDerWaalsContact C-N 3.33Å; A537-A540 CarbonylContact O-C 3.57Å; A537-A540 VanDerWaalsContact O-C 3.22Å; A537-A540 WeakPolarHBondContact O-CA 3.49Å; A537-A540 WeakPolarHBondContact O-CB 3.25Å; A537-A540 PolarHBondContact O-N 2.76Å; A537-A541 PolarHBondContact O-N 2.86Å; A537-A541 VanDerWaalsContact O-N 3.17Å |
| 538 | A | 37 | Very low | 39.1 | Very low | 61 Ų | 61 | 69.7 Ų | 69.7 | 50% | 0.504 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -78.1 | -35 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | A534 A540 A541 | A534-A538 WeakPolarHBondContact O-CB 3.43Å; A534-A538 PolarHBondContact O-N 2.94Å; A538-A540 PolarHBondContact O-N 2.82Å; A538-A541 CarbonylContact O-C 3.6Å; A538-A541 WeakPolarHBondContact O-CA 3.33Å; A538-A541 PolarHBondContact O-N 2.76Å |
| 539 | A | 38.3 | Very low | 40.1 | Very low | 73 Ų | 73 | 72.7 Ų | 72.7 | 60% | 0.603 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65 | -22.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A535 A541 | A535-A539 WeakPolarHBondContact O-CB 3.48Å; A535-A539 PolarHBondContact O-N 2.75Å; A539-A541 VanDerWaalsContact C-N 3.29Å |
| 540 | A | 35.5 | Very low | 41.4 | Very low | 46 Ų | 46 | 71.5 Ų | 71.5 | 38% | 0.38 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 8.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | A536 A537 A538 S543 | A536-A540 VanDerWaalsContact O-CB 3.23Å; A536-A540 WeakPolarHBondContact O-CB 3.43Å; A536-A540 PolarHBondContact O-N 3.41Å; A537-A540 CarbonylContact O-C 3.57Å; A537-A540 VanDerWaalsContact O-C 3.22Å; A537-A540 WeakPolarHBondContact O-CA 3.49Å; A537-A540 WeakPolarHBondContact O-CB 3.25Å; A537-A540 PolarHBondContact O-N 2.76Å; A538-A540 PolarHBondContact O-N 2.82Å; A540-S543 WeakPolarHBondContact O-CB 3.46Å; A540-S543 PolarHBondContact O-N 2.69Å; A540-S543 PolarHBondContact O-OG 3.28Å |
| 541 | A | 28.8 | Very low | 43.3 | Very low | 78 Ų | 78 | 73.1 Ų | 73.1 | 65% | 0.645 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.5 | 60.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | A537 A538 A539 | A537-A541 PolarHBondContact O-N 2.86Å; A537-A541 VanDerWaalsContact O-N 3.17Å; A538-A541 CarbonylContact O-C 3.6Å; A538-A541 WeakPolarHBondContact O-CA 3.33Å; A538-A541 PolarHBondContact O-N 2.76Å; A539-A541 VanDerWaalsContact C-N 3.29Å |
| 542 | P | 39.5 | Very low | 45 | Very low | 67 Ų | 67 | 74 Ų | 74 | 44% | 0.435 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | -124.2 | 75.3 | 64 | 35.9 | -25.5 | 0 | 0 | 0 | 114.7 | Q544 D545 V546 | P542-Q544 PolarHBondContact O-N 2.69Å; P542-D545 HydrophobicContact CB-CB 4.42Å; P542-D545 PolarHBondContact O-N 3.37Å; P542-V546 HydrophobicContact CG-CG2 4.04Å; P542-V546 VanDerWaalsContact O-CB 3.31Å; P542-V546 WeakPolarHBondContact O-CB 3.47Å; P542-V546 WeakPolarHBondContact O-CG2 3.42Å; P542-V546 PolarHBondContact O-N 3.49Å | |
| 543 | S | 38.2 | Very low | 46.7 | Very low | 61 Ų | 61 | 75.1 Ų | 75.1 | 43% | 0.427 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60 | -33.3 | 173.1 | 51.8 | 0 | 0 | 0 | 0 | 112.8 | A540 S547 | A540-S543 WeakPolarHBondContact O-CB 3.46Å; A540-S543 PolarHBondContact O-N 2.69Å; A540-S543 PolarHBondContact O-OG 3.28Å; S543-S547 WeakPolarHBondContact O-CA 3.31Å; S543-S547 WeakPolarHBondContact O-CB 3.37Å; S543-S547 PolarHBondContact O-N 3.29Å |
| 544 | Q | 42.9 | Very low | 48.7 | Very low | 167 Ų | 167 | 78.2 Ų | 78.2 | 78% | 0.78 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -73.7 | -36.5 | -174.7 | -151.6 | 166 | 13.3 | 0 | 0 | 111.8 | P542 S548 | P542-Q544 PolarHBondContact O-N 2.69Å; Q544-S548 WeakPolarHBondContact O-CB 3.18Å; Q544-S548 PolarHBondContact O-N 3.07Å; Q544-S548 PolarHBondContact O-OG 3.42Å |
| 545 | D | 39 | Very low | 50.7 | Low | 118 Ų | 118 | 78 Ų | 78 | 63% | 0.631 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -85.2 | -29.7 | 174.9 | -67.2 | -39.7 | 0 | 0 | 0 | 113.4 | P542 S548 L549 | P542-D545 HydrophobicContact CB-CB 4.42Å; P542-D545 PolarHBondContact O-N 3.37Å; D545-S548 WeakPolarHBondContact CA-OG 3.4Å; D545-S548 PolarHBondContact O-OG 3.45Å; D545-S548 VanDerWaalsContact O-OG 3.12Å; D545-L549 WeakPolarHBondContact O-CB 3.27Å; D545-L549 PolarHBondContact O-N 3.18Å |
| 546 | V | 42.6 | Very low | 52.6 | Low | 67 Ų | 67 | 81.7 Ų | 81.7 | 41% | 0.406 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -78.7 | -32.9 | 173.7 | 175.3 | 0 | 0 | 0 | 0 | 111.4 | P542 L550 | P542-V546 HydrophobicContact CG-CG2 4.04Å; P542-V546 VanDerWaalsContact O-CB 3.31Å; P542-V546 WeakPolarHBondContact O-CB 3.47Å; P542-V546 WeakPolarHBondContact O-CG2 3.42Å; P542-V546 PolarHBondContact O-N 3.49Å; V546-L550 HydrophobicContact CG1-CD1 4Å; V546-L550 HydrophobicContact CG1-CG 4.44Å; V546-L550 VanDerWaalsContact O-CB 3.24Å; V546-L550 WeakPolarHBondContact O-CB 3.42Å; V546-L550 WeakPolarHBondContact O-CG 3.3Å; V546-L550 PolarHBondContact O-N 3.38Å |
| 547 | S | 49.6 | Very low | 54.5 | Low | 51 Ų | 51 | 83.2 Ų | 83.2 | 36% | 0.357 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.9 | -43.3 | 167.3 | -159.5 | 0 | 0 | 0 | 0 | 110.4 | S543 L549 L550 D551 | S543-S547 WeakPolarHBondContact O-CA 3.31Å; S543-S547 WeakPolarHBondContact O-CB 3.37Å; S543-S547 PolarHBondContact O-N 3.29Å; S547-L549 VanDerWaalsContact C-N 3.27Å; S547-L549 PolarHBondContact O-N 2.87Å; S547-L550 CarbonylContact O-C 3.52Å; S547-L550 PolarHBondContact O-N 3.06Å; S547-D551 WeakPolarHBondContact O-CB 3.32Å; S547-D551 PolarHBondContact O-N 2.93Å; S547-D551 PolarHBondContact OG-OD2 2.78Å |
| 548 | S | 62.2 | Low | 56.7 | Low | 56 Ų | 56 | 85.3 Ų | 85.3 | 39% | 0.392 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.2 | -37.6 | 175.4 | 76.3 | 0 | 0 | 0 | 0 | 111.6 | Q544 D545 D551 D552 | Q544-S548 WeakPolarHBondContact O-CB 3.18Å; Q544-S548 PolarHBondContact O-N 3.07Å; Q544-S548 PolarHBondContact O-OG 3.42Å; D545-S548 WeakPolarHBondContact CA-OG 3.4Å; D545-S548 PolarHBondContact O-OG 3.45Å; D545-S548 VanDerWaalsContact O-OG 3.12Å; S548-D551 PolarHBondContact O-N 2.91Å; S548-D552 VanDerWaalsContact O-CB 3.24Å; S548-D552 WeakPolarHBondContact O-CB 3.47Å; S548-D552 PolarHBondContact O-N 2.99Å |
| 549 | L | 59.9 | Low | 58.8 | Low | 105 Ų | 105 | 87.7 Ų | 87.7 | 55% | 0.55 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.6 | -39.6 | 173.6 | -166.3 | 72.8 | 0 | 0 | 0 | 112.7 | D545 S547 I553 | D545-L549 WeakPolarHBondContact O-CB 3.27Å; D545-L549 PolarHBondContact O-N 3.18Å; S547-L549 VanDerWaalsContact C-N 3.27Å; S547-L549 PolarHBondContact O-N 2.87Å; L549-I553 HydrophobicContact CG-CD1 4.21Å; L549-I553 WeakPolarHBondContact O-CB 3.29Å; L549-I553 WeakPolarHBondContact O-CD1 3.34Å; L549-I553 WeakPolarHBondContact O-CG1 3.41Å; L549-I553 PolarHBondContact O-N 3.3Å |
| 550 | L | 65.6 | Low | 60.6 | Low | 86 Ų | 86 | 88.2 Ų | 88.2 | 45% | 0.45 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71.6 | -29.1 | 175.2 | -77 | 169.7 | 0 | 0 | 0 | 112.9 | V546 S547 R554 | V546-L550 HydrophobicContact CG1-CD1 4Å; V546-L550 HydrophobicContact CG1-CG 4.44Å; V546-L550 VanDerWaalsContact O-CB 3.24Å; V546-L550 WeakPolarHBondContact O-CB 3.42Å; V546-L550 WeakPolarHBondContact O-CG 3.3Å; V546-L550 PolarHBondContact O-N 3.38Å; S547-L550 CarbonylContact O-C 3.52Å; S547-L550 PolarHBondContact O-N 3.06Å; L550-R554 WeakPolarHBondContact O-CB 3.31Å; L550-R554 VanDerWaalsContact O-CG 3.3Å; L550-R554 WeakPolarHBondContact O-CG 3.49Å; L550-R554 PolarHBondContact O-N 2.86Å |
| 551 | D | 73.1 | Confident | 62.6 | Low | 71 Ų | 71 | 88.2 Ų | 88.2 | 38% | 0.38 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -82.2 | -33.1 | 175.9 | -68.9 | -42.5 | 0 | 0 | 0 | 111.3 | S547 S548 R554 A555 | S547-D551 WeakPolarHBondContact O-CB 3.32Å; S547-D551 PolarHBondContact O-N 2.93Å; S547-D551 PolarHBondContact OG-OD2 2.78Å; S548-D551 PolarHBondContact O-N 2.91Å; D551-R554 PolarHBondContact O-N 2.79Å; D551-R554 IonicContact OD1-CZ 2.71Å; D551-R554 VanDerWaalsContact OD1-CZ 3.26Å; D551-R554 IonicContact OD1-NE 3.3Å; D551-R554 PolarHBondContact OD1-NE 3.36Å; D551-R554 IonicContact OD1-NH2 3.43Å; D551-R554 PolarHBondContact OD1-NH2 3.46Å; D551-R554 IonicContact OD2-NH2 2.69Å; D551-A555 WeakPolarHBondContact O-CB 3.41Å; D551-A555 PolarHBondContact O-N 3.23Å |
| 552 | D | 71.3 | Confident | 65.1 | Low | 100 Ų | 100 | 91.5 Ų | 91.5 | 54% | 0.535 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65 | -42.9 | 164.1 | -97.9 | 3.3 | 0 | 0 | 0 | 110.6 | S548 A555 K556 | S548-D552 VanDerWaalsContact O-CB 3.24Å; S548-D552 WeakPolarHBondContact O-CB 3.47Å; S548-D552 PolarHBondContact O-N 2.99Å; D552-A555 CarbonylContact O-C 3.55Å; D552-A555 PolarHBondContact O-N 2.89Å; D552-K556 VanDerWaalsContact O-CB 3.29Å; D552-K556 WeakPolarHBondContact O-CB 3.49Å; D552-K556 WeakPolarHBondContact O-CG 3.48Å; D552-K556 PolarHBondContact O-N 3.32Å |
| 553 | I | 71.7 | Confident | 66.9 | Low | 80 Ų | 80 | 92.4 Ų | 92.4 | 41% | 0.41 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 173.8 | -73.4 | 163 | 0 | 0 | 0 | 110 | L549 A555 K556 D557 | L549-I553 HydrophobicContact CG-CD1 4.21Å; L549-I553 WeakPolarHBondContact O-CB 3.29Å; L549-I553 WeakPolarHBondContact O-CD1 3.34Å; L549-I553 WeakPolarHBondContact O-CG1 3.41Å; L549-I553 PolarHBondContact O-N 3.3Å; I553-A555 VanDerWaalsContact C-N 3.31Å; I553-A555 PolarHBondContact O-N 2.78Å; I553-K556 WeakPolarHBondContact O-CB 3.39Å; I553-K556 PolarHBondContact O-N 3.37Å; I553-D557 WeakPolarHBondContact O-CB 3.38Å; I553-D557 PolarHBondContact O-N 3.13Å |
| 554 | R | 77.5 | Confident | 68.8 | Low | 132 Ų | 132 | 95 Ų | 95 | 50% | 0.498 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.4 | -35.7 | 174.2 | -78.5 | -173.5 | -77.1 | -126.9 | 3 | 112.7 | L550 D551 Q558 | L550-R554 WeakPolarHBondContact O-CB 3.31Å; L550-R554 VanDerWaalsContact O-CG 3.3Å; L550-R554 WeakPolarHBondContact O-CG 3.49Å; L550-R554 PolarHBondContact O-N 2.86Å; D551-R554 PolarHBondContact O-N 2.79Å; D551-R554 IonicContact OD1-CZ 2.71Å; D551-R554 VanDerWaalsContact OD1-CZ 3.26Å; D551-R554 IonicContact OD1-NE 3.3Å; D551-R554 PolarHBondContact OD1-NE 3.36Å; D551-R554 IonicContact OD1-NH2 3.43Å; D551-R554 PolarHBondContact OD1-NH2 3.46Å; D551-R554 IonicContact OD2-NH2 2.69Å; R554-Q558 WeakPolarHBondContact O-CB 3.41Å; R554-Q558 VanDerWaalsContact O-CG 3.26Å; R554-Q558 WeakPolarHBondContact O-CG 3.48Å; R554-Q558 PolarHBondContact O-N 2.8Å |
| 555 | A | 79.1 | Confident | 70.5 | Confident | 52 Ų | 52 | 93.6 Ų | 93.6 | 43% | 0.43 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.7 | -37.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D551 D552 I553 Q559 | D551-A555 WeakPolarHBondContact O-CB 3.41Å; D551-A555 PolarHBondContact O-N 3.23Å; D552-A555 CarbonylContact O-C 3.55Å; D552-A555 PolarHBondContact O-N 2.89Å; I553-A555 VanDerWaalsContact C-N 3.31Å; I553-A555 PolarHBondContact O-N 2.78Å; A555-Q559 WeakPolarHBondContact O-CB 3.21Å; A555-Q559 PolarHBondContact O-N 2.73Å |
| 556 | K | 78.4 | Confident | 72.4 | Confident | 122 Ų | 122 | 92.1 Ų | 92.1 | 53% | 0.53 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.4 | -44 | 173.3 | -67.2 | -93.8 | -178.2 | 171.9 | 0 | 110.9 | D552 I553 Q559 I560 | D552-K556 VanDerWaalsContact O-CB 3.29Å; D552-K556 WeakPolarHBondContact O-CB 3.49Å; D552-K556 WeakPolarHBondContact O-CG 3.48Å; D552-K556 PolarHBondContact O-N 3.32Å; I553-K556 WeakPolarHBondContact O-CB 3.39Å; I553-K556 PolarHBondContact O-N 3.37Å; K556-Q559 CarbonylContact O-C 3.39Å; K556-Q559 WeakPolarHBondContact O-CB 3.44Å; K556-Q559 PolarHBondContact O-N 2.92Å; K556-Q559 VanDerWaalsContact O-N 3.16Å; K556-I560 WeakPolarHBondContact O-CB 3.14Å; K556-I560 VanDerWaalsContact O-CG1 3.22Å; K556-I560 WeakPolarHBondContact O-CG1 3.17Å; K556-I560 PolarHBondContact O-N 2.87Å |
| 557 | D | 78.9 | Confident | 74 | Confident | 93 Ų | 93 | 91.3 Ų | 91.3 | 50% | 0.497 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.3 | -41.4 | 176.5 | -73.5 | -19.6 | 0 | 0 | 0 | 111.2 | I553 Q559 I560 A561 | I553-D557 WeakPolarHBondContact O-CB 3.38Å; I553-D557 PolarHBondContact O-N 3.13Å; D557-Q559 VanDerWaalsContact C-N 3.32Å; D557-Q559 PolarHBondContact O-N 3.33Å; D557-I560 PolarHBondContact O-N 2.86Å; D557-A561 WeakPolarHBondContact O-CB 3.21Å; D557-A561 PolarHBondContact O-N 2.8Å |
| 558 | Q | 81.7 | Confident | 75.4 | Confident | 105 Ų | 105 | 93.6 Ų | 93.6 | 49% | 0.491 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.6 | -35.1 | 170.2 | -75.2 | -178.8 | 35.9 | 0 | 0 | 112.4 | R554 R562 | R554-Q558 WeakPolarHBondContact O-CB 3.41Å; R554-Q558 VanDerWaalsContact O-CG 3.26Å; R554-Q558 WeakPolarHBondContact O-CG 3.48Å; R554-Q558 PolarHBondContact O-N 2.8Å; Q558-R562 WeakPolarHBondContact O-CB 3.32Å; Q558-R562 VanDerWaalsContact O-CG 3.24Å; Q558-R562 WeakPolarHBondContact O-CG 3.37Å; Q558-R562 PolarHBondContact O-N 2.75Å |
| 559 | Q | 81.2 | Confident | 76.4 | Confident | 111 Ų | 111 | 96.4 Ų | 96.4 | 52% | 0.519 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.5 | -39.8 | 174.9 | -173.3 | 178.2 | 25.8 | 0 | 0 | 111.2 | A555 K556 D557 R562 L563 | A555-Q559 WeakPolarHBondContact O-CB 3.21Å; A555-Q559 PolarHBondContact O-N 2.73Å; K556-Q559 CarbonylContact O-C 3.39Å; K556-Q559 WeakPolarHBondContact O-CB 3.44Å; K556-Q559 PolarHBondContact O-N 2.92Å; K556-Q559 VanDerWaalsContact O-N 3.16Å; D557-Q559 VanDerWaalsContact C-N 3.32Å; D557-Q559 PolarHBondContact O-N 3.33Å; Q559-R562 PolarHBondContact O-N 3.2Å; Q559-L563 HydrophobicContact CG-CD1 4.04Å; Q559-L563 HydrophobicContact CG-CG 4.48Å; Q559-L563 VanDerWaalsContact O-CB 3.29Å; Q559-L563 WeakPolarHBondContact O-CB 3.45Å; Q559-L563 WeakPolarHBondContact O-CG 3.46Å; Q559-L563 PolarHBondContact O-N 3.45Å |
| 560 | I | 76.5 | Confident | 77.4 | Confident | 84 Ų | 84 | 98.1 Ų | 98.1 | 43% | 0.431 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.9 | -44.5 | 174.9 | -71.4 | 162.2 | 0 | 0 | 0 | 109.9 | K556 D557 L563 Q564 | K556-I560 WeakPolarHBondContact O-CB 3.14Å; K556-I560 VanDerWaalsContact O-CG1 3.22Å; K556-I560 WeakPolarHBondContact O-CG1 3.17Å; K556-I560 PolarHBondContact O-N 2.87Å; D557-I560 PolarHBondContact O-N 2.86Å; I560-L563 CarbonylContact O-C 3.56Å; I560-L563 PolarHBondContact O-N 3.45Å; I560-Q564 HydrophobicContact CG2-CG 4.48Å; I560-Q564 WeakPolarHBondContact O-CB 3.3Å; I560-Q564 VanDerWaalsContact O-CG 3.31Å; I560-Q564 WeakPolarHBondContact O-CG 3.35Å; I560-Q564 PolarHBondContact O-N 3.08Å |
| 561 | A | 77.4 | Confident | 78 | Confident | 46 Ų | 46 | 100.1 Ų | 100.1 | 38% | 0.38 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.9 | -46.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | D557 L563 Q564 E565 | D557-A561 WeakPolarHBondContact O-CB 3.21Å; D557-A561 PolarHBondContact O-N 2.8Å; A561-L563 PolarHBondContact O-N 3.3Å; A561-Q564 PolarHBondContact O-N 3.47Å; A561-E565 PolarHBondContact O-N 2.66Å |
| 562 | R | 80.8 | Confident | 78.4 | Confident | 147 Ų | 147 | 103.5 Ų | 103.5 | 56% | 0.555 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.9 | -37.8 | 174.4 | -72.6 | 174.4 | -161.9 | 161.7 | 12.3 | 112.7 | Q558 Q559 Q564 E565 E566 | Q558-R562 WeakPolarHBondContact O-CB 3.32Å; Q558-R562 VanDerWaalsContact O-CG 3.24Å; Q558-R562 WeakPolarHBondContact O-CG 3.37Å; Q558-R562 PolarHBondContact O-N 2.75Å; Q559-R562 PolarHBondContact O-N 3.2Å; R562-Q564 VanDerWaalsContact C-N 3.34Å; R562-E565 PolarHBondContact O-N 2.86Å; R562-E566 WeakPolarHBondContact O-CB 3.23Å; R562-E566 WeakPolarHBondContact O-CG 3.31Å; R562-E566 PolarHBondContact O-N 2.78Å |
| 563 | L | 78.2 | Confident | 78.9 | Confident | 86 Ų | 86 | 102.6 Ų | 102.6 | 45% | 0.45 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70 | -30.9 | 175.5 | -75.4 | 169.6 | 0 | 0 | 0 | 112 | Q559 I560 A561 A567 | Q559-L563 HydrophobicContact CG-CD1 4.04Å; Q559-L563 HydrophobicContact CG-CG 4.48Å; Q559-L563 VanDerWaalsContact O-CB 3.29Å; Q559-L563 WeakPolarHBondContact O-CB 3.45Å; Q559-L563 WeakPolarHBondContact O-CG 3.46Å; Q559-L563 PolarHBondContact O-N 3.45Å; I560-L563 CarbonylContact O-C 3.56Å; I560-L563 PolarHBondContact O-N 3.45Å; A561-L563 PolarHBondContact O-N 3.3Å; L563-A567 WeakPolarHBondContact O-CB 3.28Å; L563-A567 PolarHBondContact O-N 3.47Å |
| 564 | Q | 77.6 | Confident | 79.2 | Confident | 115 Ų | 115 | 104.2 Ų | 104.2 | 54% | 0.537 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.6 | -41.8 | 171.6 | -74.8 | 176.5 | -1.4 | 0 | 0 | 111.6 | I560 A561 R562 A567 Q568 | I560-Q564 HydrophobicContact CG2-CG 4.48Å; I560-Q564 WeakPolarHBondContact O-CB 3.3Å; I560-Q564 VanDerWaalsContact O-CG 3.31Å; I560-Q564 WeakPolarHBondContact O-CG 3.35Å; I560-Q564 PolarHBondContact O-N 3.08Å; A561-Q564 PolarHBondContact O-N 3.47Å; R562-Q564 VanDerWaalsContact C-N 3.34Å; Q564-A567 PolarHBondContact O-N 3.28Å; Q564-Q568 WeakPolarHBondContact O-CG 3.38Å; Q564-Q568 PolarHBondContact O-N 3.45Å |
| 565 | E | 78.6 | Confident | 79.5 | Confident | 139 Ų | 139 | 103.1 Ų | 103.1 | 65% | 0.65 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.3 | -47.5 | 170.1 | -75.8 | -168.8 | 127.1 | 0 | 0 | 111 | A561 R562 A567 Q568 Q569 | A561-E565 PolarHBondContact O-N 2.66Å; R562-E565 PolarHBondContact O-N 2.86Å; E565-A567 VanDerWaalsContact C-N 3.3Å; E565-A567 PolarHBondContact O-N 3.17Å; E565-Q568 PolarHBondContact O-N 3.37Å; E565-Q569 WeakPolarHBondContact O-CB 3.17Å; E565-Q569 PolarHBondContact O-N 2.89Å |
| 566 | E | 79.5 | Confident | 79.6 | Confident | 86 Ų | 86 | 106.1 Ų | 106.1 | 40% | 0.402 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.1 | -37.7 | 174.3 | -79.3 | -172.5 | -166.3 | 0 | 0 | 112.4 | R562 R570 | R562-E566 WeakPolarHBondContact O-CB 3.23Å; R562-E566 WeakPolarHBondContact O-CG 3.31Å; R562-E566 PolarHBondContact O-N 2.78Å; E566-R570 VanDerWaalsContact O-CB 3.27Å; E566-R570 WeakPolarHBondContact O-CB 3.47Å; E566-R570 WeakPolarHBondContact O-CG 3.2Å; E566-R570 PolarHBondContact O-N 3.46Å; E566-R570 IonicContact OE2-CZ 3.57Å; E566-R570 IonicContact OE2-NH1 2.65Å; E566-R570 PolarHBondContact OE2-NH1 3.34Å; E566-R570 IonicContact OE2-NH2 3.7Å; E566-R570 PolarHBondContact OE2-NH2 3.22Å |
| 567 | A | 74.8 | Confident | 79.7 | Confident | 51 Ų | 51 | 103.1 Ų | 103.1 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.4 | -48.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L563 Q564 E565 Q569 R570 E571 | L563-A567 WeakPolarHBondContact O-CB 3.28Å; L563-A567 PolarHBondContact O-N 3.47Å; Q564-A567 PolarHBondContact O-N 3.28Å; E565-A567 VanDerWaalsContact C-N 3.3Å; E565-A567 PolarHBondContact O-N 3.17Å; A567-Q569 VanDerWaalsContact C-N 3.31Å; A567-Q569 PolarHBondContact O-N 2.89Å; A567-R570 PolarHBondContact O-N 3.42Å; A567-E571 VanDerWaalsContact O-CB 3.31Å; A567-E571 WeakPolarHBondContact O-CB 3.35Å; A567-E571 PolarHBondContact O-N 3.08Å |
| 568 | Q | 79.6 | Confident | 79.8 | Confident | 98 Ų | 98 | 102.1 Ų | 102.1 | 46% | 0.458 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.1 | -35.8 | 175.5 | -70.2 | -179.4 | 21.7 | 0 | 0 | 112.2 | Q564 E565 E571 R572 | Q564-Q568 WeakPolarHBondContact O-CG 3.38Å; Q564-Q568 PolarHBondContact O-N 3.45Å; E565-Q568 PolarHBondContact O-N 3.37Å; Q568-E571 PolarHBondContact O-N 2.85Å; Q568-R572 WeakPolarHBondContact O-CB 3.41Å; Q568-R572 VanDerWaalsContact O-CG 3.28Å; Q568-R572 WeakPolarHBondContact O-CG 3.3Å; Q568-R572 PolarHBondContact O-N 2.96Å |
| 569 | Q | 82.1 | Confident | 79.8 | Confident | 115 Ų | 115 | 100.3 Ų | 100.3 | 54% | 0.537 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.5 | -42.8 | 176.3 | -163.1 | 78.2 | -13.6 | 0 | 0 | 110.8 | E565 A567 T573 | E565-Q569 WeakPolarHBondContact O-CB 3.17Å; E565-Q569 PolarHBondContact O-N 2.89Å; A567-Q569 VanDerWaalsContact C-N 3.31Å; A567-Q569 PolarHBondContact O-N 2.89Å; Q569-T573 WeakPolarHBondContact O-CB 3.36Å; Q569-T573 PolarHBondContact O-N 3.28Å; Q569-T573 PolarHBondContact O-OG1 3.04Å |
| 570 | R | 82.2 | Confident | 80 | Confident | 142 Ų | 142 | 101.8 Ų | 101.8 | 54% | 0.536 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 172.5 | -76.1 | 171.2 | -175.6 | 121.9 | 12.1 | 111.6 | E566 A567 T573 L574 | E566-R570 VanDerWaalsContact O-CB 3.27Å; E566-R570 WeakPolarHBondContact O-CB 3.47Å; E566-R570 WeakPolarHBondContact O-CG 3.2Å; E566-R570 PolarHBondContact O-N 3.46Å; E566-R570 IonicContact OE2-CZ 3.57Å; E566-R570 IonicContact OE2-NH1 2.65Å; E566-R570 PolarHBondContact OE2-NH1 3.34Å; E566-R570 IonicContact OE2-NH2 3.7Å; E566-R570 PolarHBondContact OE2-NH2 3.22Å; A567-R570 PolarHBondContact O-N 3.42Å; R570-T573 PolarHBondContact O-N 2.98Å; R570-L574 WeakPolarHBondContact O-CB 3.41Å; R570-L574 VanDerWaalsContact O-CG 3.29Å; R570-L574 WeakPolarHBondContact O-CG 3.41Å; R570-L574 PolarHBondContact O-N 2.71Å |
| 571 | E | 78.4 | Confident | 80.3 | Confident | 127 Ų | 127 | 102.4 Ų | 102.4 | 59% | 0.593 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.2 | -46.6 | 177.5 | -175 | 173.1 | -146.2 | 0 | 0 | 111.5 | A567 Q568 L574 L575 | A567-E571 VanDerWaalsContact O-CB 3.31Å; A567-E571 WeakPolarHBondContact O-CB 3.35Å; A567-E571 PolarHBondContact O-N 3.08Å; Q568-E571 PolarHBondContact O-N 2.85Å; E571-L574 PolarHBondContact O-N 3.45Å; E571-L575 WeakPolarHBondContact O-CB 3.35Å; E571-L575 PolarHBondContact O-N 3.08Å |
| 572 | R | 80.8 | Confident | 80.5 | Confident | 143 Ų | 143 | 104.4 Ų | 104.4 | 54% | 0.54 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.8 | -46.9 | 171.3 | -73.6 | 173.3 | -172.8 | 156.2 | 6.5 | 111.9 | Q568 L574 L575 D576 | Q568-R572 WeakPolarHBondContact O-CB 3.41Å; Q568-R572 VanDerWaalsContact O-CG 3.28Å; Q568-R572 WeakPolarHBondContact O-CG 3.3Å; Q568-R572 PolarHBondContact O-N 2.96Å; R572-L574 VanDerWaalsContact C-N 3.28Å; R572-L574 PolarHBondContact O-N 2.92Å; R572-L575 WeakPolarHBondContact O-CB 3.42Å; R572-L575 PolarHBondContact O-N 3.32Å; R572-L575 VanDerWaalsContact O-N 3.08Å; R572-D576 PolarHBondContact O-N 2.92Å |
| 573 | T | 81.4 | Confident | 80.6 | Confident | 81 Ų | 81 | 100.1 Ų | 100.1 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.3 | -38.1 | 178.4 | -51.5 | 0 | 0 | 0 | 0 | 111.3 | Q569 R570 E577 | Q569-T573 WeakPolarHBondContact O-CB 3.36Å; Q569-T573 PolarHBondContact O-N 3.28Å; Q569-T573 PolarHBondContact O-OG1 3.04Å; R570-T573 PolarHBondContact O-N 2.98Å; T573-E577 WeakPolarHBondContact O-CB 3.19Å; T573-E577 PolarHBondContact O-N 2.81Å |
| 574 | L | 79.2 | Confident | 80.9 | Confident | 113 Ų | 113 | 99.5 Ų | 99.5 | 59% | 0.592 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -69.8 | -35 | 174.2 | -75.1 | 167.6 | 0 | 0 | 0 | 112.4 | R570 E571 R572 T578 | R570-L574 WeakPolarHBondContact O-CB 3.41Å; R570-L574 VanDerWaalsContact O-CG 3.29Å; R570-L574 WeakPolarHBondContact O-CG 3.41Å; R570-L574 PolarHBondContact O-N 2.71Å; E571-L574 PolarHBondContact O-N 3.45Å; R572-L574 VanDerWaalsContact C-N 3.28Å; R572-L574 PolarHBondContact O-N 2.92Å; L574-T578 WeakPolarHBondContact O-CB 3.29Å; L574-T578 PolarHBondContact O-N 3.23Å; L574-T578 PolarHBondContact O-OG1 3.11Å |
| 575 | L | 82.8 | Confident | 81.2 | Confident | 110 Ų | 110 | 97.5 Ų | 97.5 | 58% | 0.576 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.7 | -44.4 | 174.3 | -114.5 | 160 | 0 | 0 | 0 | 111.7 | E571 R572 S579 | E571-L575 WeakPolarHBondContact O-CB 3.35Å; E571-L575 PolarHBondContact O-N 3.08Å; R572-L575 WeakPolarHBondContact O-CB 3.42Å; R572-L575 PolarHBondContact O-N 3.32Å; R572-L575 VanDerWaalsContact O-N 3.08Å; L575-S579 VanDerWaalsContact O-CB 3.31Å; L575-S579 WeakPolarHBondContact O-CB 3.28Å; L575-S579 PolarHBondContact O-N 3Å; L575-S579 PolarHBondContact O-OG 3.38Å |
| 576 | D | 81.5 | Confident | 81.4 | Confident | 114 Ų | 114 | 97 Ų | 97 | 61% | 0.61 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.4 | -44.6 | 175.2 | -70.1 | -26.3 | 0 | 0 | 0 | 111.2 | R572 S579 R580 | R572-D576 PolarHBondContact O-N 2.92Å; D576-S579 PolarHBondContact O-N 3.48Å; D576-R580 WeakPolarHBondContact O-CB 3.48Å; D576-R580 PolarHBondContact O-N 3.04Å |
| 577 | E | 79.8 | Confident | 81.7 | Confident | 59 Ų | 59 | 97 Ų | 97 | 28% | 0.276 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 176 | -176.9 | 62.2 | -134.8 | 0 | 0 | 111.5 | T573 S579 R580 Q581 | T573-E577 WeakPolarHBondContact O-CB 3.19Å; T573-E577 PolarHBondContact O-N 2.81Å; E577-S579 VanDerWaalsContact C-N 3.34Å; E577-R580 PolarHBondContact O-N 3.44Å; E577-R580 IonicContact OE1-CZ 2.64Å; E577-R580 IonicContact OE1-NE 2.68Å; E577-R580 IonicContact OE1-NH2 3.19Å; E577-R580 PolarHBondContact OE1-NH2 3.42Å; E577-R580 IonicContact OE2-CZ 2.67Å; E577-R580 IonicContact OE2-NE 3.16Å; E577-R580 IonicContact OE2-NH2 3.17Å; E577-R580 PolarHBondContact OE2-NH2 3.02Å; E577-Q581 WeakPolarHBondContact O-CB 3.45Å; E577-Q581 VanDerWaalsContact O-CG 3.28Å; E577-Q581 WeakPolarHBondContact O-CG 3.44Å; E577-Q581 PolarHBondContact O-N 3.11Å; E577-Q581 PolarHBondContact OE1-NE2 3.24Å |
| 578 | T | 82 | Confident | 82 | Confident | 72 Ų | 72 | 98.9 Ų | 98.9 | 44% | 0.442 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.3 | -38.6 | 174.5 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | L574 Q581 N582 | L574-T578 WeakPolarHBondContact O-CB 3.29Å; L574-T578 PolarHBondContact O-N 3.23Å; L574-T578 PolarHBondContact O-OG1 3.11Å; T578-Q581 PolarHBondContact O-N 3.14Å; T578-N582 WeakPolarHBondContact O-CB 3.13Å; T578-N582 VanDerWaalsContact O-CG 3.32Å; T578-N582 PolarHBondContact O-N 2.97Å; T578-N582 PolarHBondContact O-ND2 2.83Å |
| 579 | S | 80.4 | Confident | 82.2 | Confident | 67 Ų | 67 | 101.1 Ų | 101.1 | 47% | 0.469 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66 | -42.4 | 176.2 | -60.4 | 0 | 0 | 0 | 0 | 111.5 | L575 D576 E577 N582 A583 | L575-S579 VanDerWaalsContact O-CB 3.31Å; L575-S579 WeakPolarHBondContact O-CB 3.28Å; L575-S579 PolarHBondContact O-N 3Å; L575-S579 PolarHBondContact O-OG 3.38Å; D576-S579 PolarHBondContact O-N 3.48Å; E577-S579 VanDerWaalsContact C-N 3.34Å; S579-N582 PolarHBondContact O-N 3.09Å; S579-A583 PolarHBondContact O-N 2.93Å |
| 580 | R | 85.6 | Confident | 82.2 | Confident | 143 Ų | 143 | 98.4 Ų | 98.4 | 54% | 0.54 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.3 | -49.8 | 173 | -174.2 | -179.3 | 71.4 | 168.7 | 2.5 | 111.3 | D576 E577 N582 A583 D584 | D576-R580 WeakPolarHBondContact O-CB 3.48Å; D576-R580 PolarHBondContact O-N 3.04Å; E577-R580 PolarHBondContact O-N 3.44Å; E577-R580 IonicContact OE1-CZ 2.64Å; E577-R580 IonicContact OE1-NE 2.68Å; E577-R580 IonicContact OE1-NH2 3.19Å; E577-R580 PolarHBondContact OE1-NH2 3.42Å; E577-R580 IonicContact OE2-CZ 2.67Å; E577-R580 IonicContact OE2-NE 3.16Å; E577-R580 IonicContact OE2-NH2 3.17Å; E577-R580 PolarHBondContact OE2-NH2 3.02Å; R580-N582 VanDerWaalsContact C-N 3.26Å; R580-N582 PolarHBondContact O-N 2.82Å; R580-A583 PolarHBondContact O-N 3.44Å; R580-A583 VanDerWaalsContact O-N 3.1Å; R580-D584 PolarHBondContact O-N 3.48Å |
| 581 | Q | 82.8 | Confident | 82.4 | Confident | 97 Ų | 97 | 96.9 Ų | 96.9 | 45% | 0.453 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.3 | -32.6 | 178.1 | -73.1 | 178.7 | 20.9 | 0 | 0 | 112.3 | E577 T578 N585 | E577-Q581 WeakPolarHBondContact O-CB 3.45Å; E577-Q581 VanDerWaalsContact O-CG 3.28Å; E577-Q581 WeakPolarHBondContact O-CG 3.44Å; E577-Q581 PolarHBondContact O-N 3.11Å; E577-Q581 PolarHBondContact OE1-NE2 3.24Å; T578-Q581 PolarHBondContact O-N 3.14Å; Q581-N585 WeakPolarHBondContact O-CB 3.48Å; Q581-N585 PolarHBondContact O-N 3.09Å; Q581-N585 PolarHBondContact O-ND2 2.73Å |
| 582 | N | 82 | Confident | 82.6 | Confident | 88 Ų | 88 | 94.1 Ų | 94.1 | 47% | 0.471 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.4 | -44.6 | 171.8 | -79.6 | -35.1 | 0 | 0 | 0 | 112 | T578 S579 R580 N585 E586 | T578-N582 WeakPolarHBondContact O-CB 3.13Å; T578-N582 VanDerWaalsContact O-CG 3.32Å; T578-N582 PolarHBondContact O-N 2.97Å; T578-N582 PolarHBondContact O-ND2 2.83Å; S579-N582 PolarHBondContact O-N 3.09Å; R580-N582 VanDerWaalsContact C-N 3.26Å; R580-N582 PolarHBondContact O-N 2.82Å; N582-N585 PolarHBondContact O-N 3.24Å; N582-E586 PolarHBondContact O-N 3.44Å |
| 583 | A | 82.5 | Confident | 82.7 | Confident | 56 Ų | 56 | 90.7 Ų | 90.7 | 46% | 0.463 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S579 R580 E586 L587 | S579-A583 PolarHBondContact O-N 2.93Å; R580-A583 PolarHBondContact O-N 3.44Å; R580-A583 VanDerWaalsContact O-N 3.1Å; A583-E586 PolarHBondContact O-N 3.13Å; A583-L587 WeakPolarHBondContact O-CB 3.32Å; A583-L587 PolarHBondContact O-N 3.43Å |
| 584 | D | 85 | Confident | 82.7 | Confident | 74 Ų | 74 | 89.1 Ų | 89.1 | 40% | 0.396 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.8 | -38.9 | 174.3 | -76 | -37.3 | 0 | 0 | 0 | 111.5 | R580 L587 L588 | R580-D584 PolarHBondContact O-N 3.48Å; D584-L587 PolarHBondContact O-N 3.41Å; D584-L588 VanDerWaalsContact O-CB 3.27Å; D584-L588 WeakPolarHBondContact O-CB 3.29Å; D584-L588 WeakPolarHBondContact O-CG 3.34Å; D584-L588 PolarHBondContact O-N 2.81Å |
| 585 | N | 83.7 | Confident | 82.9 | Confident | 72 Ų | 72 | 89.4 Ų | 89.4 | 39% | 0.385 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.9 | -36.5 | 173.3 | -86.8 | -64.4 | 0 | 0 | 0 | 112.6 | Q581 N582 L588 R589 | Q581-N585 WeakPolarHBondContact O-CB 3.48Å; Q581-N585 PolarHBondContact O-N 3.09Å; Q581-N585 PolarHBondContact O-ND2 2.73Å; N582-N585 PolarHBondContact O-N 3.24Å; N585-L588 PolarHBondContact O-N 2.86Å; N585-R589 WeakPolarHBondContact O-CB 3.46Å; N585-R589 VanDerWaalsContact O-CG 3.31Å; N585-R589 WeakPolarHBondContact O-CG 3.1Å; N585-R589 PolarHBondContact O-N 3.34Å |
| 586 | E | 83.6 | Confident | 82.8 | Confident | 129 Ų | 129 | 90 Ų | 90 | 60% | 0.603 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -69.3 | -42.1 | 173.2 | -74.9 | -172 | 165.2 | 0 | 0 | 112 | N582 A583 L588 R589 A590 | N582-E586 PolarHBondContact O-N 3.44Å; A583-E586 PolarHBondContact O-N 3.13Å; E586-L588 VanDerWaalsContact C-N 3.31Å; E586-L588 PolarHBondContact O-N 2.91Å; E586-R589 PolarHBondContact O-N 3.44Å; E586-A590 WeakPolarHBondContact O-CB 3.29Å; E586-A590 PolarHBondContact O-N 2.73Å |
| 587 | L | 85 | Confident | 82.8 | Confident | 86 Ų | 86 | 89.5 Ų | 89.5 | 45% | 0.45 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.5 | -39 | 172.7 | -177.4 | 63.9 | 0 | 0 | 0 | 111.7 | A583 D584 A590 K591 | A583-L587 WeakPolarHBondContact O-CB 3.32Å; A583-L587 PolarHBondContact O-N 3.43Å; D584-L587 PolarHBondContact O-N 3.41Å; L587-A590 PolarHBondContact O-N 3.35Å; L587-K591 HydrophobicContact CG-CD 4.36Å; L587-K591 WeakPolarHBondContact O-CB 3.44Å; L587-K591 VanDerWaalsContact O-CG 3.27Å; L587-K591 WeakPolarHBondContact O-CG 3.11Å; L587-K591 PolarHBondContact O-N 3.16Å |
| 588 | L | 82.2 | Confident | 83 | Confident | 91 Ų | 91 | 90.7 Ų | 90.7 | 48% | 0.476 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.8 | -42.4 | 174.4 | -76.6 | 167.6 | 0 | 0 | 0 | 111.8 | D584 N585 E586 A590 K591 V592 | D584-L588 VanDerWaalsContact O-CB 3.27Å; D584-L588 WeakPolarHBondContact O-CB 3.29Å; D584-L588 WeakPolarHBondContact O-CG 3.34Å; D584-L588 PolarHBondContact O-N 2.81Å; N585-L588 PolarHBondContact O-N 2.86Å; E586-L588 VanDerWaalsContact C-N 3.31Å; E586-L588 PolarHBondContact O-N 2.91Å; L588-A590 VanDerWaalsContact C-N 3.31Å; L588-A590 PolarHBondContact O-N 2.81Å; L588-K591 PolarHBondContact O-N 3.48Å; L588-V592 WeakPolarHBondContact O-CB 3.46Å; L588-V592 VanDerWaalsContact O-CG2 3.27Å; L588-V592 WeakPolarHBondContact O-CG2 3.3Å; L588-V592 PolarHBondContact O-N 2.8Å |
| 589 | R | 83.5 | Confident | 82.9 | Confident | 144 Ų | 144 | 92.1 Ų | 92.1 | 54% | 0.543 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60 | -40.9 | 171.8 | -74.6 | 179.6 | -151.1 | 121.6 | 5.7 | 111.7 | N585 E586 S593 | N585-R589 WeakPolarHBondContact O-CB 3.46Å; N585-R589 VanDerWaalsContact O-CG 3.31Å; N585-R589 WeakPolarHBondContact O-CG 3.1Å; N585-R589 PolarHBondContact O-N 3.34Å; E586-R589 PolarHBondContact O-N 3.44Å; R589-S593 VanDerWaalsContact O-CB 3.31Å; R589-S593 WeakPolarHBondContact O-CB 3.39Å; R589-S593 PolarHBondContact O-N 3.4Å; R589-S593 PolarHBondContact O-OG 3.25Å |
| 590 | A | 81.7 | Confident | 82.8 | Confident | 59 Ų | 59 | 91.7 Ų | 91.7 | 49% | 0.488 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.3 | -46.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E586 L587 L588 S593 A594 | E586-A590 WeakPolarHBondContact O-CB 3.29Å; E586-A590 PolarHBondContact O-N 2.73Å; L587-A590 PolarHBondContact O-N 3.35Å; L588-A590 VanDerWaalsContact C-N 3.31Å; L588-A590 PolarHBondContact O-N 2.81Å; A590-S593 PolarHBondContact O-N 2.69Å; A590-A594 WeakPolarHBondContact O-CB 3.13Å; A590-A594 PolarHBondContact O-N 2.87Å |
| 591 | K | 85.8 | Confident | 82.7 | Confident | 109 Ų | 109 | 90.2 Ų | 90.2 | 47% | 0.474 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.5 | -45.1 | 174.3 | -74.9 | 171.3 | 179.8 | 174.1 | 0 | 112.2 | L587 L588 S593 A594 L595 | L587-K591 HydrophobicContact CG-CD 4.36Å; L587-K591 WeakPolarHBondContact O-CB 3.44Å; L587-K591 VanDerWaalsContact O-CG 3.27Å; L587-K591 WeakPolarHBondContact O-CG 3.11Å; L587-K591 PolarHBondContact O-N 3.16Å; L588-K591 PolarHBondContact O-N 3.48Å; K591-S593 VanDerWaalsContact C-N 3.34Å; K591-S593 PolarHBondContact O-N 2.75Å; K591-A594 PolarHBondContact O-N 3.33Å; K591-L595 WeakPolarHBondContact O-CB 3.45Å; K591-L595 VanDerWaalsContact O-CG 3.29Å; K591-L595 WeakPolarHBondContact O-CG 3.4Å; K591-L595 PolarHBondContact O-N 3.33Å |
| 592 | V | 83.3 | Confident | 82.6 | Confident | 69 Ų | 69 | 87.4 Ų | 87.4 | 42% | 0.418 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 176.7 | 168.7 | 0 | 0 | 0 | 0 | 110.9 | L588 L595 Q596 | L588-V592 WeakPolarHBondContact O-CB 3.46Å; L588-V592 VanDerWaalsContact O-CG2 3.27Å; L588-V592 WeakPolarHBondContact O-CG2 3.3Å; L588-V592 PolarHBondContact O-N 2.8Å; V592-L595 PolarHBondContact O-N 3.16Å; V592-Q596 HydrophobicContact CG1-CG 4.38Å; V592-Q596 WeakPolarHBondContact O-CB 3.38Å; V592-Q596 VanDerWaalsContact O-CG 3.26Å; V592-Q596 WeakPolarHBondContact O-CG 3.42Å; V592-Q596 PolarHBondContact O-N 3.02Å |
| 593 | S | 82 | Confident | 82.5 | Confident | 72 Ų | 72 | 89.1 Ų | 89.1 | 50% | 0.503 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.9 | -40.6 | 175.8 | -57.4 | 0 | 0 | 0 | 0 | 111.9 | R589 A590 K591 Q596 L597 | R589-S593 VanDerWaalsContact O-CB 3.31Å; R589-S593 WeakPolarHBondContact O-CB 3.39Å; R589-S593 PolarHBondContact O-N 3.4Å; R589-S593 PolarHBondContact O-OG 3.25Å; A590-S593 PolarHBondContact O-N 2.69Å; K591-S593 VanDerWaalsContact C-N 3.34Å; K591-S593 PolarHBondContact O-N 2.75Å; S593-Q596 PolarHBondContact O-N 3Å; S593-L597 WeakPolarHBondContact O-CB 3.39Å; S593-L597 PolarHBondContact O-N 3.46Å |
| 594 | A | 81.9 | Confident | 82.3 | Confident | 47 Ų | 47 | 89.7 Ų | 89.7 | 39% | 0.388 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65 | -45.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A590 K591 Q596 L597 D598 | A590-A594 WeakPolarHBondContact O-CB 3.13Å; A590-A594 PolarHBondContact O-N 2.87Å; K591-A594 PolarHBondContact O-N 3.33Å; A594-Q596 PolarHBondContact O-N 3.25Å; A594-L597 WeakPolarHBondContact O-CB 3.31Å; A594-L597 PolarHBondContact O-N 3.45Å; A594-D598 WeakPolarHBondContact O-CB 3.41Å; A594-D598 PolarHBondContact O-N 2.75Å |
| 595 | L | 82.9 | Confident | 82.3 | Confident | 120 Ų | 120 | 95 Ų | 95 | 63% | 0.628 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.6 | -35.8 | 176.4 | -72.6 | 169.9 | 0 | 0 | 0 | 112.5 | K591 V592 L599 | K591-L595 WeakPolarHBondContact O-CB 3.45Å; K591-L595 VanDerWaalsContact O-CG 3.29Å; K591-L595 WeakPolarHBondContact O-CG 3.4Å; K591-L595 PolarHBondContact O-N 3.33Å; V592-L595 PolarHBondContact O-N 3.16Å; L595-L599 WeakPolarHBondContact O-CB 3.36Å; L595-L599 PolarHBondContact O-N 3.14Å |
| 596 | Q | 81.4 | Confident | 82.1 | Confident | 123 Ų | 123 | 96.7 Ų | 96.7 | 58% | 0.575 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.8 | -41.1 | 172.5 | -76.2 | 176.2 | 3.3 | 0 | 0 | 111.7 | V592 S593 A594 L599 A600 | V592-Q596 HydrophobicContact CG1-CG 4.38Å; V592-Q596 WeakPolarHBondContact O-CB 3.38Å; V592-Q596 VanDerWaalsContact O-CG 3.26Å; V592-Q596 WeakPolarHBondContact O-CG 3.42Å; V592-Q596 PolarHBondContact O-N 3.02Å; S593-Q596 PolarHBondContact O-N 3Å; A594-Q596 PolarHBondContact O-N 3.25Å; Q596-L599 PolarHBondContact O-N 3.46Å; Q596-A600 WeakPolarHBondContact O-CB 3.41Å; Q596-A600 PolarHBondContact O-N 3.1Å |
| 597 | L | 82.4 | Confident | 81.8 | Confident | 102 Ų | 102 | 96.6 Ų | 96.6 | 53% | 0.534 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 175 | -178.1 | 68.2 | 0 | 0 | 0 | 111.7 | S593 A594 A600 K601 | S593-L597 WeakPolarHBondContact O-CB 3.39Å; S593-L597 PolarHBondContact O-N 3.46Å; A594-L597 WeakPolarHBondContact O-CB 3.31Å; A594-L597 PolarHBondContact O-N 3.45Å; L597-A600 PolarHBondContact O-N 2.77Å; L597-K601 WeakPolarHBondContact O-CG 3.22Å; L597-K601 PolarHBondContact O-N 3.04Å |
| 598 | D | 82.6 | Confident | 81.6 | Confident | 84 Ų | 84 | 95.8 Ų | 95.8 | 45% | 0.449 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -75.4 | -31 | 178.9 | -71.9 | -19.5 | 0 | 0 | 0 | 112.5 | A594 A600 K601 G602 | A594-D598 WeakPolarHBondContact O-CB 3.41Å; A594-D598 PolarHBondContact O-N 2.75Å; D598-A600 VanDerWaalsContact C-N 3.35Å; D598-K601 PolarHBondContact O-N 3.46Å; D598-K601 WeakPolarHBondContact OD1-CD 3.23Å; D598-K601 WeakPolarHBondContact OD1-CE 3.13Å; D598-K601 IonicContact OD1-NZ 3.29Å; D598-K601 PolarHBondContact OD1-NZ 3.02Å; D598-G602 PolarHBondContact O-N 3.38Å |
| 599 | L | 80.2 | Confident | 81.5 | Confident | 103 Ų | 103 | 95.6 Ų | 95.6 | 54% | 0.539 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.3 | -38.5 | 167.2 | -178.5 | 66.2 | 0 | 0 | 0 | 111.4 | L595 Q596 G602 K603 | L595-L599 WeakPolarHBondContact O-CB 3.36Å; L595-L599 PolarHBondContact O-N 3.14Å; Q596-L599 PolarHBondContact O-N 3.46Å; L599-G602 PolarHBondContact O-N 2.94Å; L599-K603 WeakPolarHBondContact O-CB 3.33Å; L599-K603 WeakPolarHBondContact O-CG 3.46Å; L599-K603 PolarHBondContact O-N 2.76Å |
| 600 | A | 78.6 | Confident | 81.4 | Confident | 57 Ų | 57 | 93.7 Ų | 93.7 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.9 | -44.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | Q596 L597 D598 G602 K603 S604 | Q596-A600 WeakPolarHBondContact O-CB 3.41Å; Q596-A600 PolarHBondContact O-N 3.1Å; L597-A600 PolarHBondContact O-N 2.77Å; D598-A600 VanDerWaalsContact C-N 3.35Å; A600-G602 VanDerWaalsContact C-N 3.31Å; A600-G602 PolarHBondContact O-N 3.43Å; A600-K603 PolarHBondContact O-N 3.36Å; A600-S604 PolarHBondContact O-N 3.4Å; A600-S604 PolarHBondContact O-OG 3.24Å |
| 601 | K | 82.8 | Confident | 81.3 | Confident | 112 Ų | 112 | 97 Ų | 97 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.4 | -40.6 | 170.2 | -66.5 | 169 | -165.1 | 154.7 | 0 | 111.8 | L597 D598 S604 R605 | L597-K601 WeakPolarHBondContact O-CG 3.22Å; L597-K601 PolarHBondContact O-N 3.04Å; D598-K601 PolarHBondContact O-N 3.46Å; D598-K601 WeakPolarHBondContact OD1-CD 3.23Å; D598-K601 WeakPolarHBondContact OD1-CE 3.13Å; D598-K601 IonicContact OD1-NZ 3.29Å; D598-K601 PolarHBondContact OD1-NZ 3.02Å; K601-S604 PolarHBondContact O-OG 2.88Å; K601-R605 VanDerWaalsContact O-CB 3.25Å; K601-R605 WeakPolarHBondContact O-CB 3.18Å; K601-R605 PolarHBondContact O-N 2.78Å |
| 602 | G | 80.7 | Confident | 81.1 | Confident | 38 Ų | 38 | 95.5 Ų | 95.5 | 39% | 0.392 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.1 | -45.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D598 L599 A600 R605 L606 | D598-G602 PolarHBondContact O-N 3.38Å; L599-G602 PolarHBondContact O-N 2.94Å; A600-G602 VanDerWaalsContact C-N 3.31Å; A600-G602 PolarHBondContact O-N 3.43Å; G602-R605 PolarHBondContact O-N 3.38Å; G602-L606 VanDerWaalsContact O-CB 3.26Å; G602-L606 WeakPolarHBondContact O-CB 3.2Å; G602-L606 PolarHBondContact O-N 3.12Å |
| 603 | K | 80.1 | Confident | 80.9 | Confident | 124 Ų | 124 | 96.6 Ų | 96.6 | 54% | 0.539 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.6 | -50.5 | 175.4 | -77.3 | -179.7 | 177 | -175.8 | 0 | 112.4 | L599 A600 R605 L606 E607 | L599-K603 WeakPolarHBondContact O-CB 3.33Å; L599-K603 WeakPolarHBondContact O-CG 3.46Å; L599-K603 PolarHBondContact O-N 2.76Å; A600-K603 PolarHBondContact O-N 3.36Å; K603-R605 VanDerWaalsContact C-N 3.29Å; K603-R605 PolarHBondContact O-N 2.79Å; K603-L606 CarbonylContact O-C 3.34Å; K603-L606 PolarHBondContact O-N 2.78Å; K603-E607 WeakPolarHBondContact O-CG 3.39Å; K603-E607 PolarHBondContact O-N 3.36Å |
| 604 | S | 79.4 | Confident | 80.8 | Confident | 68 Ų | 68 | 97.3 Ų | 97.3 | 48% | 0.476 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.8 | -33.9 | 179.7 | 65.9 | 0 | 0 | 0 | 0 | 112.6 | A600 K601 S608 | A600-S604 PolarHBondContact O-N 3.4Å; A600-S604 PolarHBondContact O-OG 3.24Å; K601-S604 PolarHBondContact O-OG 2.88Å; S604-S608 VanDerWaalsContact O-CB 3.28Å; S604-S608 WeakPolarHBondContact O-CB 3.22Å; S604-S608 PolarHBondContact O-N 3.03Å |
| 605 | R | 84.5 | Confident | 80.8 | Confident | 186 Ų | 186 | 99.3 Ų | 99.3 | 70% | 0.702 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.2 | -38.3 | 170.9 | -173.5 | 174 | -179.1 | 174.4 | -0.4 | 112.3 | K601 G602 K603 S608 L609 | K601-R605 VanDerWaalsContact O-CB 3.25Å; K601-R605 WeakPolarHBondContact O-CB 3.18Å; K601-R605 PolarHBondContact O-N 2.78Å; G602-R605 PolarHBondContact O-N 3.38Å; K603-R605 VanDerWaalsContact C-N 3.29Å; K603-R605 PolarHBondContact O-N 2.79Å; R605-S608 PolarHBondContact O-N 3.4Å; R605-L609 HydrophobicContact CG-CD1 4.2Å; R605-L609 WeakPolarHBondContact O-CB 3.41Å; R605-L609 VanDerWaalsContact O-CG 3.26Å; R605-L609 WeakPolarHBondContact O-CG 3.45Å; R605-L609 PolarHBondContact O-N 3.3Å |
| 606 | L | 79.4 | Confident | 80.7 | Confident | 108 Ų | 108 | 97.8 Ų | 97.8 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -70.4 | -41.4 | 177.6 | -167.3 | 152.7 | 0 | 0 | 0 | 111.3 | G602 K603 L609 Q610 | G602-L606 VanDerWaalsContact O-CB 3.26Å; G602-L606 WeakPolarHBondContact O-CB 3.2Å; G602-L606 PolarHBondContact O-N 3.12Å; K603-L606 CarbonylContact O-C 3.34Å; K603-L606 PolarHBondContact O-N 2.78Å; L606-L609 PolarHBondContact O-N 3.05Å; L606-Q610 VanDerWaalsContact O-CB 3.29Å; L606-Q610 WeakPolarHBondContact O-CB 3.38Å; L606-Q610 PolarHBondContact O-N 2.78Å |
| 607 | E | 78.3 | Confident | 80.7 | Confident | 127 Ų | 127 | 98.9 Ų | 98.9 | 59% | 0.593 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.8 | -45.2 | 171.5 | -71.6 | 167.5 | 169.3 | 0 | 0 | 111.3 | K603 Q610 Q611 | K603-E607 WeakPolarHBondContact O-CG 3.39Å; K603-E607 PolarHBondContact O-N 3.36Å; E607-Q610 WeakPolarHBondContact O-CB 3.24Å; E607-Q610 PolarHBondContact O-N 2.72Å; E607-Q611 PolarHBondContact O-N 2.88Å |
| 608 | S | 79.2 | Confident | 80.6 | Confident | 69 Ų | 69 | 97 Ų | 97 | 48% | 0.483 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 175.5 | -171.1 | 0 | 0 | 0 | 0 | 112.2 | S604 R605 Q611 I612 | S604-S608 VanDerWaalsContact O-CB 3.28Å; S604-S608 WeakPolarHBondContact O-CB 3.22Å; S604-S608 PolarHBondContact O-N 3.03Å; R605-S608 PolarHBondContact O-N 3.4Å; S608-Q611 PolarHBondContact O-N 3.04Å; S608-I612 WeakPolarHBondContact O-CG1 3.42Å; S608-I612 PolarHBondContact O-N 3.4Å |
| 609 | L | 80.8 | Confident | 80.5 | Confident | 86 Ų | 86 | 98.8 Ų | 98.8 | 45% | 0.45 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.9 | -38.5 | 174.3 | -74.1 | 168.4 | 0 | 0 | 0 | 112.5 | R605 L606 Q611 I612 I613 | R605-L609 HydrophobicContact CG-CD1 4.2Å; R605-L609 WeakPolarHBondContact O-CB 3.41Å; R605-L609 VanDerWaalsContact O-CG 3.26Å; R605-L609 WeakPolarHBondContact O-CG 3.45Å; R605-L609 PolarHBondContact O-N 3.3Å; L606-L609 PolarHBondContact O-N 3.05Å; L609-Q611 VanDerWaalsContact C-N 3.28Å; L609-Q611 PolarHBondContact O-N 2.96Å; L609-I612 PolarHBondContact O-N 3.23Å; L609-I613 WeakPolarHBondContact O-CB 3.21Å; L609-I613 VanDerWaalsContact O-CG1 3.25Å; L609-I613 WeakPolarHBondContact O-CG1 3.47Å; L609-I613 PolarHBondContact O-N 2.91Å |
| 610 | Q | 80.9 | Confident | 80.4 | Confident | 104 Ų | 104 | 98.3 Ų | 98.3 | 49% | 0.486 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62 | -38.5 | 175.5 | -164.5 | 79.5 | 12.2 | 0 | 0 | 110.9 | L606 E607 N614 | L606-Q610 VanDerWaalsContact O-CB 3.29Å; L606-Q610 WeakPolarHBondContact O-CB 3.38Å; L606-Q610 PolarHBondContact O-N 2.78Å; E607-Q610 WeakPolarHBondContact O-CB 3.24Å; E607-Q610 PolarHBondContact O-N 2.72Å; Q610-N614 WeakPolarHBondContact O-CB 3.5Å; Q610-N614 VanDerWaalsContact O-CG 3.32Å; Q610-N614 PolarHBondContact O-N 3.45Å; Q610-N614 PolarHBondContact O-ND2 3.39Å |
| 611 | Q | 79.5 | Confident | 80.4 | Confident | 130 Ų | 130 | 98.1 Ų | 98.1 | 61% | 0.607 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -72 | -39.6 | 176.9 | -168.1 | 165.5 | 4.3 | 0 | 0 | 112.2 | E607 S608 L609 N614 N615 | E607-Q611 PolarHBondContact O-N 2.88Å; S608-Q611 PolarHBondContact O-N 3.04Å; L609-Q611 VanDerWaalsContact C-N 3.28Å; L609-Q611 PolarHBondContact O-N 2.96Å; Q611-N614 PolarHBondContact O-N 3.07Å; Q611-N615 VanDerWaalsContact O-CG 3.25Å; Q611-N615 PolarHBondContact O-N 3.31Å; Q611-N615 PolarHBondContact O-OD1 3.11Å |
| 612 | I | 82.4 | Confident | 80.2 | Confident | 77 Ų | 77 | 95.4 Ų | 95.4 | 40% | 0.395 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.4 | -51.9 | 170.1 | -68.1 | 163.6 | 0 | 0 | 0 | 110.2 | S608 L609 N614 N615 D616 | S608-I612 WeakPolarHBondContact O-CG1 3.42Å; S608-I612 PolarHBondContact O-N 3.4Å; L609-I612 PolarHBondContact O-N 3.23Å; I612-N614 PolarHBondContact O-N 3.41Å; I612-N615 CarbonylContact O-C 3.5Å; I612-N615 WeakPolarHBondContact O-CA 3.47Å; I612-N615 WeakPolarHBondContact O-CB 2.97Å; I612-N615 PolarHBondContact O-N 3.48Å; I612-D616 VanDerWaalsContact O-CG 3.23Å; I612-D616 PolarHBondContact O-N 3.14Å |
| 613 | I | 79.5 | Confident | 80 | Confident | 91 Ų | 91 | 98.4 Ų | 98.4 | 47% | 0.467 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.1 | -36.5 | 178.9 | -70.8 | 165 | 0 | 0 | 0 | 111.9 | L609 K617 | L609-I613 WeakPolarHBondContact O-CB 3.21Å; L609-I613 VanDerWaalsContact O-CG1 3.25Å; L609-I613 WeakPolarHBondContact O-CG1 3.47Å; L609-I613 PolarHBondContact O-N 2.91Å; I613-K617 WeakPolarHBondContact O-CB 3.46Å; I613-K617 PolarHBondContact O-N 3.39Å |
| 614 | N | 78.9 | Confident | 80 | Confident | 88 Ų | 88 | 99 Ų | 99 | 47% | 0.471 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.5 | -40 | 174.7 | -78.6 | -28.3 | 0 | 0 | 0 | 112.4 | Q610 Q611 I612 S618 | Q610-N614 WeakPolarHBondContact O-CB 3.5Å; Q610-N614 VanDerWaalsContact O-CG 3.32Å; Q610-N614 PolarHBondContact O-N 3.45Å; Q610-N614 PolarHBondContact O-ND2 3.39Å; Q611-N614 PolarHBondContact O-N 3.07Å; I612-N614 PolarHBondContact O-N 3.41Å; N614-S618 PolarHBondContact O-N 3.26Å |
| 615 | N | 81.9 | Confident | 79.9 | Confident | 88 Ų | 88 | 102.3 Ų | 102.3 | 47% | 0.471 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.2 | -54.1 | 173.2 | -67.6 | -10 | 0 | 0 | 0 | 110.7 | Q611 I612 K617 S618 E619 | Q611-N615 VanDerWaalsContact O-CG 3.25Å; Q611-N615 PolarHBondContact O-N 3.31Å; Q611-N615 PolarHBondContact O-OD1 3.11Å; I612-N615 CarbonylContact O-C 3.5Å; I612-N615 WeakPolarHBondContact O-CA 3.47Å; I612-N615 WeakPolarHBondContact O-CB 2.97Å; I612-N615 PolarHBondContact O-N 3.48Å; N615-K617 VanDerWaalsContact C-N 3.26Å; N615-K617 PolarHBondContact O-N 3.38Å; N615-S618 CarbonylContact O-C 3.59Å; N615-S618 WeakPolarHBondContact O-CA 2.94Å; N615-S618 WeakPolarHBondContact O-CB 3.49Å; N615-S618 PolarHBondContact O-N 3.49Å; N615-S618 PolarHBondContact O-OG 3.41Å; N615-E619 PolarHBondContact O-N 3.23Å |
| 616 | D | 82.1 | Confident | 79.7 | Confident | 88 Ų | 88 | 98 Ų | 98 | 47% | 0.471 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -54.7 | -42.1 | 178.3 | -63.1 | -3.8 | 0 | 0 | 0 | 111.5 | I612 S618 E619 L620 | I612-D616 VanDerWaalsContact O-CG 3.23Å; I612-D616 PolarHBondContact O-N 3.14Å; D616-S618 VanDerWaalsContact C-N 3.32Å; D616-S618 PolarHBondContact O-N 3.24Å; D616-E619 PolarHBondContact O-N 2.81Å; D616-L620 WeakPolarHBondContact O-CB 3.29Å; D616-L620 PolarHBondContact O-N 3.38Å |
| 617 | K | 81 | Confident | 79.6 | Confident | 146 Ų | 146 | 100.4 Ų | 100.4 | 64% | 0.635 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.7 | -30.6 | 176.7 | -171.1 | 175.3 | -175.4 | 179 | 0 | 112.2 | I613 N615 S621 | I613-K617 WeakPolarHBondContact O-CB 3.46Å; I613-K617 PolarHBondContact O-N 3.39Å; N615-K617 VanDerWaalsContact C-N 3.26Å; N615-K617 PolarHBondContact O-N 3.38Å; K617-S621 PolarHBondContact O-N 2.92Å |
| 618 | S | 79.5 | Confident | 79.6 | Confident | 63 Ų | 63 | 98.7 Ų | 98.7 | 44% | 0.441 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -71.7 | -45.4 | 172 | 83.6 | 0 | 0 | 0 | 0 | 111.5 | N614 N615 D616 S621 V622 | N614-S618 PolarHBondContact O-N 3.26Å; N615-S618 CarbonylContact O-C 3.59Å; N615-S618 WeakPolarHBondContact O-CA 2.94Å; N615-S618 WeakPolarHBondContact O-CB 3.49Å; N615-S618 PolarHBondContact O-N 3.49Å; N615-S618 PolarHBondContact O-OG 3.41Å; D616-S618 VanDerWaalsContact C-N 3.32Å; D616-S618 PolarHBondContact O-N 3.24Å; S618-S621 WeakPolarHBondContact O-CA 3.28Å; S618-S621 WeakPolarHBondContact O-CB 3.49Å; S618-S621 PolarHBondContact O-N 3.39Å; S618-S621 VanDerWaalsContact O-N 3.07Å; S618-S621 PolarHBondContact O-OG 3.29Å; S618-V622 PolarHBondContact O-N 2.92Å; S618-V622 VanDerWaalsContact O-N 3.13Å |
| 619 | E | 80.4 | Confident | 79.5 | Confident | 122 Ų | 122 | 100.7 Ų | 100.7 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.7 | -45.3 | 175.4 | -69.4 | -166.3 | 166.5 | 0 | 0 | 111.5 | N615 D616 S621 V622 L623 | N615-E619 PolarHBondContact O-N 3.23Å; D616-E619 PolarHBondContact O-N 2.81Å; E619-S621 PolarHBondContact O-N 3.21Å; E619-S621 VanDerWaalsContact O-N 3.17Å; E619-V622 CarbonylContact O-C 3.58Å; E619-V622 WeakPolarHBondContact O-CA 3.28Å; E619-V622 WeakPolarHBondContact O-CB 3.28Å; E619-V622 PolarHBondContact O-N 3.16Å; E619-L623 WeakPolarHBondContact O-CG 3.21Å; E619-L623 PolarHBondContact O-N 3.43Å |
| 620 | L | 78.5 | Confident | 79.4 | Confident | 93 Ų | 93 | 101.5 Ų | 101.5 | 49% | 0.487 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.1 | -24.1 | 174.9 | -165.9 | 120.1 | 0 | 0 | 0 | 112.4 | D616 K624 | D616-L620 WeakPolarHBondContact O-CB 3.29Å; D616-L620 PolarHBondContact O-N 3.38Å; L620-K624 HydrophobicContact CD2-CD 4.18Å; L620-K624 VanDerWaalsContact O-CB 3.28Å; L620-K624 WeakPolarHBondContact O-CB 3.2Å; L620-K624 WeakPolarHBondContact O-CG 3.2Å; L620-K624 PolarHBondContact O-N 2.78Å; L620-K624 VanDerWaalsContact O-N 3.1Å |
| 621 | S | 79 | Confident | 79.4 | Confident | 53 Ų | 53 | 99.2 Ų | 99.2 | 37% | 0.371 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -77.4 | -28.1 | 170.8 | 89.7 | 0 | 0 | 0 | 0 | 113.3 | K617 S618 E619 R625 | K617-S621 PolarHBondContact O-N 2.92Å; S618-S621 WeakPolarHBondContact O-CA 3.28Å; S618-S621 WeakPolarHBondContact O-CB 3.49Å; S618-S621 PolarHBondContact O-N 3.39Å; S618-S621 VanDerWaalsContact O-N 3.07Å; S618-S621 PolarHBondContact O-OG 3.29Å; E619-S621 PolarHBondContact O-N 3.21Å; E619-S621 VanDerWaalsContact O-N 3.17Å; S621-R625 PolarHBondContact O-NH2 2.95Å; S621-R625 VanDerWaalsContact O-NH2 3.14Å; S621-R625 PolarHBondContact OG-NH2 3.23Å |
| 622 | V | 77.9 | Confident | 79.2 | Confident | 55 Ų | 55 | 97 Ų | 97 | 33% | 0.333 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -75.9 | -52.4 | 172.6 | 176.2 | 0 | 0 | 0 | 0 | 109.5 | S618 E619 K624 R625 E626 | S618-V622 PolarHBondContact O-N 2.92Å; S618-V622 VanDerWaalsContact O-N 3.13Å; E619-V622 CarbonylContact O-C 3.58Å; E619-V622 WeakPolarHBondContact O-CA 3.28Å; E619-V622 WeakPolarHBondContact O-CB 3.28Å; E619-V622 PolarHBondContact O-N 3.16Å; V622-K624 VanDerWaalsContact C-N 3.28Å; V622-K624 PolarHBondContact O-N 2.94Å; V622-R625 CarbonylContact O-C 3.43Å; V622-R625 VanDerWaalsContact O-CA 3.32Å; V622-R625 WeakPolarHBondContact O-CA 3.43Å; V622-R625 WeakPolarHBondContact O-CB 3.45Å; V622-R625 PolarHBondContact O-N 3.05Å; V622-E626 HydrophobicContact CG1-CG 4.33Å; V622-E626 PolarHBondContact O-N 3.28Å |
| 623 | L | 77.6 | Confident | 79 | Confident | 100 Ų | 100 | 99.6 Ų | 99.6 | 52% | 0.524 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.2 | -35.3 | 177.7 | -68.2 | 170.1 | 0 | 0 | 0 | 112.6 | E619 R625 R627 | E619-L623 WeakPolarHBondContact O-CG 3.21Å; E619-L623 PolarHBondContact O-N 3.43Å; L623-R625 VanDerWaalsContact C-N 3.34Å; L623-R627 WeakPolarHBondContact O-CB 3.43Å; L623-R627 PolarHBondContact O-N 2.73Å |
| 624 | K | 80 | Confident | 78.8 | Confident | 138 Ų | 138 | 99.4 Ų | 99.4 | 60% | 0.6 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.1 | -36 | 170.7 | -83.2 | 177.2 | 176.4 | 179.8 | 0 | 112.8 | L620 V622 Q628 | L620-K624 HydrophobicContact CD2-CD 4.18Å; L620-K624 VanDerWaalsContact O-CB 3.28Å; L620-K624 WeakPolarHBondContact O-CB 3.2Å; L620-K624 WeakPolarHBondContact O-CG 3.2Å; L620-K624 PolarHBondContact O-N 2.78Å; L620-K624 VanDerWaalsContact O-N 3.1Å; V622-K624 VanDerWaalsContact C-N 3.28Å; V622-K624 PolarHBondContact O-N 2.94Å; K624-Q628 PolarHBondContact O-N 2.77Å |
| 625 | R | 76.7 | Confident | 78.7 | Confident | 136 Ų | 136 | 98.5 Ų | 98.5 | 51% | 0.513 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -70.2 | -44.9 | 177.3 | -134.2 | 178 | -58.9 | 120 | 5.3 | 111.1 | S621 V622 L623 Q628 Q629 | S621-R625 PolarHBondContact O-NH2 2.95Å; S621-R625 VanDerWaalsContact O-NH2 3.14Å; S621-R625 PolarHBondContact OG-NH2 3.23Å; V622-R625 CarbonylContact O-C 3.43Å; V622-R625 VanDerWaalsContact O-CA 3.32Å; V622-R625 WeakPolarHBondContact O-CA 3.43Å; V622-R625 WeakPolarHBondContact O-CB 3.45Å; V622-R625 PolarHBondContact O-N 3.05Å; L623-R625 VanDerWaalsContact C-N 3.34Å; R625-Q628 PolarHBondContact O-N 2.8Å; R625-Q629 WeakPolarHBondContact O-CG 3.42Å; R625-Q629 PolarHBondContact O-N 2.81Å |
| 626 | E | 79.3 | Confident | 78.3 | Confident | 95 Ų | 95 | 99.8 Ų | 99.8 | 44% | 0.444 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.3 | -43.5 | 175.4 | -67.6 | 177.1 | 164 | 0 | 0 | 111.6 | V622 Q628 Q629 L630 | V622-E626 HydrophobicContact CG1-CG 4.33Å; V622-E626 PolarHBondContact O-N 3.28Å; E626-Q628 VanDerWaalsContact C-N 3.29Å; E626-Q628 PolarHBondContact O-N 3.36Å; E626-Q629 PolarHBondContact O-N 2.79Å; E626-L630 WeakPolarHBondContact O-CB 3.34Å; E626-L630 WeakPolarHBondContact O-CG 3.48Å; E626-L630 PolarHBondContact O-N 3.29Å |
| 627 | R | 79.1 | Confident | 77.8 | Confident | 160 Ų | 160 | 98.5 Ų | 98.5 | 60% | 0.604 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -57.9 | -40.7 | 172.4 | 178.7 | 177.9 | 173 | -83.4 | -0.2 | 111.7 | L623 L630 I631 | L623-R627 WeakPolarHBondContact O-CB 3.43Å; L623-R627 PolarHBondContact O-N 2.73Å; R627-L630 PolarHBondContact O-N 2.81Å; R627-I631 HydrophobicContact CG-CD1 4Å; R627-I631 VanDerWaalsContact O-CG1 3.3Å; R627-I631 WeakPolarHBondContact O-CG1 3.44Å; R627-I631 PolarHBondContact O-N 3.26Å |
| 628 | Q | 77.4 | Confident | 77.5 | Confident | 90 Ų | 90 | 96.9 Ų | 96.9 | 42% | 0.421 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.1 | -49.2 | 175.6 | -168 | 60 | 50.5 | 0 | 0 | 110.9 | K624 R625 E626 L630 I631 D632 | K624-Q628 PolarHBondContact O-N 2.77Å; R625-Q628 PolarHBondContact O-N 2.8Å; E626-Q628 VanDerWaalsContact C-N 3.29Å; E626-Q628 PolarHBondContact O-N 3.36Å; Q628-L630 PolarHBondContact O-N 2.74Å; Q628-L630 VanDerWaalsContact O-N 3.15Å; Q628-I631 WeakPolarHBondContact O-CB 3.35Å; Q628-I631 PolarHBondContact O-N 2.76Å; Q628-D632 PolarHBondContact NE2-OD1 2.65Å; Q628-D632 PolarHBondContact O-N 3.28Å |
| 629 | Q | 78.3 | Confident | 77.2 | Confident | 112 Ų | 112 | 100 Ų | 100 | 52% | 0.523 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.7 | -28.1 | 175.7 | -70.4 | 176.5 | 0.8 | 0 | 0 | 113.8 | R625 E626 K633 | R625-Q629 WeakPolarHBondContact O-CG 3.42Å; R625-Q629 PolarHBondContact O-N 2.81Å; E626-Q629 PolarHBondContact O-N 2.79Å; Q629-K633 WeakPolarHBondContact O-CB 3.32Å; Q629-K633 WeakPolarHBondContact O-CD 3.33Å; Q629-K633 VanDerWaalsContact O-CG 3.25Å; Q629-K633 WeakPolarHBondContact O-CG 3.43Å; Q629-K633 PolarHBondContact O-N 2.77Å |
| 630 | L | 78.6 | Confident | 76.8 | Confident | 102 Ų | 102 | 100.3 Ų | 100.3 | 53% | 0.534 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -77.3 | -39.6 | 172.8 | -73.4 | 169.8 | 0 | 0 | 0 | 112.2 | E626 R627 Q628 K633 I634 | E626-L630 WeakPolarHBondContact O-CB 3.34Å; E626-L630 WeakPolarHBondContact O-CG 3.48Å; E626-L630 PolarHBondContact O-N 3.29Å; R627-L630 PolarHBondContact O-N 2.81Å; Q628-L630 PolarHBondContact O-N 2.74Å; Q628-L630 VanDerWaalsContact O-N 3.15Å; L630-K633 PolarHBondContact O-N 3.27Å; L630-I634 WeakPolarHBondContact O-CB 3.46Å; L630-I634 VanDerWaalsContact O-CG1 3.25Å; L630-I634 WeakPolarHBondContact O-CG1 3.43Å; L630-I634 PolarHBondContact O-N 2.82Å |
| 631 | I | 79.6 | Confident | 76.2 | Confident | 57 Ų | 57 | 101.2 Ų | 101.2 | 29% | 0.292 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.5 | -46.7 | 172.7 | -71.2 | 164.3 | 0 | 0 | 0 | 110.4 | R627 Q628 K633 I634 T635 | R627-I631 HydrophobicContact CG-CD1 4Å; R627-I631 VanDerWaalsContact O-CG1 3.3Å; R627-I631 WeakPolarHBondContact O-CG1 3.44Å; R627-I631 PolarHBondContact O-N 3.26Å; Q628-I631 WeakPolarHBondContact O-CB 3.35Å; Q628-I631 PolarHBondContact O-N 2.76Å; I631-K633 PolarHBondContact O-N 2.75Å; I631-I634 PolarHBondContact O-N 2.83Å; I631-I634 VanDerWaalsContact O-N 3.08Å; I631-T635 PolarHBondContact O-N 3.45Å; I631-T635 PolarHBondContact O-OG1 3.29Å |
| 632 | D | 75 | Confident | 75.7 | Confident | 82 Ų | 82 | 104.8 Ų | 104.8 | 44% | 0.439 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.6 | -30 | 179.3 | -54.3 | -22.9 | 0 | 0 | 0 | 112 | Q628 T635 Q636 | Q628-D632 PolarHBondContact NE2-OD1 2.65Å; Q628-D632 PolarHBondContact O-N 3.28Å; D632-T635 PolarHBondContact O-OG1 2.87Å; D632-Q636 WeakPolarHBondContact O-CB 3.32Å; D632-Q636 PolarHBondContact O-N 2.83Å |
| 633 | K | 78.8 | Confident | 75.2 | Confident | 132 Ų | 132 | 107.1 Ų | 107.1 | 57% | 0.574 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -78.3 | -36.7 | 172.2 | -79 | 172.8 | 180 | 175 | 0 | 113.1 | Q629 L630 I631 Q636 S637 | Q629-K633 WeakPolarHBondContact O-CB 3.32Å; Q629-K633 WeakPolarHBondContact O-CD 3.33Å; Q629-K633 VanDerWaalsContact O-CG 3.25Å; Q629-K633 WeakPolarHBondContact O-CG 3.43Å; Q629-K633 PolarHBondContact O-N 2.77Å; L630-K633 PolarHBondContact O-N 3.27Å; I631-K633 PolarHBondContact O-N 2.75Å; K633-Q636 PolarHBondContact O-N 3.39Å; K633-S637 WeakPolarHBondContact O-CB 3.29Å; K633-S637 PolarHBondContact O-N 3.26Å; K633-S637 PolarHBondContact O-OG 2.81Å |
| 634 | I | 75.1 | Confident | 74.3 | Confident | 87 Ų | 87 | 105 Ų | 105 | 45% | 0.446 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.4 | -50.9 | 178.7 | -75 | 164 | 0 | 0 | 0 | 109.3 | L630 I631 Q636 S637 E638 | L630-I634 WeakPolarHBondContact O-CB 3.46Å; L630-I634 VanDerWaalsContact O-CG1 3.25Å; L630-I634 WeakPolarHBondContact O-CG1 3.43Å; L630-I634 PolarHBondContact O-N 2.82Å; I631-I634 PolarHBondContact O-N 2.83Å; I631-I634 VanDerWaalsContact O-N 3.08Å; I634-Q636 VanDerWaalsContact C-N 3.32Å; I634-Q636 PolarHBondContact O-N 3.28Å; I634-S637 CarbonylContact O-C 3.54Å; I634-S637 WeakPolarHBondContact O-CA 3.26Å; I634-S637 WeakPolarHBondContact O-CB 3.34Å; I634-S637 PolarHBondContact O-N 2.96Å; I634-S637 PolarHBondContact O-OG 3.02Å; I634-E638 HydrophobicContact CG2-CG 4.23Å; I634-E638 WeakPolarHBondContact O-CG 3.49Å; I634-E638 PolarHBondContact O-N 3.26Å |
| 635 | T | 76.6 | Confident | 73.3 | Confident | 70 Ų | 70 | 103.6 Ų | 103.6 | 43% | 0.429 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.4 | -41.5 | 177.1 | 46.5 | 0 | 0 | 0 | 0 | 112.4 | I631 D632 S637 E638 E639 | I631-T635 PolarHBondContact O-N 3.45Å; I631-T635 PolarHBondContact O-OG1 3.29Å; D632-T635 PolarHBondContact O-OG1 2.87Å; T635-S637 VanDerWaalsContact C-N 3.26Å; T635-S637 PolarHBondContact O-N 3.43Å; T635-E638 PolarHBondContact O-N 2.78Å; T635-E639 PolarHBondContact O-N 2.78Å |
| 636 | Q | 75 | Confident | 72.5 | Confident | 115 Ų | 115 | 102.7 Ų | 102.7 | 54% | 0.537 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.6 | -28.7 | 173.8 | -177.8 | 169.2 | 83.5 | 0 | 0 | 113.3 | D632 K633 I634 Q640 | D632-Q636 WeakPolarHBondContact O-CB 3.32Å; D632-Q636 PolarHBondContact O-N 2.83Å; K633-Q636 PolarHBondContact O-N 3.39Å; I634-Q636 VanDerWaalsContact C-N 3.32Å; I634-Q636 PolarHBondContact O-N 3.28Å; Q636-Q640 WeakPolarHBondContact O-CG 3.39Å |
| 637 | S | 70.2 | Confident | 71.3 | Confident | 60 Ų | 60 | 102 Ų | 102 | 42% | 0.42 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -81.6 | -30.7 | 173.1 | 74.6 | 0 | 0 | 0 | 0 | 113.1 | K633 I634 T635 Q640 L641 | K633-S637 WeakPolarHBondContact O-CB 3.29Å; K633-S637 PolarHBondContact O-N 3.26Å; K633-S637 PolarHBondContact O-OG 2.81Å; I634-S637 CarbonylContact O-C 3.54Å; I634-S637 WeakPolarHBondContact O-CA 3.26Å; I634-S637 WeakPolarHBondContact O-CB 3.34Å; I634-S637 PolarHBondContact O-N 2.96Å; I634-S637 PolarHBondContact O-OG 3.02Å; T635-S637 VanDerWaalsContact C-N 3.26Å; T635-S637 PolarHBondContact O-N 3.43Å; S637-Q640 PolarHBondContact O-N 3.22Å; S637-L641 WeakPolarHBondContact O-CB 3.41Å; S637-L641 PolarHBondContact O-N 3.47Å |
| 638 | E | 75.8 | Confident | 70 | Confident | 112 Ų | 112 | 97 Ų | 97 | 52% | 0.523 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.7 | -44.4 | 174.7 | -71.8 | 171.3 | 146.9 | 0 | 0 | 110.5 | I634 T635 Q640 L641 E642 | I634-E638 HydrophobicContact CG2-CG 4.23Å; I634-E638 WeakPolarHBondContact O-CG 3.49Å; I634-E638 PolarHBondContact O-N 3.26Å; T635-E638 PolarHBondContact O-N 2.78Å; E638-Q640 VanDerWaalsContact C-N 3.29Å; E638-Q640 PolarHBondContact O-N 3.24Å; E638-L641 PolarHBondContact O-N 3.45Å; E638-L641 VanDerWaalsContact O-N 3.13Å; E638-E642 WeakPolarHBondContact O-CB 3.46Å; E638-E642 PolarHBondContact O-N 2.94Å |
| 639 | E | 72.7 | Confident | 68.8 | Low | 128 Ų | 128 | 96.7 Ų | 96.7 | 60% | 0.598 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -56.2 | -42.1 | 170.8 | -75 | -171.7 | 135 | 0 | 0 | 112 | T635 N643 | T635-E639 PolarHBondContact O-N 2.78Å; E639-N643 WeakPolarHBondContact O-CB 3.49Å; E639-N643 PolarHBondContact O-N 3Å; E639-N643 PolarHBondContact O-ND2 3.16Å |
| 640 | Q | 70.7 | Confident | 67.5 | Low | 129 Ų | 129 | 96.8 Ų | 96.8 | 60% | 0.603 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.5 | -37.9 | 177.4 | -72.8 | 174.6 | 25 | 0 | 0 | 112.1 | Q636 S637 E638 A644 | Q636-Q640 WeakPolarHBondContact O-CG 3.39Å; S637-Q640 PolarHBondContact O-N 3.22Å; E638-Q640 VanDerWaalsContact C-N 3.29Å; E638-Q640 PolarHBondContact O-N 3.24Å; Q640-A644 WeakPolarHBondContact O-CB 3.22Å; Q640-A644 PolarHBondContact O-N 2.94Å |
| 641 | L | 66.1 | Low | 65.9 | Low | 112 Ų | 112 | 101.4 Ų | 101.4 | 59% | 0.586 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -76.2 | -35.4 | -178.5 | -154 | 155.2 | 0 | 0 | 0 | 111.6 | S637 E638 A644 L645 | S637-L641 WeakPolarHBondContact O-CB 3.41Å; S637-L641 PolarHBondContact O-N 3.47Å; E638-L641 PolarHBondContact O-N 3.45Å; E638-L641 VanDerWaalsContact O-N 3.13Å; L641-A644 PolarHBondContact O-N 3.26Å; L641-L645 HydrophobicContact CD2-CD1 3.67Å; L641-L645 HydrophobicContact CD2-CG 4.08Å; L641-L645 WeakPolarHBondContact O-CB 3.15Å; L641-L645 WeakPolarHBondContact O-CG 3.41Å; L641-L645 PolarHBondContact O-N 2.96Å |
| 642 | E | 69.9 | Low | 64.2 | Low | 128 Ų | 128 | 105.7 Ų | 105.7 | 60% | 0.598 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64.2 | -45.6 | 171 | -174.7 | 169.5 | -150.8 | 0 | 0 | 111.6 | E638 A644 L645 L646 | E638-E642 WeakPolarHBondContact O-CB 3.46Å; E638-E642 PolarHBondContact O-N 2.94Å; E642-A644 VanDerWaalsContact C-N 3.3Å; E642-A644 PolarHBondContact O-N 3.08Å; E642-L645 PolarHBondContact O-N 3.08Å; E642-L645 VanDerWaalsContact O-N 3.17Å; E642-L646 PolarHBondContact O-N 3.27Å |
| 643 | N | 66.2 | Low | 62.6 | Low | 105 Ų | 105 | 109.8 Ų | 109.8 | 56% | 0.561 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -60.4 | -38.7 | 172.5 | -82.9 | -77 | 0 | 0 | 0 | 112.2 | E639 T647 | E639-N643 WeakPolarHBondContact O-CB 3.49Å; E639-N643 PolarHBondContact O-N 3Å; E639-N643 PolarHBondContact O-ND2 3.16Å; N643-T647 WeakPolarHBondContact O-CB 3.15Å; N643-T647 PolarHBondContact O-N 2.94Å; N643-T647 VanDerWaalsContact O-N 3.13Å; N643-T647 PolarHBondContact O-OG1 3.5Å |
| 644 | A | 60.3 | Low | 60.7 | Low | 56 Ų | 56 | 111.7 Ų | 111.7 | 46% | 0.463 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.4 | -38.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q640 L641 E642 T647 A648 | Q640-A644 WeakPolarHBondContact O-CB 3.22Å; Q640-A644 PolarHBondContact O-N 2.94Å; L641-A644 PolarHBondContact O-N 3.26Å; E642-A644 VanDerWaalsContact C-N 3.3Å; E642-A644 PolarHBondContact O-N 3.08Å; A644-T647 CarbonylContact O-C 3.52Å; A644-T647 PolarHBondContact O-N 3.4Å; A644-A648 WeakPolarHBondContact O-CB 3.29Å; A644-A648 PolarHBondContact O-N 2.83Å |
| 645 | L | 58.9 | Low | 59.3 | Low | 108 Ų | 108 | 116.9 Ų | 116.9 | 57% | 0.565 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67.4 | -41.2 | 176 | -79.8 | 169.1 | 0 | 0 | 0 | 112.4 | L641 E642 T647 A648 A649 | L641-L645 HydrophobicContact CD2-CD1 3.67Å; L641-L645 HydrophobicContact CD2-CG 4.08Å; L641-L645 WeakPolarHBondContact O-CB 3.15Å; L641-L645 WeakPolarHBondContact O-CG 3.41Å; L641-L645 PolarHBondContact O-N 2.96Å; E642-L645 PolarHBondContact O-N 3.08Å; E642-L645 VanDerWaalsContact O-N 3.17Å; L645-T647 PolarHBondContact O-N 3.17Å; L645-A648 PolarHBondContact O-N 3.14Å; L645-A648 VanDerWaalsContact O-N 3.16Å; L645-A649 WeakPolarHBondContact O-CB 3.33Å; L645-A649 PolarHBondContact O-N 3.44Å |
| 646 | L | 58.9 | Low | 57.5 | Low | 116 Ų | 116 | 120.6 Ų | 120.6 | 61% | 0.607 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -57.4 | -39.9 | 170.7 | -110.1 | 73.5 | 0 | 0 | 0 | 111.8 | E642 T650 | E642-L646 PolarHBondContact O-N 3.27Å; L646-T650 PolarHBondContact O-OG1 3.26Å |
| 647 | T | 54.6 | Low | 56.4 | Low | 81 Ų | 81 | 121.3 Ų | 121.3 | 50% | 0.497 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -73.9 | -24.6 | 178.9 | -52.1 | 0 | 0 | 0 | 0 | 112.9 | N643 A644 L645 T650 | N643-T647 WeakPolarHBondContact O-CB 3.15Å; N643-T647 PolarHBondContact O-N 2.94Å; N643-T647 VanDerWaalsContact O-N 3.13Å; N643-T647 PolarHBondContact O-OG1 3.5Å; A644-T647 CarbonylContact O-C 3.52Å; A644-T647 PolarHBondContact O-N 3.4Å; L645-T647 PolarHBondContact O-N 3.17Å; T647-T650 PolarHBondContact O-OG1 2.89Å |
| 648 | A | 50.8 | Low | 55.5 | Low | 56 Ų | 56 | 124.1 Ų | 124.1 | 46% | 0.463 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -84.1 | -38.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A644 L645 T650 R651 | A644-A648 WeakPolarHBondContact O-CB 3.29Å; A644-A648 PolarHBondContact O-N 2.83Å; L645-A648 PolarHBondContact O-N 3.14Å; L645-A648 VanDerWaalsContact O-N 3.16Å; A648-T650 PolarHBondContact O-N 2.94Å; A648-R651 PolarHBondContact O-N 3.39Å |
| 649 | A | 52.1 | Low | 54.3 | Low | 83 Ų | 83 | 122.2 Ų | 122.2 | 69% | 0.686 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -61.5 | -24.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L645 | L645-A649 WeakPolarHBondContact O-CB 3.33Å; L645-A649 PolarHBondContact O-N 3.44Å |
| 650 | T | 50.7 | Low | 53.4 | Low | 114 Ų | 114 | 119.9 Ų | 119.9 | 70% | 0.699 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | 11.2 | -177.5 | 42.5 | 0 | 0 | 0 | 0 | 114.6 | L646 T647 A648 | L646-T650 PolarHBondContact O-OG1 3.26Å; T647-T650 PolarHBondContact O-OG1 2.89Å; A648-T650 PolarHBondContact O-N 2.94Å |
| 651 | R | 46.1 | Very low | 52.5 | Low | 198 Ų | 198 | 121 Ų | 121 | 75% | 0.747 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -125.6 | -7.7 | -174.8 | -83.4 | -177.3 | 168.4 | 167.8 | -0.8 | 117.5 | A648 | A648-R651 PolarHBondContact O-N 3.39Š|
| 652 | N | 43.6 | Very low | 52.2 | Low | 147 Ų | 147 | 121.3 Ų | 121.3 | 79% | 0.786 | 66% | 0.66 | S | S | * | * | trans | -102.9 | 18.2 | -166.7 | -96.7 | 1.1 | 0 | 0 | 0 | 116.1 | Q654 | N652-Q654 PolarHBondContact O-N 3.07Š| ||
| 653 | D | 40.5 | Very low | 51.8 | Low | 168 Ų | 168 | 121.2 Ų | 121.2 | 90% | 0.898 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -73 | 4.1 | 175.2 | -84.1 | -34.8 | 0 | 0 | 0 | 114.4 | ||
| 654 | Q | 40.7 | Very low | 51.5 | Low | 172 Ų | 172 | 121.4 Ų | 121.4 | 80% | 0.804 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -129.8 | 131.3 | -173.3 | -69.9 | -174.2 | -47.7 | 0 | 0 | 114.5 | N652 | N652-Q654 PolarHBondContact O-N 3.07Š|
| 655 | E | 44 | Very low | 51.7 | Low | 196 Ų | 196 | 125.3 Ų | 125.3 | 92% | 0.916 | 67% | 0.67 | S | S | * | * | trans | 80.5 | 120.4 | 164.6 | -52.4 | -159.4 | 151.2 | 0 | 0 | 120 | ||||
| 656 | N | 40.5 | Very low | 52.1 | Low | 148 Ų | 148 | 124.2 Ų | 124.2 | 79% | 0.791 | 67% | 0.665 | S | S | * | * | trans | -78.2 | 135.3 | 177.9 | -76.7 | -69.1 | 0 | 0 | 0 | 112 | ||||
| 657 | N | 50.7 | Low | 52.7 | Low | 130 Ų | 130 | 126.5 Ų | 126.5 | 70% | 0.695 | 67% | 0.666 | S | S | * | * | trans | -153.4 | 110.7 | 151.9 | -109.2 | -52.1 | 0 | 0 | 0 | 112.5 | A659 S660 | N657-A659 VanDerWaalsContact C-N 3.26Å; N657-A659 PolarHBondContact O-N 3.32Å; N657-S660 PolarHBondContact O-N 2.86Å | ||
| 658 | N | 51.3 | Low | 53.4 | Low | 119 Ų | 119 | 127.5 Ų | 127.5 | 64% | 0.636 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -67.3 | -21 | -172.9 | -77.6 | -28.5 | 0 | 0 | 0 | 114.3 | S660 K661 | N658-S660 VanDerWaalsContact C-N 3.32Å; N658-S660 PolarHBondContact O-N 3.25Å; N658-K661 PolarHBondContact O-N 3.45Å |
| 659 | A | 51 | Low | 54.5 | Low | 72 Ų | 72 | 129.1 Ų | 129.1 | 60% | 0.595 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -60.8 | -40 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N657 K661 N662 L663 | N657-A659 VanDerWaalsContact C-N 3.26Å; N657-A659 PolarHBondContact O-N 3.32Å; A659-K661 VanDerWaalsContact C-N 3.3Å; A659-K661 PolarHBondContact O-N 3.29Å; A659-N662 PolarHBondContact O-N 3.04Å; A659-L663 PolarHBondContact O-N 3.49Å |
| 660 | S | 54 | Low | 55.6 | Low | 80 Ų | 80 | 132.2 Ų | 132.2 | 56% | 0.559 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -67.6 | -29.3 | 178.8 | -58.4 | 0 | 0 | 0 | 0 | 112.7 | N657 N658 L664 | N657-S660 PolarHBondContact O-N 2.86Å; N658-S660 VanDerWaalsContact C-N 3.32Å; N658-S660 PolarHBondContact O-N 3.25Å; S660-L664 VanDerWaalsContact O-CB 3.24Å; S660-L664 WeakPolarHBondContact O-CB 3.24Å; S660-L664 PolarHBondContact O-N 2.98Å |
| 661 | K | 52.1 | Low | 56.7 | Low | 153 Ų | 153 | 130.4 Ų | 130.4 | 67% | 0.665 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -64.9 | -46.4 | 177.9 | -102.6 | -179.7 | 176.7 | 174 | 0 | 111.9 | N658 A659 L664 F665 | N658-K661 PolarHBondContact O-N 3.45Å; A659-K661 VanDerWaalsContact C-N 3.3Å; A659-K661 PolarHBondContact O-N 3.29Å; K661-L664 PolarHBondContact O-N 2.83Å; K661-F665 WeakPolarHBondContact O-CB 3.45Å; K661-F665 PolarHBondContact O-N 3.03Å |
| 662 | N | 58.8 | Low | 58 | Low | 117 Ų | 117 | 126 Ų | 126 | 63% | 0.626 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -68.6 | -41.6 | 178.9 | -71.6 | 11.6 | 0 | 0 | 0 | 111.7 | A659 L664 F665 D666 | A659-N662 PolarHBondContact O-N 3.04Å; N662-L664 VanDerWaalsContact C-N 3.26Å; N662-L664 PolarHBondContact O-N 3.46Å; N662-F665 PolarHBondContact O-N 3.1Å; N662-F665 VanDerWaalsContact O-N 3.16Å; N662-D666 WeakPolarHBondContact O-CB 3.24Å; N662-D666 PolarHBondContact O-N 3.36Å |
| 663 | L | 61.3 | Low | 59.6 | Low | 126 Ų | 126 | 125 Ų | 125 | 66% | 0.66 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -60.9 | -33.5 | 175.6 | -103.9 | 164.4 | 0 | 0 | 0 | 113.2 | A659 R667 | A659-L663 PolarHBondContact O-N 3.49Å; L663-R667 WeakPolarHBondContact O-CB 3.16Å; L663-R667 PolarHBondContact O-N 3.19Å |
| 664 | L | 60.4 | Low | 61.4 | Low | 109 Ų | 109 | 119.3 Ų | 119.3 | 57% | 0.571 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -77.6 | -35.3 | 175.8 | -161.7 | 152.7 | 0 | 0 | 0 | 111.5 | S660 K661 N662 R667 L668 | S660-L664 VanDerWaalsContact O-CB 3.24Å; S660-L664 WeakPolarHBondContact O-CB 3.24Å; S660-L664 PolarHBondContact O-N 2.98Å; K661-L664 PolarHBondContact O-N 2.83Å; N662-L664 VanDerWaalsContact C-N 3.26Å; N662-L664 PolarHBondContact O-N 3.46Å; L664-R667 PolarHBondContact O-N 3.25Å; L664-L668 HydrophobicContact CD2-CD1 3.64Å; L664-L668 HydrophobicContact CD2-CG 4.11Å; L664-L668 WeakPolarHBondContact O-CG 3.26Å; L664-L668 PolarHBondContact O-N 3.48Å |
| 665 | F | 63.8 | Low | 63 | Low | 139 Ų | 139 | 116.5 Ų | 116.5 | 61% | 0.61 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.6 | -47.1 | 174.1 | -151.5 | -86 | 0 | 0 | 0 | 112.1 | K661 N662 R667 L668 E669 | K661-F665 WeakPolarHBondContact O-CB 3.45Å; K661-F665 PolarHBondContact O-N 3.03Å; N662-F665 PolarHBondContact O-N 3.1Å; N662-F665 VanDerWaalsContact O-N 3.16Å; F665-R667 PolarHBondContact O-N 2.88Å; F665-L668 PolarHBondContact O-N 3.49Å; F665-E669 PolarHBondContact O-N 3.19Å |
| 666 | D | 68.9 | Low | 64.6 | Low | 85 Ų | 85 | 112.1 Ų | 112.1 | 46% | 0.455 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -56.9 | -34.8 | 172.8 | -88 | 13.4 | 0 | 0 | 0 | 112.5 | N662 R670 | N662-D666 WeakPolarHBondContact O-CB 3.24Å; N662-D666 PolarHBondContact O-N 3.36Å; D666-R670 PolarHBondContact O-N 3.18Å; D666-R670 PolarHBondContact O-NH1 3.27Å |
| 667 | R | 71.3 | Confident | 66.5 | Low | 164 Ų | 164 | 109.4 Ų | 109.4 | 62% | 0.619 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -71.9 | -50.2 | 175.8 | -171.6 | 172.3 | -174.4 | 167.7 | 3.3 | 110.8 | L663 L664 F665 E669 R670 D671 | L663-R667 WeakPolarHBondContact O-CB 3.16Å; L663-R667 PolarHBondContact O-N 3.19Å; L664-R667 PolarHBondContact O-N 3.25Å; F665-R667 PolarHBondContact O-N 2.88Å; R667-E669 VanDerWaalsContact C-N 3.29Å; R667-E669 PolarHBondContact O-N 2.85Å; R667-R670 PolarHBondContact O-N 2.85Å; R667-R670 VanDerWaalsContact O-N 3.14Å; R667-D671 WeakPolarHBondContact CG-OD2 3.25Å; R667-D671 WeakPolarHBondContact O-CB 3.44Å; R667-D671 PolarHBondContact O-N 2.75Å |
| 668 | L | 68.1 | Low | 67.8 | Low | 101 Ų | 101 | 107.5 Ų | 107.5 | 53% | 0.529 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -57.8 | -37.7 | 174.9 | -74.7 | 173.2 | 0 | 0 | 0 | 112.7 | L664 F665 N672 | L664-L668 HydrophobicContact CD2-CD1 3.64Å; L664-L668 HydrophobicContact CD2-CG 4.11Å; L664-L668 WeakPolarHBondContact O-CG 3.26Å; L664-L668 PolarHBondContact O-N 3.48Å; F665-L668 PolarHBondContact O-N 3.49Å; L668-N672 WeakPolarHBondContact O-CB 3.34Å; L668-N672 PolarHBondContact O-N 3.49Å |
| 669 | E | 75 | Confident | 69 | Low | 91 Ų | 91 | 108.4 Ų | 108.4 | 43% | 0.425 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -70.2 | -36.9 | 177.4 | -156.5 | -165 | 122.7 | 0 | 0 | 112.2 | F665 R667 K673 | F665-E669 PolarHBondContact O-N 3.19Å; R667-E669 VanDerWaalsContact C-N 3.29Å; R667-E669 PolarHBondContact O-N 2.85Å; E669-K673 WeakPolarHBondContact O-CB 3.3Å; E669-K673 WeakPolarHBondContact O-CG 3.31Å; E669-K673 PolarHBondContact O-N 2.71Å; E669-K673 WeakPolarHBondContact OE1-CE 3.26Å; E669-K673 IonicContact OE1-NZ 2.6Å; E669-K673 PolarHBondContact OE1-NZ 2.87Å |
| 670 | R | 74.1 | Confident | 70.6 | Confident | 147 Ų | 147 | 111 Ų | 111 | 56% | 0.555 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65 | -46.9 | 172.7 | -118.4 | 175.6 | -84.1 | 103.5 | -1.9 | 111.6 | D666 R667 K673 A674 | D666-R670 PolarHBondContact O-N 3.18Å; D666-R670 PolarHBondContact O-NH1 3.27Å; R667-R670 PolarHBondContact O-N 2.85Å; R667-R670 VanDerWaalsContact O-N 3.14Å; R670-K673 PolarHBondContact O-N 2.67Å; R670-A674 PolarHBondContact O-N 3.05Å |
| 671 | D | 74 | Confident | 72 | Confident | 77 Ų | 77 | 112.3 Ų | 112.3 | 41% | 0.412 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.7 | -37.9 | -178.6 | -61.7 | -14.2 | 0 | 0 | 0 | 110.8 | R667 A674 L675 | R667-D671 WeakPolarHBondContact CG-OD2 3.25Å; R667-D671 WeakPolarHBondContact O-CB 3.44Å; R667-D671 PolarHBondContact O-N 2.75Å; D671-A674 PolarHBondContact O-N 2.78Å; D671-L675 WeakPolarHBondContact O-CB 3.37Å; D671-L675 WeakPolarHBondContact O-CG 3.48Å; D671-L675 PolarHBondContact O-N 2.79Å |
| 672 | N | 73.7 | Confident | 73.3 | Confident | 105 Ų | 105 | 110.3 Ų | 110.3 | 56% | 0.561 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -68.7 | -36.3 | 174.3 | -166.3 | 8.8 | 0 | 0 | 0 | 112.2 | L668 L675 L676 | L668-N672 WeakPolarHBondContact O-CB 3.34Å; L668-N672 PolarHBondContact O-N 3.49Å; N672-L675 PolarHBondContact O-N 3.33Å; N672-L676 WeakPolarHBondContact O-CB 3.31Å; N672-L676 PolarHBondContact O-N 2.95Å |
| 673 | K | 78.7 | Confident | 74.4 | Confident | 125 Ų | 125 | 108.2 Ų | 108.2 | 54% | 0.543 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.7 | -39.4 | 171 | -81.3 | 169 | 172.5 | 167.2 | 0 | 112.3 | E669 R670 L676 V677 | E669-K673 WeakPolarHBondContact O-CB 3.3Å; E669-K673 WeakPolarHBondContact O-CG 3.31Å; E669-K673 PolarHBondContact O-N 2.71Å; E669-K673 WeakPolarHBondContact OE1-CE 3.26Å; E669-K673 IonicContact OE1-NZ 2.6Å; E669-K673 PolarHBondContact OE1-NZ 2.87Å; R670-K673 PolarHBondContact O-N 2.67Å; K673-L676 PolarHBondContact O-N 3.06Å; K673-V677 WeakPolarHBondContact O-CG2 3.48Å; K673-V677 PolarHBondContact O-N 3.12Å; K673-V677 VanDerWaalsContact O-N 3.16Å |
| 674 | A | 76.2 | Confident | 75.5 | Confident | 50 Ų | 50 | 107.1 Ų | 107.1 | 41% | 0.413 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63 | -48.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | R670 D671 L676 V677 D678 | R670-A674 PolarHBondContact O-N 3.05Å; D671-A674 PolarHBondContact O-N 2.78Å; A674-L676 VanDerWaalsContact C-N 3.26Å; A674-L676 PolarHBondContact O-N 3.06Å; A674-V677 PolarHBondContact O-N 2.76Å; A674-V677 VanDerWaalsContact O-N 3.08Å; A674-D678 PolarHBondContact O-N 2.78Å |
| 675 | L | 74.5 | Confident | 76.6 | Confident | 113 Ų | 113 | 106.8 Ų | 106.8 | 59% | 0.592 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61 | -31 | 175.6 | -74.3 | 166.2 | 0 | 0 | 0 | 113.2 | D671 N672 K679 | D671-L675 WeakPolarHBondContact O-CB 3.37Å; D671-L675 WeakPolarHBondContact O-CG 3.48Å; D671-L675 PolarHBondContact O-N 2.79Å; N672-L675 PolarHBondContact O-N 3.33Å; L675-K679 WeakPolarHBondContact O-CB 3.34Å; L675-K679 PolarHBondContact O-N 2.74Å |
| 676 | L | 79.1 | Confident | 77.3 | Confident | 103 Ų | 103 | 103.6 Ų | 103.6 | 54% | 0.539 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.9 | -40.8 | 173.9 | -149.1 | 84 | 0 | 0 | 0 | 111.7 | N672 K673 A674 Q680 | N672-L676 WeakPolarHBondContact O-CB 3.31Å; N672-L676 PolarHBondContact O-N 2.95Å; K673-L676 PolarHBondContact O-N 3.06Å; A674-L676 VanDerWaalsContact C-N 3.26Å; A674-L676 PolarHBondContact O-N 3.06Å; L676-Q680 WeakPolarHBondContact O-CB 3.32Å; L676-Q680 PolarHBondContact O-N 3.25Å |
| 677 | V | 80.7 | Confident | 78 | Confident | 92 Ų | 92 | 102.7 Ų | 102.7 | 56% | 0.558 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.9 | -47.1 | 175.1 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | K673 A674 K679 Q680 L681 | K673-V677 WeakPolarHBondContact O-CG2 3.48Å; K673-V677 PolarHBondContact O-N 3.12Å; K673-V677 VanDerWaalsContact O-N 3.16Å; A674-V677 PolarHBondContact O-N 2.76Å; A674-V677 VanDerWaalsContact O-N 3.08Å; V677-K679 PolarHBondContact O-N 2.93Å; V677-Q680 PolarHBondContact O-N 2.72Å; V677-Q680 VanDerWaalsContact O-N 3.14Å; V677-L681 WeakPolarHBondContact O-CB 3.24Å; V677-L681 PolarHBondContact O-N 3.03Å |
| 678 | D | 76.4 | Confident | 78.6 | Confident | 89 Ų | 89 | 97.9 Ų | 97.9 | 48% | 0.476 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 176.4 | -79.4 | -13 | 0 | 0 | 0 | 111.5 | A674 Q680 L681 L682 | A674-D678 PolarHBondContact O-N 2.78Å; D678-Q680 VanDerWaalsContact C-N 3.31Å; D678-Q680 PolarHBondContact O-N 3.39Å; D678-L681 PolarHBondContact O-N 3.27Å; D678-L682 VanDerWaalsContact O-CB 3.3Å; D678-L682 WeakPolarHBondContact O-CB 3.41Å; D678-L682 VanDerWaalsContact O-CG 3.28Å; D678-L682 WeakPolarHBondContact O-CG 3.2Å; D678-L682 PolarHBondContact O-N 2.86Å |
| 679 | K | 77.9 | Confident | 79.3 | Confident | 139 Ų | 139 | 98 Ų | 98 | 60% | 0.604 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -58.7 | -42.9 | 172.5 | 178.9 | -179.1 | 177.1 | -178 | 0 | 111.5 | L675 V677 T683 | L675-K679 WeakPolarHBondContact O-CB 3.34Å; L675-K679 PolarHBondContact O-N 2.74Å; V677-K679 PolarHBondContact O-N 2.93Å; K679-T683 WeakPolarHBondContact O-CB 3.37Å; K679-T683 PolarHBondContact O-N 2.73Å; K679-T683 PolarHBondContact O-OG1 3.4Å |
| 680 | Q | 83.4 | Confident | 79.7 | Confident | 125 Ų | 125 | 98.5 Ų | 98.5 | 58% | 0.584 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -72.5 | -35.1 | -178.9 | -163.8 | 161.6 | 4.8 | 0 | 0 | 111.7 | L676 V677 D678 T683 N684 | L676-Q680 WeakPolarHBondContact O-CB 3.32Å; L676-Q680 PolarHBondContact O-N 3.25Å; V677-Q680 PolarHBondContact O-N 2.72Å; V677-Q680 VanDerWaalsContact O-N 3.14Å; D678-Q680 VanDerWaalsContact C-N 3.31Å; D678-Q680 PolarHBondContact O-N 3.39Å; Q680-T683 PolarHBondContact O-N 3Å; Q680-N684 VanDerWaalsContact O-CG 3.26Å; Q680-N684 PolarHBondContact O-N 3.4Å |
| 681 | L | 83.9 | Confident | 80.1 | Confident | 109 Ų | 109 | 95.1 Ų | 95.1 | 57% | 0.571 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68 | -40.6 | 173.1 | -168.5 | 145.2 | 0 | 0 | 0 | 111.8 | V677 D678 N684 K685 | V677-L681 WeakPolarHBondContact O-CB 3.24Å; V677-L681 PolarHBondContact O-N 3.03Å; D678-L681 PolarHBondContact O-N 3.27Å; L681-N684 PolarHBondContact O-N 2.95Å; L681-K685 WeakPolarHBondContact O-CB 3.27Å; L681-K685 PolarHBondContact O-N 3.19Å |
| 682 | L | 78.6 | Confident | 80.7 | Confident | 111 Ų | 111 | 98.6 Ų | 98.6 | 58% | 0.581 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.6 | -37.9 | 170.5 | -74.4 | 168.1 | 0 | 0 | 0 | 112.3 | D678 K685 V686 | D678-L682 VanDerWaalsContact O-CB 3.3Å; D678-L682 WeakPolarHBondContact O-CB 3.41Å; D678-L682 VanDerWaalsContact O-CG 3.28Å; D678-L682 WeakPolarHBondContact O-CG 3.2Å; D678-L682 PolarHBondContact O-N 2.86Å; L682-K685 CarbonylContact O-C 3.57Å; L682-K685 WeakPolarHBondContact O-CA 3.36Å; L682-K685 WeakPolarHBondContact O-CB 3.3Å; L682-K685 PolarHBondContact O-N 3.17Å; L682-K685 VanDerWaalsContact O-N 3.09Å; L682-V686 WeakPolarHBondContact O-CG2 3.28Å; L682-V686 PolarHBondContact O-N 3.21Å |
| 683 | T | 82.2 | Confident | 81.1 | Confident | 73 Ų | 73 | 98.5 Ų | 98.5 | 45% | 0.448 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 175.7 | -56.4 | 0 | 0 | 0 | 0 | 110.5 | K679 Q680 K685 V686 T687 | K679-T683 WeakPolarHBondContact O-CB 3.37Å; K679-T683 PolarHBondContact O-N 2.73Å; K679-T683 PolarHBondContact O-OG1 3.4Å; Q680-T683 PolarHBondContact O-N 3Å; T683-K685 VanDerWaalsContact C-N 3.25Å; T683-K685 PolarHBondContact O-N 3.5Å; T683-V686 PolarHBondContact O-N 3.42Å; T683-T687 PolarHBondContact O-N 3.27Å; T683-T687 PolarHBondContact O-OG1 3.14Å |
| 684 | N | 84 | Confident | 81.3 | Confident | 102 Ų | 102 | 98.7 Ų | 98.7 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.4 | -31.7 | 172.3 | -66.9 | -12.3 | 0 | 0 | 0 | 112.1 | Q680 L681 T687 E688 | Q680-N684 VanDerWaalsContact O-CG 3.26Å; Q680-N684 PolarHBondContact O-N 3.4Å; L681-N684 PolarHBondContact O-N 2.95Å; N684-T687 PolarHBondContact O-OG1 3.21Å; N684-E688 WeakPolarHBondContact O-CB 3.36Å; N684-E688 PolarHBondContact O-N 3.12Å |
| 685 | K | 85.1 | Confident | 81.7 | Confident | 102 Ų | 102 | 99.7 Ų | 99.7 | 44% | 0.443 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70.6 | -36.4 | 174.8 | -154.7 | 73 | -170.2 | 160.2 | 0 | 112.5 | L681 L682 T683 E688 L689 | L681-K685 WeakPolarHBondContact O-CB 3.27Å; L681-K685 PolarHBondContact O-N 3.19Å; L682-K685 CarbonylContact O-C 3.57Å; L682-K685 WeakPolarHBondContact O-CA 3.36Å; L682-K685 WeakPolarHBondContact O-CB 3.3Å; L682-K685 PolarHBondContact O-N 3.17Å; L682-K685 VanDerWaalsContact O-N 3.09Å; T683-K685 VanDerWaalsContact C-N 3.25Å; T683-K685 PolarHBondContact O-N 3.5Å; K685-E688 WeakPolarHBondContact CE-OE2 3.33Å; K685-E688 IonicContact NZ-OE2 3.91Å; K685-E688 PolarHBondContact NZ-OE2 3.46Å; K685-L689 WeakPolarHBondContact O-CB 3.24Å; K685-L689 VanDerWaalsContact O-CG 3.27Å; K685-L689 WeakPolarHBondContact O-CG 3.45Å; K685-L689 PolarHBondContact O-N 3.04Å |
| 686 | V | 78.1 | Confident | 82 | Confident | 73 Ų | 73 | 96.7 Ų | 96.7 | 44% | 0.442 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.1 | -47.9 | 174 | 169.9 | 0 | 0 | 0 | 0 | 110.3 | L682 T683 E688 L689 E690 | L682-V686 WeakPolarHBondContact O-CG2 3.28Å; L682-V686 PolarHBondContact O-N 3.21Å; T683-V686 PolarHBondContact O-N 3.42Å; V686-E688 VanDerWaalsContact C-N 3.32Å; V686-E688 PolarHBondContact O-N 3.26Å; V686-L689 CarbonylContact O-C 3.58Å; V686-L689 WeakPolarHBondContact O-CA 3.49Å; V686-L689 WeakPolarHBondContact O-CB 3.41Å; V686-L689 PolarHBondContact O-N 2.88Å; V686-E690 HydrophobicContact CG1-CG 4.22Å; V686-E690 WeakPolarHBondContact O-CG 3.44Å; V686-E690 PolarHBondContact O-N 2.9Å |
| 687 | T | 83 | Confident | 82.2 | Confident | 65 Ų | 65 | 97 Ų | 97 | 40% | 0.399 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.5 | -30.3 | 178 | 57.2 | 0 | 0 | 0 | 0 | 113 | T683 N684 T691 | T683-T687 PolarHBondContact O-N 3.27Å; T683-T687 PolarHBondContact O-OG1 3.14Å; N684-T687 PolarHBondContact O-OG1 3.21Å; T687-T691 WeakPolarHBondContact O-CB 3.29Å; T687-T691 WeakPolarHBondContact O-CG2 3.4Å; T687-T691 PolarHBondContact O-N 3.31Å; T687-T691 PolarHBondContact O-OG1 2.86Å |
| 688 | E | 84.3 | Confident | 82.4 | Confident | 64 Ų | 64 | 95.6 Ų | 95.6 | 30% | 0.299 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.2 | -39.3 | 167.7 | -165.7 | -163.8 | 172.6 | 0 | 0 | 111.9 | N684 K685 V686 T691 R692 | N684-E688 WeakPolarHBondContact O-CB 3.36Å; N684-E688 PolarHBondContact O-N 3.12Å; K685-E688 WeakPolarHBondContact CE-OE2 3.33Å; K685-E688 IonicContact NZ-OE2 3.91Å; K685-E688 PolarHBondContact NZ-OE2 3.46Å; V686-E688 VanDerWaalsContact C-N 3.32Å; V686-E688 PolarHBondContact O-N 3.26Å; E688-T691 PolarHBondContact O-OG1 3Å; E688-T691 VanDerWaalsContact O-OG1 3.12Å; E688-R692 WeakPolarHBondContact O-CB 3.38Å; E688-R692 VanDerWaalsContact O-CD 3.31Å; E688-R692 WeakPolarHBondContact O-CD 3.17Å; E688-R692 WeakPolarHBondContact O-CG 3.24Å; E688-R692 PolarHBondContact O-N 3.07Å; E688-R692 VanDerWaalsContact O-N 3.09Å; E688-R692 IonicContact OE1-CZ 3.71Å; E688-R692 VanDerWaalsContact OE1-CZ 3.29Å; E688-R692 IonicContact OE1-NE 2.89Å; E688-R692 PolarHBondContact OE1-NE 3.32Å; E688-R692 VanDerWaalsContact OE1-NE 3.16Å; E688-R692 IonicContact OE1-NH2 2.94Å; E688-R692 PolarHBondContact OE1-NH2 3.05Å |
| 689 | L | 81.8 | Confident | 82.8 | Confident | 102 Ų | 102 | 96.9 Ų | 96.9 | 53% | 0.534 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -74.6 | -37.4 | 177.9 | -72.4 | 169 | 0 | 0 | 0 | 112.6 | K685 V686 R692 L693 | K685-L689 WeakPolarHBondContact O-CB 3.24Å; K685-L689 VanDerWaalsContact O-CG 3.27Å; K685-L689 WeakPolarHBondContact O-CG 3.45Å; K685-L689 PolarHBondContact O-N 3.04Å; V686-L689 CarbonylContact O-C 3.58Å; V686-L689 WeakPolarHBondContact O-CA 3.49Å; V686-L689 WeakPolarHBondContact O-CB 3.41Å; V686-L689 PolarHBondContact O-N 2.88Å; L689-R692 PolarHBondContact O-N 2.9Å; L689-L693 WeakPolarHBondContact O-CB 3.31Å; L689-L693 PolarHBondContact O-N 3.26Å |
| 690 | E | 83.8 | Confident | 83 | Confident | 102 Ų | 102 | 97.8 Ų | 97.8 | 48% | 0.477 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.1 | -43.7 | 175.3 | -71.2 | 169.8 | 156.4 | 0 | 0 | 111.5 | V686 L693 Q694 | V686-E690 HydrophobicContact CG1-CG 4.22Å; V686-E690 WeakPolarHBondContact O-CG 3.44Å; V686-E690 PolarHBondContact O-N 2.9Å; E690-L693 WeakPolarHBondContact O-CB 3.17Å; E690-L693 PolarHBondContact O-N 2.86Å; E690-Q694 WeakPolarHBondContact O-CG 3.1Å; E690-Q694 PolarHBondContact O-N 3.44Å |
| 691 | T | 83 | Confident | 83 | Confident | 76 Ų | 76 | 94.3 Ų | 94.3 | 47% | 0.466 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.9 | -37 | 175.3 | 48.8 | 0 | 0 | 0 | 0 | 112.3 | T687 E688 T695 | T687-T691 WeakPolarHBondContact O-CB 3.29Å; T687-T691 WeakPolarHBondContact O-CG2 3.4Å; T687-T691 PolarHBondContact O-N 3.31Å; T687-T691 PolarHBondContact O-OG1 2.86Å; E688-T691 PolarHBondContact O-OG1 3Å; E688-T691 VanDerWaalsContact O-OG1 3.12Å; T691-T695 WeakPolarHBondContact O-CB 3.14Å; T691-T695 PolarHBondContact O-N 3.36Å; T691-T695 PolarHBondContact O-OG1 2.96Å |
| 692 | R | 86 | Confident | 83 | Confident | 151 Ų | 151 | 94 Ų | 94 | 57% | 0.57 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.3 | -38.9 | 169.3 | -74.7 | 166.8 | -179.3 | -114 | 6.4 | 112.1 | E688 L689 T695 A696 | E688-R692 WeakPolarHBondContact O-CB 3.38Å; E688-R692 VanDerWaalsContact O-CD 3.31Å; E688-R692 WeakPolarHBondContact O-CD 3.17Å; E688-R692 WeakPolarHBondContact O-CG 3.24Å; E688-R692 PolarHBondContact O-N 3.07Å; E688-R692 VanDerWaalsContact O-N 3.09Å; E688-R692 IonicContact OE1-CZ 3.71Å; E688-R692 VanDerWaalsContact OE1-CZ 3.29Å; E688-R692 IonicContact OE1-NE 2.89Å; E688-R692 PolarHBondContact OE1-NE 3.32Å; E688-R692 VanDerWaalsContact OE1-NE 3.16Å; E688-R692 IonicContact OE1-NH2 2.94Å; E688-R692 PolarHBondContact OE1-NH2 3.05Å; L689-R692 PolarHBondContact O-N 2.9Å; R692-T695 WeakPolarHBondContact O-CB 3.15Å; R692-T695 PolarHBondContact O-N 3.41Å; R692-A696 PolarHBondContact O-N 3.08Å |
| 693 | L | 81.5 | Confident | 83.3 | Confident | 102 Ų | 102 | 94.4 Ų | 94.4 | 53% | 0.534 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.3 | -51.5 | 177.1 | -175.2 | 70.3 | 0 | 0 | 0 | 110.9 | L689 E690 T695 A696 E697 | L689-L693 WeakPolarHBondContact O-CB 3.31Å; L689-L693 PolarHBondContact O-N 3.26Å; E690-L693 WeakPolarHBondContact O-CB 3.17Å; E690-L693 PolarHBondContact O-N 2.86Å; L693-T695 PolarHBondContact O-N 2.92Å; L693-A696 CarbonylContact O-C 3.47Å; L693-A696 WeakPolarHBondContact O-CA 3.46Å; L693-A696 WeakPolarHBondContact O-CB 3.29Å; L693-A696 PolarHBondContact O-N 3.45Å; L693-E697 HydrophobicContact CG-CG 4.49Å; L693-E697 WeakPolarHBondContact O-CG 3.37Å; L693-E697 PolarHBondContact O-N 3.38Å |
| 694 | Q | 83.7 | Confident | 83.4 | Confident | 130 Ų | 130 | 95.1 Ų | 95.1 | 61% | 0.607 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59 | -35.7 | 175.3 | -71.4 | 178.9 | -11.9 | 0 | 0 | 112.3 | E690 E697 S698 | E690-Q694 WeakPolarHBondContact O-CG 3.1Å; E690-Q694 PolarHBondContact O-N 3.44Å; Q694-E697 PolarHBondContact O-N 3.49Å; Q694-S698 PolarHBondContact O-N 2.86Å; Q694-S698 PolarHBondContact O-OG 3.45Å |
| 695 | T | 84.2 | Confident | 83.5 | Confident | 70 Ų | 70 | 95.7 Ų | 95.7 | 43% | 0.429 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.4 | -45.2 | 173.1 | -55.4 | 0 | 0 | 0 | 0 | 111 | T691 R692 L693 S698 Q699 | T691-T695 WeakPolarHBondContact O-CB 3.14Å; T691-T695 PolarHBondContact O-N 3.36Å; T691-T695 PolarHBondContact O-OG1 2.96Å; R692-T695 WeakPolarHBondContact O-CB 3.15Å; R692-T695 PolarHBondContact O-N 3.41Å; L693-T695 PolarHBondContact O-N 2.92Å; T695-S698 PolarHBondContact O-N 3.24Å; T695-S698 PolarHBondContact O-OG 2.93Å; T695-Q699 WeakPolarHBondContact O-CB 3.5Å; T695-Q699 VanDerWaalsContact O-CG 3.32Å; T695-Q699 WeakPolarHBondContact O-CG 3.19Å; T695-Q699 PolarHBondContact O-N 2.84Å |
| 696 | A | 80.4 | Confident | 83.5 | Confident | 50 Ų | 50 | 93.4 Ų | 93.4 | 41% | 0.413 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.9 | -35.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R692 L693 Q699 R700 | R692-A696 PolarHBondContact O-N 3.08Å; L693-A696 CarbonylContact O-C 3.47Å; L693-A696 WeakPolarHBondContact O-CA 3.46Å; L693-A696 WeakPolarHBondContact O-CB 3.29Å; L693-A696 PolarHBondContact O-N 3.45Å; A696-Q699 PolarHBondContact O-N 2.85Å; A696-R700 VanDerWaalsContact O-CB 3.32Å; A696-R700 WeakPolarHBondContact O-CB 3.1Å; A696-R700 PolarHBondContact O-N 2.6Å |
| 697 | E | 84.2 | Confident | 83.8 | Confident | 109 Ų | 109 | 94.3 Ų | 94.3 | 51% | 0.509 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.2 | -41.4 | 175.7 | -72.2 | 176.5 | 154 | 0 | 0 | 111.9 | L693 Q694 R700 A701 | L693-E697 HydrophobicContact CG-CG 4.49Å; L693-E697 WeakPolarHBondContact O-CG 3.37Å; L693-E697 PolarHBondContact O-N 3.38Å; Q694-E697 PolarHBondContact O-N 3.49Å; E697-R700 PolarHBondContact O-N 3.1Å; E697-A701 WeakPolarHBondContact O-CB 3.46Å; E697-A701 PolarHBondContact O-N 2.78Å |
| 698 | S | 84 | Confident | 83.8 | Confident | 63 Ų | 63 | 97 Ų | 97 | 44% | 0.441 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.9 | -37.8 | 173.1 | 63.6 | 0 | 0 | 0 | 0 | 112.6 | Q694 T695 A701 N702 | Q694-S698 PolarHBondContact O-N 2.86Å; Q694-S698 PolarHBondContact O-OG 3.45Å; T695-S698 PolarHBondContact O-N 3.24Å; T695-S698 PolarHBondContact O-OG 2.93Å; S698-A701 PolarHBondContact O-N 3.44Å; S698-N702 WeakPolarHBondContact O-CB 3.43Å; S698-N702 VanDerWaalsContact O-CG 3.22Å; S698-N702 PolarHBondContact O-N 3.1Å; S698-N702 PolarHBondContact O-ND2 2.87Å |
| 699 | Q | 85.4 | Confident | 83.9 | Confident | 117 Ų | 117 | 97.8 Ų | 97.8 | 55% | 0.547 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 171.4 | -73.5 | 176.9 | 3.6 | 0 | 0 | 111.9 | T695 A696 N702 L703 | T695-Q699 WeakPolarHBondContact O-CB 3.5Å; T695-Q699 VanDerWaalsContact O-CG 3.32Å; T695-Q699 WeakPolarHBondContact O-CG 3.19Å; T695-Q699 PolarHBondContact O-N 2.84Å; A696-Q699 PolarHBondContact O-N 2.85Å; Q699-N702 PolarHBondContact O-N 2.93Å; Q699-L703 WeakPolarHBondContact O-CB 3.34Å; Q699-L703 WeakPolarHBondContact O-CG 3.32Å; Q699-L703 PolarHBondContact O-N 2.74Å |
| 700 | R | 83.3 | Confident | 84 | Confident | 158 Ų | 158 | 100.3 Ų | 100.3 | 60% | 0.596 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.1 | -45.7 | 174.2 | 178.5 | -178.9 | 165.6 | -151.9 | -16.1 | 111.6 | A696 E697 N702 L703 E704 | A696-R700 VanDerWaalsContact O-CB 3.32Å; A696-R700 WeakPolarHBondContact O-CB 3.1Å; A696-R700 PolarHBondContact O-N 2.6Å; E697-R700 PolarHBondContact O-N 3.1Å; R700-N702 VanDerWaalsContact C-N 3.34Å; R700-N702 PolarHBondContact O-N 2.85Å; R700-L703 PolarHBondContact O-N 3.45Å; R700-L703 VanDerWaalsContact O-N 3.14Å; R700-E704 HydrophobicContact CG-CG 4.39Å; R700-E704 IonicContact CZ-OE1 3.68Å; R700-E704 IonicContact NE-OE1 2.7Å; R700-E704 PolarHBondContact NE-OE1 2.82Å; R700-E704 IonicContact NH2-OE1 3.35Å; R700-E704 PolarHBondContact NH2-OE1 3.35Å; R700-E704 IonicContact NH2-OE2 3.48Å; R700-E704 WeakPolarHBondContact O-CG 3.46Å; R700-E704 PolarHBondContact O-N 3.06Å |
| 701 | A | 82.5 | Confident | 84 | Confident | 52 Ų | 52 | 100.8 Ų | 100.8 | 43% | 0.43 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.6 | -43 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | E697 S698 L703 E704 Q705 | E697-A701 WeakPolarHBondContact O-CB 3.46Å; E697-A701 PolarHBondContact O-N 2.78Å; S698-A701 PolarHBondContact O-N 3.44Å; A701-L703 VanDerWaalsContact C-N 3.33Å; A701-L703 PolarHBondContact O-N 3.39Å; A701-E704 PolarHBondContact O-N 2.88Å; A701-Q705 WeakPolarHBondContact O-CB 3.35Å; A701-Q705 PolarHBondContact O-N 3.32Å |
| 702 | N | 84.7 | Confident | 84.1 | Confident | 103 Ų | 103 | 103 Ų | 103 | 55% | 0.551 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.4 | -38 | 174 | -69.9 | -20.9 | 0 | 0 | 0 | 112.3 | S698 Q699 R700 C706 | S698-N702 WeakPolarHBondContact O-CB 3.43Å; S698-N702 VanDerWaalsContact O-CG 3.22Å; S698-N702 PolarHBondContact O-N 3.1Å; S698-N702 PolarHBondContact O-ND2 2.87Å; Q699-N702 PolarHBondContact O-N 2.93Å; R700-N702 VanDerWaalsContact C-N 3.34Å; R700-N702 PolarHBondContact O-N 2.85Å; N702-C706 VanDerWaalsContact O-CB 3.25Å; N702-C706 WeakPolarHBondContact O-CB 3.3Å; N702-C706 PolarHBondContact O-N 3.35Å |
| 703 | L | 83.9 | Confident | 83.9 | Confident | 119 Ų | 119 | 101.5 Ų | 101.5 | 62% | 0.623 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -70.2 | -40.7 | 175.5 | -74.7 | 168.7 | 0 | 0 | 0 | 112.3 | Q699 R700 A701 C706 V707 | Q699-L703 WeakPolarHBondContact O-CB 3.34Å; Q699-L703 WeakPolarHBondContact O-CG 3.32Å; Q699-L703 PolarHBondContact O-N 2.74Å; R700-L703 PolarHBondContact O-N 3.45Å; R700-L703 VanDerWaalsContact O-N 3.14Å; A701-L703 VanDerWaalsContact C-N 3.33Å; A701-L703 PolarHBondContact O-N 3.39Å; L703-C706 WeakPolarHBondContact O-CB 3.3Å; L703-C706 PolarHBondContact O-N 3.24Å; L703-V707 WeakPolarHBondContact O-CG2 3.46Å; L703-V707 PolarHBondContact O-N 3.33Å |
| 704 | E | 84.3 | Confident | 83.9 | Confident | 88 Ų | 88 | 100.2 Ų | 100.2 | 41% | 0.411 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 175.3 | -74 | 176.8 | 175.2 | 0 | 0 | 111.1 | R700 A701 V707 Q708 | R700-E704 HydrophobicContact CG-CG 4.39Å; R700-E704 IonicContact CZ-OE1 3.68Å; R700-E704 IonicContact NE-OE1 2.7Å; R700-E704 PolarHBondContact NE-OE1 2.82Å; R700-E704 IonicContact NH2-OE1 3.35Å; R700-E704 PolarHBondContact NH2-OE1 3.35Å; R700-E704 IonicContact NH2-OE2 3.48Å; R700-E704 WeakPolarHBondContact O-CG 3.46Å; R700-E704 PolarHBondContact O-N 3.06Å; A701-E704 PolarHBondContact O-N 2.88Å; E704-V707 PolarHBondContact O-N 3.07Å; E704-Q708 WeakPolarHBondContact O-CG 3.42Å; E704-Q708 PolarHBondContact O-N 2.75Å |
| 705 | Q | 85.2 | Confident | 83.9 | Confident | 113 Ų | 113 | 99.2 Ų | 99.2 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.3 | -38.5 | 171.5 | -170.9 | 179.5 | 14 | 0 | 0 | 112.2 | A701 Q708 N709 | A701-Q705 WeakPolarHBondContact O-CB 3.35Å; A701-Q705 PolarHBondContact O-N 3.32Å; Q705-Q708 PolarHBondContact O-N 2.88Å; Q705-N709 PolarHBondContact O-N 3.35Å |
| 706 | C | 85.8 | Confident | 84 | Confident | 55 Ų | 55 | 101.1 Ų | 101.1 | 37% | 0.372 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.8 | -40.8 | 176.8 | -164 | 0 | 0 | 0 | 0 | 111.7 | N702 L703 N709 Y710 | N702-C706 VanDerWaalsContact O-CB 3.25Å; N702-C706 WeakPolarHBondContact O-CB 3.3Å; N702-C706 PolarHBondContact O-N 3.35Å; L703-C706 WeakPolarHBondContact O-CB 3.3Å; L703-C706 PolarHBondContact O-N 3.24Å; C706-N709 PolarHBondContact O-N 3.21Å; C706-Y710 VanDerWaalsContact O-CD2 3.22Å; C706-Y710 WeakPolarHBondContact O-CD2 3.49Å; C706-Y710 PolarHBondContact O-N 2.75Å |
| 707 | V | 84.2 | Confident | 84.2 | Confident | 92 Ų | 92 | 104.9 Ų | 104.9 | 56% | 0.558 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.5 | -42.6 | 173 | 169.7 | 0 | 0 | 0 | 0 | 111.4 | L703 E704 N709 Y710 Q711 | L703-V707 WeakPolarHBondContact O-CG2 3.46Å; L703-V707 PolarHBondContact O-N 3.33Å; E704-V707 PolarHBondContact O-N 3.07Å; V707-N709 PolarHBondContact O-N 2.88Å; V707-Y710 PolarHBondContact O-N 2.8Å; V707-Q711 WeakPolarHBondContact O-CB 3.45Å; V707-Q711 PolarHBondContact O-N 3.46Å |
| 708 | Q | 83.8 | Confident | 84.1 | Confident | 121 Ų | 121 | 105.1 Ų | 105.1 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.2 | -43.2 | 174.6 | -74.3 | 176.2 | 3.9 | 0 | 0 | 112.1 | E704 Q705 Q711 Q712 | E704-Q708 WeakPolarHBondContact O-CG 3.42Å; E704-Q708 PolarHBondContact O-N 2.75Å; Q705-Q708 PolarHBondContact O-N 2.88Å; Q708-Q711 PolarHBondContact O-N 2.88Å; Q708-Q712 WeakPolarHBondContact O-CG 3.45Å; Q708-Q712 PolarHBondContact O-N 2.7Å |
| 709 | N | 85.3 | Confident | 84.2 | Confident | 80 Ų | 80 | 106 Ų | 106 | 43% | 0.428 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 175.1 | -75.4 | -4.8 | 0 | 0 | 0 | 112.1 | Q705 C706 V707 Q711 Q712 Q713 | Q705-N709 PolarHBondContact O-N 3.35Å; C706-N709 PolarHBondContact O-N 3.21Å; V707-N709 PolarHBondContact O-N 2.88Å; N709-Q711 VanDerWaalsContact C-N 3.34Å; N709-Q712 PolarHBondContact O-N 2.83Å; N709-Q713 WeakPolarHBondContact O-CB 3.21Å; N709-Q713 WeakPolarHBondContact O-CG 3.28Å; N709-Q713 PolarHBondContact O-N 3.45Å |
| 710 | Y | 84.2 | Confident | 84.1 | Confident | 155 Ų | 155 | 105.5 Ų | 105.5 | 61% | 0.608 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65 | -36.9 | 175.3 | -84.4 | -61.2 | 0 | 0 | 0 | 112.5 | C706 V707 Q713 S714 | C706-Y710 VanDerWaalsContact O-CD2 3.22Å; C706-Y710 WeakPolarHBondContact O-CD2 3.49Å; C706-Y710 PolarHBondContact O-N 2.75Å; V707-Y710 PolarHBondContact O-N 2.8Å; Y710-Q713 PolarHBondContact O-N 2.98Å; Y710-S714 WeakPolarHBondContact O-CB 3.18Å; Y710-S714 PolarHBondContact O-N 3.35Å |
| 711 | Q | 84.9 | Confident | 84.2 | Confident | 113 Ų | 113 | 101.1 Ų | 101.1 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68 | -44.5 | 176.6 | -174.9 | 170.4 | -23.6 | 0 | 0 | 111.2 | V707 Q708 N709 Q713 S714 E715 | V707-Q711 WeakPolarHBondContact O-CB 3.45Å; V707-Q711 PolarHBondContact O-N 3.46Å; Q708-Q711 PolarHBondContact O-N 2.88Å; N709-Q711 VanDerWaalsContact C-N 3.34Å; Q711-Q713 PolarHBondContact O-N 3.24Å; Q711-S714 WeakPolarHBondContact O-CB 3.41Å; Q711-S714 PolarHBondContact O-N 3.12Å; Q711-S714 VanDerWaalsContact O-N 3.15Å; Q711-E715 WeakPolarHBondContact CG-OE1 3.44Å; Q711-E715 PolarHBondContact NE2-OE1 3.28Å; Q711-E715 WeakPolarHBondContact O-CG 3.26Å; Q711-E715 PolarHBondContact O-N 2.78Å |
| 712 | Q | 84.9 | Confident | 84.3 | Confident | 122 Ų | 122 | 103.2 Ų | 103.2 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.8 | -43.1 | 172.8 | -73.6 | 179.4 | -0.9 | 0 | 0 | 112.1 | Q708 N709 S714 E715 M716 | Q708-Q712 WeakPolarHBondContact O-CG 3.45Å; Q708-Q712 PolarHBondContact O-N 2.7Å; N709-Q712 PolarHBondContact O-N 2.83Å; Q712-S714 VanDerWaalsContact C-N 3.33Å; Q712-S714 PolarHBondContact O-N 3.35Å; Q712-E715 PolarHBondContact O-N 2.97Å; Q712-M716 VanDerWaalsContact O-CB 3.32Å; Q712-M716 WeakPolarHBondContact O-CB 3.38Å; Q712-M716 PolarHBondContact O-N 3.49Å |
| 713 | Q | 82.2 | Confident | 84.3 | Confident | 119 Ų | 119 | 104.6 Ų | 104.6 | 56% | 0.556 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.7 | -37.1 | 174.3 | -75.9 | -179.1 | -4.7 | 0 | 0 | 112.5 | N709 Y710 Q711 M716 F717 | N709-Q713 WeakPolarHBondContact O-CB 3.21Å; N709-Q713 WeakPolarHBondContact O-CG 3.28Å; N709-Q713 PolarHBondContact O-N 3.45Å; Y710-Q713 PolarHBondContact O-N 2.98Å; Q711-Q713 PolarHBondContact O-N 3.24Å; Q713-M716 PolarHBondContact O-N 3.29Å; Q713-F717 VanDerWaalsContact O-CB 3.3Å; Q713-F717 WeakPolarHBondContact O-CB 3.4Å; Q713-F717 PolarHBondContact O-N 2.92Å |
| 714 | S | 80.9 | Confident | 84.2 | Confident | 76 Ų | 76 | 101.4 Ų | 101.4 | 53% | 0.531 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.7 | -38.6 | 175.9 | -170.1 | 0 | 0 | 0 | 0 | 112.2 | Y710 Q711 Q712 H718 | Y710-S714 WeakPolarHBondContact O-CB 3.18Å; Y710-S714 PolarHBondContact O-N 3.35Å; Q711-S714 WeakPolarHBondContact O-CB 3.41Å; Q711-S714 PolarHBondContact O-N 3.12Å; Q711-S714 VanDerWaalsContact O-N 3.15Å; Q712-S714 VanDerWaalsContact C-N 3.33Å; Q712-S714 PolarHBondContact O-N 3.35Å; S714-H718 WeakPolarHBondContact O-CB 3.41Å; S714-H718 PolarHBondContact O-N 3.12Å |
| 715 | E | 84.5 | Confident | 84.2 | Confident | 109 Ų | 109 | 101.2 Ų | 101.2 | 51% | 0.509 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.8 | -45.1 | 174.5 | -73.2 | 167.6 | -167.1 | 0 | 0 | 110.2 | Q711 Q712 H718 T719 | Q711-E715 WeakPolarHBondContact CG-OE1 3.44Å; Q711-E715 PolarHBondContact NE2-OE1 3.28Å; Q711-E715 WeakPolarHBondContact O-CG 3.26Å; Q711-E715 PolarHBondContact O-N 2.78Å; Q712-E715 PolarHBondContact O-N 2.97Å; E715-H718 PolarHBondContact O-N 3.06Å; E715-H718 VanDerWaalsContact O-N 3.15Å; E715-T719 PolarHBondContact O-N 2.97Å; E715-T719 PolarHBondContact O-OG1 3.12Å |
| 716 | M | 86.2 | Confident | 84.3 | Confident | 109 Ų | 109 | 100.4 Ų | 100.4 | 54% | 0.537 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 177.3 | -152.4 | 178.5 | 85 | 0 | 0 | 112.1 | Q712 Q713 H718 T719 E720 | Q712-M716 VanDerWaalsContact O-CB 3.32Å; Q712-M716 WeakPolarHBondContact O-CB 3.38Å; Q712-M716 PolarHBondContact O-N 3.49Å; Q713-M716 PolarHBondContact O-N 3.29Å; M716-H718 VanDerWaalsContact C-N 3.27Å; M716-H718 PolarHBondContact O-N 3.44Å; M716-T719 WeakPolarHBondContact CA-OG1 3.26Å; M716-T719 PolarHBondContact O-N 3.44Å; M716-T719 PolarHBondContact O-OG1 3.37Å; M716-E720 WeakPolarHBondContact O-CG 3.3Å; M716-E720 PolarHBondContact O-N 3.43Å |
| 717 | F | 83.4 | Confident | 84.4 | Confident | 129 Ų | 129 | 102.8 Ų | 102.8 | 57% | 0.566 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.9 | -35.1 | 174.1 | 179.1 | -97.2 | 0 | 0 | 0 | 112.3 | Q713 E720 Q721 | Q713-F717 VanDerWaalsContact O-CB 3.3Å; Q713-F717 WeakPolarHBondContact O-CB 3.4Å; Q713-F717 PolarHBondContact O-N 2.92Å; F717-E720 PolarHBondContact O-N 3.12Å; F717-Q721 VanDerWaalsContact O-CB 3.29Å; F717-Q721 WeakPolarHBondContact O-CB 3.4Å; F717-Q721 PolarHBondContact O-N 2.93Å |
| 718 | H | 83.5 | Confident | 84.5 | Confident | 114 Ų | 114 | 103.3 Ų | 103.3 | 53% | 0.528 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -73.5 | -32.9 | 177.8 | -146.4 | 38.3 | 0 | 0 | 0 | 112.1 | S714 E715 M716 Q721 M722 | S714-H718 WeakPolarHBondContact O-CB 3.41Å; S714-H718 PolarHBondContact O-N 3.12Å; E715-H718 PolarHBondContact O-N 3.06Å; E715-H718 VanDerWaalsContact O-N 3.15Å; M716-H718 VanDerWaalsContact C-N 3.27Å; M716-H718 PolarHBondContact O-N 3.44Å; H718-Q721 PolarHBondContact ND1-OE1 2.93Å; H718-M722 WeakPolarHBondContact O-CB 3.28Å; H718-M722 WeakPolarHBondContact O-CG 3.08Å; H718-M722 PolarHBondContact O-N 3.3Å |
| 719 | T | 85 | Confident | 84.6 | Confident | 83 Ų | 83 | 101.2 Ų | 101.2 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.2 | -45.1 | 167 | 35.2 | 0 | 0 | 0 | 0 | 112.6 | E715 M716 Q721 M722 E723 | E715-T719 PolarHBondContact O-N 2.97Å; E715-T719 PolarHBondContact O-OG1 3.12Å; M716-T719 WeakPolarHBondContact CA-OG1 3.26Å; M716-T719 PolarHBondContact O-N 3.44Å; M716-T719 PolarHBondContact O-OG1 3.37Å; T719-Q721 VanDerWaalsContact C-N 3.32Å; T719-Q721 PolarHBondContact O-N 3.35Å; T719-M722 PolarHBondContact O-N 3.37Å; T719-E723 WeakPolarHBondContact O-CG 3.46Å; T719-E723 PolarHBondContact O-N 2.91Å |
| 720 | E | 83.3 | Confident | 84.6 | Confident | 105 Ų | 105 | 99.4 Ų | 99.4 | 49% | 0.491 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 175.6 | -72 | 175.3 | -177.2 | 0 | 0 | 111.5 | M716 F717 E723 S724 | M716-E720 WeakPolarHBondContact O-CG 3.3Å; M716-E720 PolarHBondContact O-N 3.43Å; F717-E720 PolarHBondContact O-N 3.12Å; E720-E723 PolarHBondContact O-N 3.49Å; E720-S724 WeakPolarHBondContact O-CB 3.45Å; E720-S724 PolarHBondContact O-N 3.49Å |
| 721 | Q | 85.3 | Confident | 84.7 | Confident | 66 Ų | 66 | 95.9 Ų | 95.9 | 31% | 0.308 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.9 | -51.8 | 172.8 | -177.4 | -174.3 | -10.9 | 0 | 0 | 110.9 | F717 H718 T719 E723 S724 E725 | F717-Q721 VanDerWaalsContact O-CB 3.29Å; F717-Q721 WeakPolarHBondContact O-CB 3.4Å; F717-Q721 PolarHBondContact O-N 2.93Å; H718-Q721 PolarHBondContact ND1-OE1 2.93Å; T719-Q721 VanDerWaalsContact C-N 3.32Å; T719-Q721 PolarHBondContact O-N 3.35Å; Q721-E723 VanDerWaalsContact C-N 3.31Å; Q721-E723 PolarHBondContact O-N 2.97Å; Q721-S724 WeakPolarHBondContact O-CB 3.41Å; Q721-S724 PolarHBondContact O-N 2.92Å; Q721-S724 VanDerWaalsContact O-N 3.08Å; Q721-S724 PolarHBondContact O-OG 3.42Å; Q721-E725 HydrophobicContact CG-CG 4.5Å; Q721-E725 WeakPolarHBondContact CG-OE1 3.46Å; Q721-E725 PolarHBondContact NE2-OE1 3.26Å; Q721-E725 WeakPolarHBondContact O-CG 3.35Å; Q721-E725 PolarHBondContact O-N 3.3Å |
| 722 | M | 84.5 | Confident | 84.8 | Confident | 97 Ų | 97 | 93.5 Ų | 93.5 | 48% | 0.478 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.3 | -35.6 | 179.7 | -74.6 | -73.1 | -71.5 | 0 | 0 | 112.6 | H718 T719 N726 | H718-M722 WeakPolarHBondContact O-CB 3.28Å; H718-M722 WeakPolarHBondContact O-CG 3.08Å; H718-M722 PolarHBondContact O-N 3.3Å; T719-M722 PolarHBondContact O-N 3.37Å; M722-N726 WeakPolarHBondContact O-CB 3.14Å; M722-N726 PolarHBondContact O-N 3.06Å; M722-N726 PolarHBondContact O-ND2 3.14Å |
| 723 | E | 84.4 | Confident | 84.8 | Confident | 131 Ų | 131 | 95.5 Ų | 95.5 | 61% | 0.612 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68.2 | -40.5 | 171.6 | -73.2 | -169.8 | 173.1 | 0 | 0 | 111.7 | T719 E720 Q721 N726 N727 | T719-E723 WeakPolarHBondContact O-CG 3.46Å; T719-E723 PolarHBondContact O-N 2.91Å; E720-E723 PolarHBondContact O-N 3.49Å; Q721-E723 VanDerWaalsContact C-N 3.31Å; Q721-E723 PolarHBondContact O-N 2.97Å; E723-N726 PolarHBondContact O-N 2.98Å; E723-N727 WeakPolarHBondContact O-CB 3.47Å; E723-N727 PolarHBondContact O-N 3.47Å; E723-N727 PolarHBondContact O-ND2 2.98Å |
| 724 | S | 81.9 | Confident | 85 | Confident | 53 Ų | 53 | 96.9 Ų | 96.9 | 37% | 0.371 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 174.9 | 82.5 | 0 | 0 | 0 | 0 | 112.1 | E720 Q721 N727 I728 | E720-S724 WeakPolarHBondContact O-CB 3.45Å; E720-S724 PolarHBondContact O-N 3.49Å; Q721-S724 WeakPolarHBondContact O-CB 3.41Å; Q721-S724 PolarHBondContact O-N 2.92Å; Q721-S724 VanDerWaalsContact O-N 3.08Å; Q721-S724 PolarHBondContact O-OG 3.42Å; S724-N727 PolarHBondContact O-N 2.94Å; S724-I728 WeakPolarHBondContact O-CB 3.31Å; S724-I728 VanDerWaalsContact O-CG1 3.27Å; S724-I728 WeakPolarHBondContact O-CG1 3.01Å; S724-I728 PolarHBondContact O-N 3.36Å |
| 725 | E | 85.8 | Confident | 85 | Confident | 83 Ų | 83 | 98.8 Ų | 98.8 | 39% | 0.388 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.7 | -42.1 | 177.5 | -72.7 | -179.9 | -160.8 | 0 | 0 | 111.3 | Q721 N727 I728 I729 | Q721-E725 HydrophobicContact CG-CG 4.5Å; Q721-E725 WeakPolarHBondContact CG-OE1 3.46Å; Q721-E725 PolarHBondContact NE2-OE1 3.26Å; Q721-E725 WeakPolarHBondContact O-CG 3.35Å; Q721-E725 PolarHBondContact O-N 3.3Å; E725-N727 VanDerWaalsContact C-N 3.34Å; E725-N727 PolarHBondContact O-N 3.36Å; E725-I728 PolarHBondContact O-N 2.91Å; E725-I729 WeakPolarHBondContact O-CB 3.39Å; E725-I729 WeakPolarHBondContact O-CD1 3.46Å; E725-I729 VanDerWaalsContact O-CG1 3.25Å; E725-I729 WeakPolarHBondContact O-CG1 3.28Å; E725-I729 PolarHBondContact O-N 3.04Å |
| 726 | N | 87.3 | Confident | 85.1 | Confident | 96 Ų | 96 | 99 Ų | 99 | 51% | 0.513 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.1 | -40.1 | 172.5 | -82.9 | -64.6 | 0 | 0 | 0 | 112.3 | M722 E723 I729 A730 | M722-N726 WeakPolarHBondContact O-CB 3.14Å; M722-N726 PolarHBondContact O-N 3.06Å; M722-N726 PolarHBondContact O-ND2 3.14Å; E723-N726 PolarHBondContact O-N 2.98Å; N726-I729 PolarHBondContact O-N 3.26Å; N726-A730 WeakPolarHBondContact O-CB 3.37Å; N726-A730 PolarHBondContact O-N 3.43Å |
| 727 | N | 87.4 | Confident | 85 | Confident | 105 Ų | 105 | 98.2 Ų | 98.2 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.6 | -41.9 | 174.8 | -78.9 | -47.6 | 0 | 0 | 0 | 111.9 | E723 S724 E725 I729 A730 V731 | E723-N727 WeakPolarHBondContact O-CB 3.47Å; E723-N727 PolarHBondContact O-N 3.47Å; E723-N727 PolarHBondContact O-ND2 2.98Å; S724-N727 PolarHBondContact O-N 2.94Å; E725-N727 VanDerWaalsContact C-N 3.34Å; E725-N727 PolarHBondContact O-N 3.36Å; N727-I729 PolarHBondContact O-N 2.95Å; N727-A730 PolarHBondContact O-N 3.46Å; N727-V731 WeakPolarHBondContact O-CG2 3.45Å; N727-V731 PolarHBondContact O-N 2.75Å |
| 728 | I | 85 | Confident | 85 | Confident | 104 Ų | 104 | 95.6 Ų | 95.6 | 53% | 0.533 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62 | -42.6 | 174.1 | -71.6 | 164 | 0 | 0 | 0 | 111.1 | S724 E725 V731 T732 | S724-I728 WeakPolarHBondContact O-CB 3.31Å; S724-I728 VanDerWaalsContact O-CG1 3.27Å; S724-I728 WeakPolarHBondContact O-CG1 3.01Å; S724-I728 PolarHBondContact O-N 3.36Å; E725-I728 PolarHBondContact O-N 2.91Å; I728-V731 PolarHBondContact O-N 2.89Å; I728-T732 VanDerWaalsContact O-CB 3.31Å; I728-T732 WeakPolarHBondContact O-CB 3.41Å; I728-T732 PolarHBondContact O-N 2.82Å; I728-T732 PolarHBondContact O-OG1 3.27Å |
| 729 | I | 86.2 | Confident | 84.9 | Confident | 77 Ų | 77 | 92.5 Ų | 92.5 | 40% | 0.395 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 174.6 | -70 | 163.6 | 0 | 0 | 0 | 110.8 | E725 N726 N727 T732 R733 | E725-I729 WeakPolarHBondContact O-CB 3.39Å; E725-I729 WeakPolarHBondContact O-CD1 3.46Å; E725-I729 VanDerWaalsContact O-CG1 3.25Å; E725-I729 WeakPolarHBondContact O-CG1 3.28Å; E725-I729 PolarHBondContact O-N 3.04Å; N726-I729 PolarHBondContact O-N 3.26Å; N727-I729 PolarHBondContact O-N 2.95Å; I729-T732 PolarHBondContact O-N 2.86Å; I729-R733 WeakPolarHBondContact O-CB 3.26Å; I729-R733 WeakPolarHBondContact O-CG 3.47Å; I729-R733 PolarHBondContact O-N 2.83Å |
| 730 | A | 85.7 | Confident | 84.9 | Confident | 42 Ų | 42 | 93.6 Ų | 93.6 | 35% | 0.347 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.8 | -40.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N726 N727 R733 K734 | N726-A730 WeakPolarHBondContact O-CB 3.37Å; N726-A730 PolarHBondContact O-N 3.43Å; N727-A730 PolarHBondContact O-N 3.46Å; A730-R733 PolarHBondContact O-N 2.83Å; A730-K734 WeakPolarHBondContact O-CG 3.47Å; A730-K734 PolarHBondContact O-N 3.44Å |
| 731 | V | 86.9 | Confident | 84.9 | Confident | 80 Ų | 80 | 90.8 Ų | 90.8 | 49% | 0.485 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.2 | -40.9 | 174.6 | 170 | 0 | 0 | 0 | 0 | 111.2 | N727 I728 R733 K734 L735 | N727-V731 WeakPolarHBondContact O-CG2 3.45Å; N727-V731 PolarHBondContact O-N 2.75Å; I728-V731 PolarHBondContact O-N 2.89Å; V731-R733 PolarHBondContact O-N 3.25Å; V731-K734 PolarHBondContact O-N 2.73Å; V731-L735 HydrophobicContact CG1-CD1 4.08Å; V731-L735 PolarHBondContact O-N 2.89Å |
| 732 | T | 85.9 | Confident | 84.9 | Confident | 63 Ų | 63 | 92.6 Ų | 92.6 | 39% | 0.387 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 176.4 | -61.9 | 0 | 0 | 0 | 0 | 111.4 | I728 I729 L735 Q736 | I728-T732 VanDerWaalsContact O-CB 3.31Å; I728-T732 WeakPolarHBondContact O-CB 3.41Å; I728-T732 PolarHBondContact O-N 2.82Å; I728-T732 PolarHBondContact O-OG1 3.27Å; I729-T732 PolarHBondContact O-N 2.86Å; T732-L735 PolarHBondContact O-N 3.46Å; T732-Q736 VanDerWaalsContact O-CG 3.31Å; T732-Q736 WeakPolarHBondContact O-CG 3.44Å; T732-Q736 PolarHBondContact O-N 2.8Å |
| 733 | R | 85.1 | Confident | 85 | Confident | 164 Ų | 164 | 93.2 Ų | 93.2 | 62% | 0.619 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.7 | -44.9 | 172.1 | -75 | 174.7 | -177.4 | 160.8 | 3.6 | 111.9 | I729 A730 V731 L735 Q736 T737 | I729-R733 WeakPolarHBondContact O-CB 3.26Å; I729-R733 WeakPolarHBondContact O-CG 3.47Å; I729-R733 PolarHBondContact O-N 2.83Å; A730-R733 PolarHBondContact O-N 2.83Å; V731-R733 PolarHBondContact O-N 3.25Å; R733-L735 PolarHBondContact O-N 2.88Å; R733-Q736 WeakPolarHBondContact O-CB 3.49Å; R733-Q736 PolarHBondContact O-N 2.94Å; R733-T737 PolarHBondContact O-N 2.87Å; R733-T737 PolarHBondContact O-OG1 3.19Å; R733-T737 VanDerWaalsContact O-OG1 3.11Å |
| 734 | K | 86.2 | Confident | 85 | Confident | 149 Ų | 149 | 93.1 Ų | 93.1 | 65% | 0.648 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.7 | -44.6 | 174.9 | -74.7 | 175.8 | 179.1 | 179.7 | 0 | 112 | A730 V731 Q736 T737 C738 | A730-K734 WeakPolarHBondContact O-CG 3.47Å; A730-K734 PolarHBondContact O-N 3.44Å; V731-K734 PolarHBondContact O-N 2.73Å; K734-Q736 VanDerWaalsContact C-N 3.34Å; K734-Q736 PolarHBondContact O-N 3.19Å; K734-T737 PolarHBondContact O-N 3.01Å; K734-C738 PolarHBondContact O-N 3.22Å; K734-C738 PolarHBondContact O-SG 2.86Å; K734-C738 VanDerWaalsContact O-SG 3.33Å |
| 735 | L | 81.9 | Confident | 85.2 | Confident | 115 Ų | 115 | 95.5 Ų | 95.5 | 60% | 0.602 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.5 | -40.6 | 174.8 | -81.4 | 164.5 | 0 | 0 | 0 | 112.2 | V731 T732 R733 C738 A739 | V731-L735 HydrophobicContact CG1-CD1 4.08Å; V731-L735 PolarHBondContact O-N 2.89Å; T732-L735 PolarHBondContact O-N 3.46Å; R733-L735 PolarHBondContact O-N 2.88Å; L735-C738 PolarHBondContact O-N 2.75Å; L735-A739 WeakPolarHBondContact O-CB 3.49Å; L735-A739 PolarHBondContact O-N 2.77Å |
| 736 | Q | 86.3 | Confident | 85.2 | Confident | 115 Ų | 115 | 94.2 Ų | 94.2 | 54% | 0.537 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 173.9 | -72.9 | 170.1 | -12 | 0 | 0 | 112 | T732 R733 K734 A739 L740 | T732-Q736 VanDerWaalsContact O-CG 3.31Å; T732-Q736 WeakPolarHBondContact O-CG 3.44Å; T732-Q736 PolarHBondContact O-N 2.8Å; R733-Q736 WeakPolarHBondContact O-CB 3.49Å; R733-Q736 PolarHBondContact O-N 2.94Å; K734-Q736 VanDerWaalsContact C-N 3.34Å; K734-Q736 PolarHBondContact O-N 3.19Å; Q736-A739 PolarHBondContact O-N 3.36Å; Q736-L740 WeakPolarHBondContact O-CG 3.47Å; Q736-L740 PolarHBondContact O-N 2.98Å |
| 737 | T | 85.2 | Confident | 85 | Confident | 92 Ų | 92 | 92.2 Ų | 92.2 | 56% | 0.564 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.9 | -44.2 | 173.5 | -54 | 0 | 0 | 0 | 0 | 111.6 | R733 K734 L740 A741 | R733-T737 PolarHBondContact O-N 2.87Å; R733-T737 PolarHBondContact O-OG1 3.19Å; R733-T737 VanDerWaalsContact O-OG1 3.11Å; K734-T737 PolarHBondContact O-N 3.01Å; T737-L740 PolarHBondContact O-N 3.28Å; T737-A741 WeakPolarHBondContact O-CB 3.26Å; T737-A741 PolarHBondContact O-N 3.45Å |
| 738 | C | 82.5 | Confident | 85 | Confident | 74 Ų | 74 | 90.6 Ų | 90.6 | 50% | 0.5 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.9 | -36 | 176.6 | -68.1 | 0 | 0 | 0 | 0 | 112.6 | K734 L735 A741 N742 | K734-C738 PolarHBondContact O-N 3.22Å; K734-C738 PolarHBondContact O-SG 2.86Å; K734-C738 VanDerWaalsContact O-SG 3.33Å; L735-C738 PolarHBondContact O-N 2.75Å; C738-A741 PolarHBondContact O-N 3.48Å; C738-N742 WeakPolarHBondContact O-CB 3.25Å; C738-N742 VanDerWaalsContact O-CG 3.3Å; C738-N742 PolarHBondContact O-N 2.9Å |
| 739 | A | 81.1 | Confident | 85 | Confident | 49 Ų | 49 | 89 Ų | 89 | 41% | 0.405 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67 | -39.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L735 Q736 N742 N743 | L735-A739 WeakPolarHBondContact O-CB 3.49Å; L735-A739 PolarHBondContact O-N 2.77Å; Q736-A739 PolarHBondContact O-N 3.36Å; A739-N742 PolarHBondContact O-N 3.17Å; A739-N743 VanDerWaalsContact O-CG 3.23Å; A739-N743 PolarHBondContact O-N 3.5Å; A739-N743 PolarHBondContact O-ND2 2.94Å; A739-N743 VanDerWaalsContact O-ND2 3.16Å |
| 740 | L | 84.4 | Confident | 85 | Confident | 105 Ų | 105 | 87.5 Ų | 87.5 | 55% | 0.55 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.5 | -48.7 | 172.6 | -70.2 | 170.8 | 0 | 0 | 0 | 111.3 | Q736 T737 N742 N743 E744 | Q736-L740 WeakPolarHBondContact O-CG 3.47Å; Q736-L740 PolarHBondContact O-N 2.98Å; T737-L740 PolarHBondContact O-N 3.28Å; L740-N742 VanDerWaalsContact C-N 3.28Å; L740-N742 PolarHBondContact O-N 2.63Å; L740-N743 WeakPolarHBondContact O-CB 3.41Å; L740-N743 PolarHBondContact O-N 2.91Å; L740-E744 WeakPolarHBondContact O-CG 3.3Å; L740-E744 PolarHBondContact O-N 3.39Å |
| 741 | A | 84.1 | Confident | 85 | Confident | 46 Ų | 46 | 88.9 Ų | 88.9 | 38% | 0.38 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.5 | -35.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | T737 C738 E744 L745 | T737-A741 WeakPolarHBondContact O-CB 3.26Å; T737-A741 PolarHBondContact O-N 3.45Å; C738-A741 PolarHBondContact O-N 3.48Å; A741-E744 PolarHBondContact O-N 2.97Å; A741-L745 VanDerWaalsContact O-CB 3.29Å; A741-L745 WeakPolarHBondContact O-CB 3.31Å; A741-L745 PolarHBondContact O-N 2.88Å |
| 742 | N | 85.6 | Confident | 85 | Confident | 105 Ų | 105 | 90 Ų | 90 | 56% | 0.561 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -69.5 | -34.7 | 173.2 | -79.5 | -4.3 | 0 | 0 | 0 | 112.6 | C738 A739 L740 A746 | C738-N742 WeakPolarHBondContact O-CB 3.25Å; C738-N742 VanDerWaalsContact O-CG 3.3Å; C738-N742 PolarHBondContact O-N 2.9Å; A739-N742 PolarHBondContact O-N 3.17Å; L740-N742 VanDerWaalsContact C-N 3.28Å; L740-N742 PolarHBondContact O-N 2.63Å; N742-A746 VanDerWaalsContact O-CB 3.25Å; N742-A746 WeakPolarHBondContact O-CB 3.38Å; N742-A746 PolarHBondContact O-N 2.76Å |
| 743 | N | 86.3 | Confident | 85.1 | Confident | 109 Ų | 109 | 94.3 Ų | 94.3 | 58% | 0.583 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.4 | -39.7 | 173.4 | -69.2 | -31.1 | 0 | 0 | 0 | 111.5 | A739 L740 A746 A747 | A739-N743 VanDerWaalsContact O-CG 3.23Å; A739-N743 PolarHBondContact O-N 3.5Å; A739-N743 PolarHBondContact O-ND2 2.94Å; A739-N743 VanDerWaalsContact O-ND2 3.16Å; L740-N743 WeakPolarHBondContact O-CB 3.41Å; L740-N743 PolarHBondContact O-N 2.91Å; N743-A746 PolarHBondContact O-N 3.32Å; N743-A747 WeakPolarHBondContact O-CB 3.33Å; N743-A747 PolarHBondContact O-N 2.79Å |
| 744 | E | 85.3 | Confident | 85.1 | Confident | 130 Ų | 130 | 93 Ų | 93 | 61% | 0.607 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.3 | -45.2 | 172.7 | -70.5 | 168.7 | -176.9 | 0 | 0 | 111 | L740 A741 A746 A747 C748 | L740-E744 WeakPolarHBondContact O-CG 3.3Å; L740-E744 PolarHBondContact O-N 3.39Å; A741-E744 PolarHBondContact O-N 2.97Å; E744-A746 PolarHBondContact O-N 3.46Å; E744-A747 PolarHBondContact O-N 3.4Å; E744-C748 PolarHBondContact O-N 2.83Å; E744-C748 PolarHBondContact O-SG 3.18Å; E744-C748 VanDerWaalsContact O-SG 3.34Å |
| 745 | L | 85.7 | Confident | 85.1 | Confident | 103 Ų | 103 | 91.2 Ų | 91.2 | 54% | 0.539 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.2 | -43 | 174.2 | -168.3 | 80 | 0 | 0 | 0 | 111.7 | A741 A747 C748 I749 | A741-L745 VanDerWaalsContact O-CB 3.29Å; A741-L745 WeakPolarHBondContact O-CB 3.31Å; A741-L745 PolarHBondContact O-N 2.88Å; L745-A747 VanDerWaalsContact C-N 3.34Å; L745-A747 PolarHBondContact O-N 3.01Å; L745-C748 PolarHBondContact O-N 2.96Å; L745-I749 HydrophobicContact CD2-CD1 4.26Å; L745-I749 HydrophobicContact CG-CD1 3.99Å; L745-I749 WeakPolarHBondContact O-CB 3.35Å; L745-I749 VanDerWaalsContact O-CG1 3.25Å; L745-I749 WeakPolarHBondContact O-CG1 3.42Å; L745-I749 PolarHBondContact O-N 3.32Å |
| 746 | A | 84.7 | Confident | 85.4 | Confident | 55 Ų | 55 | 91.9 Ų | 91.9 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.7 | -37.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N742 N743 E744 I749 A750 | N742-A746 VanDerWaalsContact O-CB 3.25Å; N742-A746 WeakPolarHBondContact O-CB 3.38Å; N742-A746 PolarHBondContact O-N 2.76Å; N743-A746 PolarHBondContact O-N 3.32Å; E744-A746 PolarHBondContact O-N 3.46Å; A746-I749 PolarHBondContact O-N 2.68Å; A746-A750 PolarHBondContact O-N 3.03Å |
| 747 | A | 84.2 | Confident | 85.5 | Confident | 55 Ų | 55 | 89.7 Ų | 89.7 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.3 | -45.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | N743 E744 L745 I749 A750 T751 | N743-A747 WeakPolarHBondContact O-CB 3.33Å; N743-A747 PolarHBondContact O-N 2.79Å; E744-A747 PolarHBondContact O-N 3.4Å; L745-A747 VanDerWaalsContact C-N 3.34Å; L745-A747 PolarHBondContact O-N 3.01Å; A747-I749 VanDerWaalsContact C-N 3.31Å; A747-I749 PolarHBondContact O-N 3.39Å; A747-A750 WeakPolarHBondContact O-CB 3.16Å; A747-A750 PolarHBondContact O-N 3Å; A747-A750 VanDerWaalsContact O-N 3.09Å; A747-T751 PolarHBondContact O-N 3.05Å; A747-T751 PolarHBondContact O-OG1 3.06Å |
| 748 | C | 86.3 | Confident | 85.6 | Confident | 70 Ų | 70 | 89.7 Ų | 89.7 | 47% | 0.473 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.6 | -36.9 | 174.2 | -70.1 | 0 | 0 | 0 | 0 | 112.6 | E744 L745 A750 T751 L752 | E744-C748 PolarHBondContact O-N 2.83Å; E744-C748 PolarHBondContact O-SG 3.18Å; E744-C748 VanDerWaalsContact O-SG 3.34Å; L745-C748 PolarHBondContact O-N 2.96Å; C748-A750 VanDerWaalsContact C-N 3.34Å; C748-T751 WeakPolarHBondContact CA-OG1 3.36Å; C748-T751 PolarHBondContact O-OG1 3.1Å; C748-T751 VanDerWaalsContact O-OG1 3.05Å; C748-L752 VanDerWaalsContact O-CB 3.28Å; C748-L752 WeakPolarHBondContact O-CB 3.43Å; C748-L752 WeakPolarHBondContact O-CD1 3.34Å; C748-L752 WeakPolarHBondContact O-CG 3.25Å; C748-L752 PolarHBondContact O-N 2.7Å |
| 749 | I | 86.2 | Confident | 85.8 | Confident | 71 Ų | 71 | 91.5 Ų | 91.5 | 36% | 0.364 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.2 | -34.7 | 173.7 | -71.6 | 165.2 | 0 | 0 | 0 | 111 | L745 A746 A747 R753 | L745-I749 HydrophobicContact CD2-CD1 4.26Å; L745-I749 HydrophobicContact CG-CD1 3.99Å; L745-I749 WeakPolarHBondContact O-CB 3.35Å; L745-I749 VanDerWaalsContact O-CG1 3.25Å; L745-I749 WeakPolarHBondContact O-CG1 3.42Å; L745-I749 PolarHBondContact O-N 3.32Å; A746-I749 PolarHBondContact O-N 2.68Å; A747-I749 VanDerWaalsContact C-N 3.31Å; A747-I749 PolarHBondContact O-N 3.39Å; I749-R753 WeakPolarHBondContact O-CB 3.15Å; I749-R753 WeakPolarHBondContact O-CD 3.09Å; I749-R753 WeakPolarHBondContact O-CG 3.36Å; I749-R753 PolarHBondContact O-N 3.04Å |
| 750 | A | 84.4 | Confident | 86.1 | Confident | 45 Ų | 45 | 94.2 Ų | 94.2 | 37% | 0.372 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.1 | -48.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A746 A747 C748 L752 R753 E754 | A746-A750 PolarHBondContact O-N 3.03Å; A747-A750 WeakPolarHBondContact O-CB 3.16Å; A747-A750 PolarHBondContact O-N 3Å; A747-A750 VanDerWaalsContact O-N 3.09Å; C748-A750 VanDerWaalsContact C-N 3.34Å; A750-L752 PolarHBondContact O-N 2.91Å; A750-R753 WeakPolarHBondContact O-CB 3.32Å; A750-R753 PolarHBondContact O-N 3.12Å; A750-R753 VanDerWaalsContact O-N 3.11Å; A750-E754 PolarHBondContact O-N 3.42Å |
| 751 | T | 87.1 | Confident | 86.2 | Confident | 71 Ų | 71 | 94.2 Ų | 94.2 | 44% | 0.436 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 177.3 | 56.5 | 0 | 0 | 0 | 0 | 112.1 | A747 C748 R753 E754 E755 | A747-T751 PolarHBondContact O-N 3.05Å; A747-T751 PolarHBondContact O-OG1 3.06Å; C748-T751 WeakPolarHBondContact CA-OG1 3.36Å; C748-T751 PolarHBondContact O-OG1 3.1Å; C748-T751 VanDerWaalsContact O-OG1 3.05Å; T751-R753 VanDerWaalsContact C-N 3.27Å; T751-R753 PolarHBondContact O-N 3.19Å; T751-E754 PolarHBondContact O-N 3.48Å; T751-E755 WeakPolarHBondContact O-CB 3.49Å; T751-E755 WeakPolarHBondContact O-CG 3.33Å; T751-E755 PolarHBondContact O-N 3.23Å |
| 752 | L | 85.8 | Confident | 86.3 | Confident | 105 Ų | 105 | 97.6 Ų | 97.6 | 55% | 0.55 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65 | -29.6 | 174.6 | -74.5 | 169.2 | 0 | 0 | 0 | 112.7 | C748 A750 R756 | C748-L752 VanDerWaalsContact O-CB 3.28Å; C748-L752 WeakPolarHBondContact O-CB 3.43Å; C748-L752 WeakPolarHBondContact O-CD1 3.34Å; C748-L752 WeakPolarHBondContact O-CG 3.25Å; C748-L752 PolarHBondContact O-N 2.7Å; A750-L752 PolarHBondContact O-N 2.91Å; L752-R756 WeakPolarHBondContact O-CB 3.44Å; L752-R756 PolarHBondContact O-N 3.06Å |
| 753 | R | 87.9 | Confident | 86.3 | Confident | 153 Ų | 153 | 97.4 Ų | 97.4 | 58% | 0.577 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -71.1 | -46.3 | 171.1 | -75.3 | 167.6 | -178.3 | -168.6 | 1.2 | 111.2 | I749 A750 T751 E755 R756 D757 | I749-R753 WeakPolarHBondContact O-CB 3.15Å; I749-R753 WeakPolarHBondContact O-CD 3.09Å; I749-R753 WeakPolarHBondContact O-CG 3.36Å; I749-R753 PolarHBondContact O-N 3.04Å; A750-R753 WeakPolarHBondContact O-CB 3.32Å; A750-R753 PolarHBondContact O-N 3.12Å; A750-R753 VanDerWaalsContact O-N 3.11Å; T751-R753 VanDerWaalsContact C-N 3.27Å; T751-R753 PolarHBondContact O-N 3.19Å; R753-E755 VanDerWaalsContact C-N 3.32Å; R753-E755 PolarHBondContact O-N 3.18Å; R753-R756 PolarHBondContact O-N 2.96Å; R753-D757 WeakPolarHBondContact O-CB 3.34Å; R753-D757 PolarHBondContact O-N 3.48Å; R753-D757 VanDerWaalsContact O-OD1 3.12Å |
| 754 | E | 85.9 | Confident | 86.2 | Confident | 135 Ų | 135 | 97.1 Ų | 97.1 | 63% | 0.631 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.7 | -40.2 | 175.6 | -70.1 | 177 | -175.5 | 0 | 0 | 112.1 | A750 T751 L758 | A750-E754 PolarHBondContact O-N 3.42Å; T751-E754 PolarHBondContact O-N 3.48Å; E754-L758 WeakPolarHBondContact O-CB 3.48Å; E754-L758 PolarHBondContact O-N 2.88Å |
| 755 | E | 87.1 | Confident | 86.1 | Confident | 113 Ų | 113 | 97.4 Ų | 97.4 | 53% | 0.528 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.8 | -42.8 | 173.7 | -74.9 | -177.3 | 160.7 | 0 | 0 | 112.3 | T751 R753 L758 L759 | T751-E755 WeakPolarHBondContact O-CB 3.49Å; T751-E755 WeakPolarHBondContact O-CG 3.33Å; T751-E755 PolarHBondContact O-N 3.23Å; R753-E755 VanDerWaalsContact C-N 3.32Å; R753-E755 PolarHBondContact O-N 3.18Å; E755-L758 PolarHBondContact O-N 3.05Å; E755-L759 WeakPolarHBondContact O-CB 3.23Å; E755-L759 VanDerWaalsContact O-CG 3.25Å; E755-L759 WeakPolarHBondContact O-CG 3.39Å; E755-L759 PolarHBondContact O-N 3.14Å |
| 756 | R | 87.9 | Confident | 86 | Confident | 129 Ų | 129 | 94.8 Ų | 94.8 | 49% | 0.487 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 175.5 | -178.7 | -76.1 | -46.7 | -91.4 | 3.1 | 111.2 | L752 R753 L758 L759 E760 | L752-R756 WeakPolarHBondContact O-CB 3.44Å; L752-R756 PolarHBondContact O-N 3.06Å; R753-R756 PolarHBondContact O-N 2.96Å; R756-L758 VanDerWaalsContact C-N 3.32Å; R756-L758 PolarHBondContact O-N 3.44Å; R756-L759 PolarHBondContact O-N 3.07Å; R756-E760 WeakPolarHBondContact O-CB 3.33Å; R756-E760 PolarHBondContact O-N 2.87Å |
| 757 | D | 88.1 | Confident | 85.9 | Confident | 68 Ų | 68 | 96.6 Ų | 96.6 | 36% | 0.364 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -40 | 176.5 | -65 | -0.5 | 0 | 0 | 0 | 110.6 | R753 E760 N761 | R753-D757 WeakPolarHBondContact O-CB 3.34Å; R753-D757 PolarHBondContact O-N 3.48Å; R753-D757 VanDerWaalsContact O-OD1 3.12Å; D757-E760 PolarHBondContact O-N 2.91Å; D757-N761 WeakPolarHBondContact O-CB 3.3Å; D757-N761 PolarHBondContact O-N 3.49Å; D757-N761 PolarHBondContact O-ND2 2.95Å |
| 758 | L | 87.7 | Confident | 86 | Confident | 92 Ų | 92 | 96 Ų | 96 | 48% | 0.482 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.9 | -38.1 | 175.5 | 179.4 | 62.7 | 0 | 0 | 0 | 112.4 | E754 E755 R756 K762 | E754-L758 WeakPolarHBondContact O-CB 3.48Å; E754-L758 PolarHBondContact O-N 2.88Å; E755-L758 PolarHBondContact O-N 3.05Å; R756-L758 VanDerWaalsContact C-N 3.32Å; R756-L758 PolarHBondContact O-N 3.44Å; L758-K762 HydrophobicContact CG-CD 4.31Å; L758-K762 WeakPolarHBondContact O-CB 3.24Å; L758-K762 WeakPolarHBondContact O-CD 3.32Å; L758-K762 WeakPolarHBondContact O-CG 3.37Å; L758-K762 PolarHBondContact O-N 3.39Å |
| 759 | L | 85.6 | Confident | 85.8 | Confident | 112 Ų | 112 | 95.1 Ų | 95.1 | 59% | 0.586 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -69.8 | -39.2 | 174.9 | -75.9 | 169.2 | 0 | 0 | 0 | 111.6 | E755 R756 K762 L763 | E755-L759 WeakPolarHBondContact O-CB 3.23Å; E755-L759 VanDerWaalsContact O-CG 3.25Å; E755-L759 WeakPolarHBondContact O-CG 3.39Å; E755-L759 PolarHBondContact O-N 3.14Å; R756-L759 PolarHBondContact O-N 3.07Å; L759-K762 PolarHBondContact O-N 3.39Å; L759-L763 VanDerWaalsContact O-CB 3.3Å; L759-L763 WeakPolarHBondContact O-CB 3.44Å; L759-L763 PolarHBondContact O-N 2.89Å |
| 760 | E | 87 | Confident | 85.6 | Confident | 106 Ų | 106 | 95 Ų | 95 | 50% | 0.495 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65 | -44.7 | 175.4 | -173.9 | 166.1 | -170.6 | 0 | 0 | 111.2 | R756 D757 K762 L763 L764 | R756-E760 WeakPolarHBondContact O-CB 3.33Å; R756-E760 PolarHBondContact O-N 2.87Å; D757-E760 PolarHBondContact O-N 2.91Å; E760-K762 PolarHBondContact O-N 3.29Å; E760-L763 PolarHBondContact O-N 3.31Å; E760-L764 HydrophobicContact CG-CD1 4.43Å; E760-L764 WeakPolarHBondContact O-CB 3.49Å; E760-L764 WeakPolarHBondContact O-CG 3.28Å; E760-L764 PolarHBondContact O-N 3.12Å |
| 761 | N | 86.7 | Confident | 85.6 | Confident | 105 Ų | 105 | 96.3 Ų | 96.3 | 56% | 0.561 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62 | -39.8 | 171.9 | -82.3 | -79.1 | 0 | 0 | 0 | 112.6 | D757 H765 | D757-N761 WeakPolarHBondContact O-CB 3.3Å; D757-N761 PolarHBondContact O-N 3.49Å; D757-N761 PolarHBondContact O-ND2 2.95Å; N761-H765 WeakPolarHBondContact O-CB 3.08Å; N761-H765 PolarHBondContact O-N 2.96Å |
| 762 | K | 87.2 | Confident | 85.4 | Confident | 117 Ų | 117 | 97 Ų | 97 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.7 | -37.8 | 173.2 | -76.7 | 165.7 | -178.1 | 169.2 | 0 | 112.1 | L758 L759 E760 H765 A766 | L758-K762 HydrophobicContact CG-CD 4.31Å; L758-K762 WeakPolarHBondContact O-CB 3.24Å; L758-K762 WeakPolarHBondContact O-CD 3.32Å; L758-K762 WeakPolarHBondContact O-CG 3.37Å; L758-K762 PolarHBondContact O-N 3.39Å; L759-K762 PolarHBondContact O-N 3.39Å; E760-K762 PolarHBondContact O-N 3.29Å; K762-H765 PolarHBondContact O-N 2.8Å; K762-A766 VanDerWaalsContact O-CB 3.31Å; K762-A766 WeakPolarHBondContact O-CB 3.43Å; K762-A766 PolarHBondContact O-N 3.28Å |
| 763 | L | 84.9 | Confident | 85.3 | Confident | 101 Ų | 101 | 100.5 Ų | 100.5 | 53% | 0.529 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -73.5 | -37.8 | 179.1 | -175 | 143.2 | 0 | 0 | 0 | 111.7 | L759 E760 H765 A766 N767 | L759-L763 VanDerWaalsContact O-CB 3.3Å; L759-L763 WeakPolarHBondContact O-CB 3.44Å; L759-L763 PolarHBondContact O-N 2.89Å; E760-L763 PolarHBondContact O-N 3.31Å; L763-H765 VanDerWaalsContact C-N 3.35Å; L763-A766 PolarHBondContact O-N 3.46Å; L763-N767 WeakPolarHBondContact CD2-ND2 3.37Å; L763-N767 WeakPolarHBondContact O-CB 3.08Å; L763-N767 VanDerWaalsContact O-CG 3.23Å; L763-N767 PolarHBondContact O-N 3.2Å |
| 764 | L | 84.6 | Confident | 85.1 | Confident | 104 Ų | 104 | 98.9 Ų | 98.9 | 55% | 0.545 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 169.1 | -72.4 | 168.7 | 0 | 0 | 0 | 111.4 | E760 N767 G768 | E760-L764 HydrophobicContact CG-CD1 4.43Å; E760-L764 WeakPolarHBondContact O-CB 3.49Å; E760-L764 WeakPolarHBondContact O-CG 3.28Å; E760-L764 PolarHBondContact O-N 3.12Å; L764-N767 PolarHBondContact O-N 3.4Å; L764-G768 PolarHBondContact O-N 3.36Å |
| 765 | H | 82.9 | Confident | 85 | Confident | 135 Ų | 135 | 95.8 Ų | 95.8 | 63% | 0.625 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.5 | -36.3 | 174.3 | -169 | 66.5 | 0 | 0 | 0 | 112.5 | N761 K762 L763 T769 | N761-H765 WeakPolarHBondContact O-CB 3.08Å; N761-H765 PolarHBondContact O-N 2.96Å; K762-H765 PolarHBondContact O-N 2.8Å; L763-H765 VanDerWaalsContact C-N 3.35Å; H765-T769 WeakPolarHBondContact O-CB 3.46Å; H765-T769 WeakPolarHBondContact O-CG2 3.49Å; H765-T769 PolarHBondContact O-N 2.85Å; H765-T769 PolarHBondContact O-OG1 2.71Å |
| 766 | A | 82.7 | Confident | 84.9 | Confident | 49 Ų | 49 | 95 Ų | 95 | 41% | 0.405 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.3 | -41.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | K762 L763 T769 S770 | K762-A766 VanDerWaalsContact O-CB 3.31Å; K762-A766 WeakPolarHBondContact O-CB 3.43Å; K762-A766 PolarHBondContact O-N 3.28Å; L763-A766 PolarHBondContact O-N 3.46Å; A766-T769 WeakPolarHBondContact CA-OG1 3.47Å; A766-T769 PolarHBondContact O-OG1 2.94Å; A766-S770 WeakPolarHBondContact O-CB 3.47Å; A766-S770 PolarHBondContact O-N 2.79Å |
| 767 | N | 84.6 | Confident | 84.6 | Confident | 93 Ų | 93 | 96.4 Ų | 96.4 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.3 | -41.5 | 176 | -72.6 | -9.9 | 0 | 0 | 0 | 111.6 | L763 L764 S770 S771 | L763-N767 WeakPolarHBondContact CD2-ND2 3.37Å; L763-N767 WeakPolarHBondContact O-CB 3.08Å; L763-N767 VanDerWaalsContact O-CG 3.23Å; L763-N767 PolarHBondContact O-N 3.2Å; L764-N767 PolarHBondContact O-N 3.4Å; N767-S770 PolarHBondContact O-N 2.79Å; N767-S771 WeakPolarHBondContact O-CB 3.47Å; N767-S771 PolarHBondContact O-N 2.9Å |
| 768 | G | 84.4 | Confident | 84.5 | Confident | 43 Ų | 43 | 96.4 Ų | 96.4 | 44% | 0.443 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.8 | -50.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L764 S770 S771 D772 | L764-G768 PolarHBondContact O-N 3.36Å; G768-S770 VanDerWaalsContact C-N 3.34Å; G768-S770 PolarHBondContact O-N 2.91Å; G768-S771 PolarHBondContact O-N 3.3Å; G768-D772 WeakPolarHBondContact O-CB 3.41Å; G768-D772 PolarHBondContact O-N 2.77Å |
| 769 | T | 83.1 | Confident | 84.1 | Confident | 51 Ų | 51 | 93.5 Ų | 93.5 | 31% | 0.313 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67 | -31.5 | 176.3 | 51.4 | 0 | 0 | 0 | 0 | 113.1 | H765 A766 D772 W773 | H765-T769 WeakPolarHBondContact O-CB 3.46Å; H765-T769 WeakPolarHBondContact O-CG2 3.49Å; H765-T769 PolarHBondContact O-N 2.85Å; H765-T769 PolarHBondContact O-OG1 2.71Å; A766-T769 WeakPolarHBondContact CA-OG1 3.47Å; A766-T769 PolarHBondContact O-OG1 2.94Å; T769-D772 VanDerWaalsContact O-CB 3.3Å; T769-D772 WeakPolarHBondContact O-CB 3.39Å; T769-D772 PolarHBondContact O-N 2.85Å; T769-W773 WeakPolarHBondContact O-CB 3.45Å; T769-W773 PolarHBondContact O-N 3.43Å |
| 770 | S | 82.1 | Confident | 83.7 | Confident | 68 Ų | 68 | 90.4 Ų | 90.4 | 48% | 0.476 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.7 | -45.4 | 172.4 | -171.3 | 0 | 0 | 0 | 0 | 111.6 | A766 N767 G768 D772 W773 E774 | A766-S770 WeakPolarHBondContact O-CB 3.47Å; A766-S770 PolarHBondContact O-N 2.79Å; N767-S770 PolarHBondContact O-N 2.79Å; G768-S770 VanDerWaalsContact C-N 3.34Å; G768-S770 PolarHBondContact O-N 2.91Å; S770-D772 VanDerWaalsContact C-N 3.31Å; S770-D772 PolarHBondContact O-N 2.86Å; S770-W773 CarbonylContact O-C 3.55Å; S770-W773 WeakPolarHBondContact O-CA 3.49Å; S770-W773 PolarHBondContact O-N 2.86Å; S770-W773 VanDerWaalsContact O-N 3.1Å; S770-E774 WeakPolarHBondContact O-CB 3.44Å; S770-E774 PolarHBondContact O-N 3.4Å |
| 771 | S | 83.6 | Confident | 83.4 | Confident | 72 Ų | 72 | 87.6 Ų | 87.6 | 50% | 0.503 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.5 | -36.3 | 174.3 | -169 | 0 | 0 | 0 | 0 | 111.9 | N767 G768 E774 S775 | N767-S771 WeakPolarHBondContact O-CB 3.47Å; N767-S771 PolarHBondContact O-N 2.9Å; G768-S771 PolarHBondContact O-N 3.3Å; S771-E774 PolarHBondContact O-N 2.79Å; S771-S775 WeakPolarHBondContact O-CB 3.27Å; S771-S775 PolarHBondContact O-N 3.47Å |
| 772 | D | 83.2 | Confident | 83.1 | Confident | 85 Ų | 85 | 90 Ų | 90 | 46% | 0.455 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 169.8 | -121.9 | 33.5 | 0 | 0 | 0 | 111.9 | G768 T769 S770 K776 | G768-D772 WeakPolarHBondContact O-CB 3.41Å; G768-D772 PolarHBondContact O-N 2.77Å; T769-D772 VanDerWaalsContact O-CB 3.3Å; T769-D772 WeakPolarHBondContact O-CB 3.39Å; T769-D772 PolarHBondContact O-N 2.85Å; S770-D772 VanDerWaalsContact C-N 3.31Å; S770-D772 PolarHBondContact O-N 2.86Å; D772-K776 WeakPolarHBondContact O-CB 3.27Å; D772-K776 VanDerWaalsContact O-CD 3.23Å; D772-K776 WeakPolarHBondContact O-CD 3.37Å; D772-K776 WeakPolarHBondContact O-CG 3.44Å; D772-K776 PolarHBondContact O-N 3.24Å; D772-K776 IonicContact OD2-NZ 3.28Å; D772-K776 PolarHBondContact OD2-NZ 3.49Å |
| 773 | W | 84.8 | Confident | 82.6 | Confident | 180 Ų | 180 | 90.1 Ų | 90.1 | 68% | 0.682 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -71.3 | -36.8 | 176.4 | -83.3 | 118.7 | 0 | 0 | 0 | 112.7 | T769 S770 K776 Y777 | T769-W773 WeakPolarHBondContact O-CB 3.45Å; T769-W773 PolarHBondContact O-N 3.43Å; S770-W773 CarbonylContact O-C 3.55Å; S770-W773 WeakPolarHBondContact O-CA 3.49Å; S770-W773 PolarHBondContact O-N 2.86Å; S770-W773 VanDerWaalsContact O-N 3.1Å; W773-K776 HydrophobicContact CE3-CD 4.32Å; W773-K776 PolarHBondContact O-N 3.05Å; W773-Y777 WeakPolarHBondContact O-CB 3.39Å; W773-Y777 PolarHBondContact O-N 2.89Å |
| 774 | E | 83.5 | Confident | 82.2 | Confident | 118 Ų | 118 | 88.2 Ų | 88.2 | 55% | 0.551 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -67 | -42.2 | 172.9 | -179.4 | 176.7 | -164.4 | 0 | 0 | 110.8 | S770 S771 Y777 N778 | S770-E774 WeakPolarHBondContact O-CB 3.44Å; S770-E774 PolarHBondContact O-N 3.4Å; S771-E774 PolarHBondContact O-N 2.79Å; E774-Y777 PolarHBondContact O-N 2.7Å; E774-N778 WeakPolarHBondContact CG-ND2 3.49Å; E774-N778 VanDerWaalsContact O-CB 3.27Å; E774-N778 WeakPolarHBondContact O-CB 3.31Å; E774-N778 VanDerWaalsContact O-CG 3.32Å; E774-N778 PolarHBondContact O-N 2.95Å; E774-N778 PolarHBondContact O-ND2 3.43Å; E774-N778 VanDerWaalsContact O-ND2 3.14Å |
| 775 | S | 82.3 | Confident | 82 | Confident | 70 Ų | 70 | 87.8 Ų | 87.8 | 49% | 0.49 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 173.4 | -174.2 | 0 | 0 | 0 | 0 | 111.4 | S771 N778 A779 | S771-S775 WeakPolarHBondContact O-CB 3.27Å; S771-S775 PolarHBondContact O-N 3.47Å; S775-N778 PolarHBondContact O-N 2.91Å; S775-A779 WeakPolarHBondContact O-CB 3.45Å; S775-A779 PolarHBondContact O-N 3.42Å |
| 776 | K | 85 | Confident | 81.9 | Confident | 98 Ų | 98 | 87.8 Ų | 87.8 | 43% | 0.426 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.6 | -39.2 | 173.2 | -72.5 | 159.1 | -161.8 | 156.6 | 0 | 112.4 | D772 W773 A779 A780 | D772-K776 WeakPolarHBondContact O-CB 3.27Å; D772-K776 VanDerWaalsContact O-CD 3.23Å; D772-K776 WeakPolarHBondContact O-CD 3.37Å; D772-K776 WeakPolarHBondContact O-CG 3.44Å; D772-K776 PolarHBondContact O-N 3.24Å; D772-K776 IonicContact OD2-NZ 3.28Å; D772-K776 PolarHBondContact OD2-NZ 3.49Å; W773-K776 HydrophobicContact CE3-CD 4.32Å; W773-K776 PolarHBondContact O-N 3.05Å; K776-A779 PolarHBondContact O-N 3.24Å; K776-A780 VanDerWaalsContact O-CB 3.29Å; K776-A780 WeakPolarHBondContact O-CB 3.31Å; K776-A780 PolarHBondContact O-N 3.2Å |
| 777 | Y | 83.2 | Confident | 81.7 | Confident | 157 Ų | 157 | 90.2 Ų | 90.2 | 62% | 0.616 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.9 | -42.4 | 175.5 | 175.7 | -95.4 | 0 | 0 | 0 | 111.4 | W773 E774 A779 A780 T781 | W773-Y777 WeakPolarHBondContact O-CB 3.39Å; W773-Y777 PolarHBondContact O-N 2.89Å; E774-Y777 PolarHBondContact O-N 2.7Å; Y777-A779 VanDerWaalsContact C-N 3.33Å; Y777-A780 PolarHBondContact O-N 3.49Å; Y777-T781 WeakPolarHBondContact O-CB 3.4Å; Y777-T781 PolarHBondContact O-N 3.48Å; Y777-T781 PolarHBondContact O-OG1 2.9Å |
| 778 | N | 85 | Confident | 81.4 | Confident | 69 Ų | 69 | 89 Ų | 89 | 37% | 0.369 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -71.3 | -26.9 | 175.3 | -74.6 | -38.5 | 0 | 0 | 0 | 112.2 | E774 S775 R782 | E774-N778 WeakPolarHBondContact CG-ND2 3.49Å; E774-N778 VanDerWaalsContact O-CB 3.27Å; E774-N778 WeakPolarHBondContact O-CB 3.31Å; E774-N778 VanDerWaalsContact O-CG 3.32Å; E774-N778 PolarHBondContact O-N 2.95Å; E774-N778 PolarHBondContact O-ND2 3.43Å; E774-N778 VanDerWaalsContact O-ND2 3.14Å; S775-N778 PolarHBondContact O-N 2.91Å; N778-R782 WeakPolarHBondContact O-CG 3.28Å; N778-R782 PolarHBondContact O-N 2.98Å; N778-R782 PolarHBondContact O-NE 2.88Å |
| 779 | A | 79.8 | Confident | 81.2 | Confident | 30 Ų | 30 | 90.7 Ų | 90.7 | 25% | 0.248 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -70.2 | -53.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111 | S775 K776 Y777 T781 R782 E783 | S775-A779 WeakPolarHBondContact O-CB 3.45Å; S775-A779 PolarHBondContact O-N 3.42Å; K776-A779 PolarHBondContact O-N 3.24Å; Y777-A779 VanDerWaalsContact C-N 3.33Å; A779-T781 PolarHBondContact O-N 2.94Å; A779-R782 CarbonylContact O-C 3.58Å; A779-R782 WeakPolarHBondContact O-CA 3.25Å; A779-R782 WeakPolarHBondContact O-CB 3.25Å; A779-R782 PolarHBondContact O-N 2.91Å; A779-E783 WeakPolarHBondContact O-CG 3.4Å; A779-E783 PolarHBondContact O-N 3.01Å |
| 780 | A | 78.1 | Confident | 80.9 | Confident | 48 Ų | 48 | 91 Ų | 91 | 40% | 0.397 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.7 | -29.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | K776 Y777 S784 | K776-A780 VanDerWaalsContact O-CB 3.29Å; K776-A780 WeakPolarHBondContact O-CB 3.31Å; K776-A780 PolarHBondContact O-N 3.2Å; Y777-A780 PolarHBondContact O-N 3.49Å; A780-S784 WeakPolarHBondContact O-CB 3.46Å; A780-S784 PolarHBondContact O-N 3.35Å |
| 781 | T | 80 | Confident | 80.7 | Confident | 46 Ų | 46 | 91.6 Ų | 91.6 | 28% | 0.282 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -73 | -36.2 | 172.6 | -60.4 | 0 | 0 | 0 | 0 | 111.4 | Y777 A779 N785 | Y777-T781 WeakPolarHBondContact O-CB 3.4Å; Y777-T781 PolarHBondContact O-N 3.48Å; Y777-T781 PolarHBondContact O-OG1 2.9Å; A779-T781 PolarHBondContact O-N 2.94Å; T781-N785 VanDerWaalsContact O-CB 3.29Å; T781-N785 WeakPolarHBondContact O-CB 3.26Å; T781-N785 PolarHBondContact O-N 2.91Å; T781-N785 PolarHBondContact O-ND2 2.82Å |
| 782 | R | 79.3 | Confident | 80.3 | Confident | 157 Ų | 157 | 91.6 Ų | 91.6 | 59% | 0.592 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -68 | -44.1 | 171.1 | -80.3 | 173.4 | -74.5 | 163.7 | -3.1 | 111.6 | N778 A779 N785 Q786 | N778-R782 WeakPolarHBondContact O-CG 3.28Å; N778-R782 PolarHBondContact O-N 2.98Å; N778-R782 PolarHBondContact O-NE 2.88Å; A779-R782 CarbonylContact O-C 3.58Å; A779-R782 WeakPolarHBondContact O-CA 3.25Å; A779-R782 WeakPolarHBondContact O-CB 3.25Å; A779-R782 PolarHBondContact O-N 2.91Å; R782-N785 PolarHBondContact O-N 3.08Å; R782-Q786 VanDerWaalsContact O-CB 3.28Å; R782-Q786 WeakPolarHBondContact O-CB 3.32Å; R782-Q786 PolarHBondContact O-N 3.23Å |
| 783 | E | 77.8 | Confident | 80 | Confident | 118 Ų | 118 | 92 Ų | 92 | 55% | 0.551 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60 | -47 | 172.7 | -70.3 | 171.4 | 179.4 | 0 | 0 | 111 | A779 N785 Q786 I787 | A779-E783 WeakPolarHBondContact O-CG 3.4Å; A779-E783 PolarHBondContact O-N 3.01Å; E783-N785 PolarHBondContact O-N 3.31Å; E783-Q786 CarbonylContact O-C 3.59Å; E783-Q786 PolarHBondContact O-N 2.85Å; E783-I787 WeakPolarHBondContact O-CB 3.23Å; E783-I787 VanDerWaalsContact O-CG1 3.24Å; E783-I787 WeakPolarHBondContact O-CG1 3.1Å; E783-I787 PolarHBondContact O-N 3.28Å |
| 784 | S | 75.4 | Confident | 79.6 | Confident | 61 Ų | 61 | 86 Ų | 86 | 43% | 0.427 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 175.6 | -176.5 | 0 | 0 | 0 | 0 | 112 | A780 Q786 I787 V788 | A780-S784 WeakPolarHBondContact O-CB 3.46Å; A780-S784 PolarHBondContact O-N 3.35Å; S784-Q786 VanDerWaalsContact C-N 3.34Å; S784-Q786 PolarHBondContact O-N 3.43Å; S784-I787 CarbonylContact O-C 3.55Å; S784-I787 PolarHBondContact O-N 3.03Å; S784-V788 WeakPolarHBondContact O-CB 3.27Å; S784-V788 VanDerWaalsContact O-CG2 3.31Å; S784-V788 WeakPolarHBondContact O-CG2 3.29Å; S784-V788 PolarHBondContact O-N 3.38Å |
| 785 | N | 81.6 | Confident | 79.5 | Confident | 95 Ų | 95 | 87.4 Ų | 87.4 | 51% | 0.508 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.3 | -38.1 | 174.6 | -75 | -24 | 0 | 0 | 0 | 112 | T781 R782 E783 V788 S789 | T781-N785 VanDerWaalsContact O-CB 3.29Å; T781-N785 WeakPolarHBondContact O-CB 3.26Å; T781-N785 PolarHBondContact O-N 2.91Å; T781-N785 PolarHBondContact O-ND2 2.82Å; R782-N785 PolarHBondContact O-N 3.08Å; E783-N785 PolarHBondContact O-N 3.31Å; N785-V788 PolarHBondContact O-N 3.36Å; N785-S789 WeakPolarHBondContact O-CB 3.35Å; N785-S789 PolarHBondContact O-N 2.82Å; N785-S789 PolarHBondContact O-OG 3.27Å; N785-S789 VanDerWaalsContact O-OG 3.06Å |
| 786 | Q | 79.9 | Confident | 79.3 | Confident | 136 Ų | 136 | 87.8 Ų | 87.8 | 64% | 0.636 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -67.8 | -38 | 174.8 | -174.3 | 172.2 | -12.4 | 0 | 0 | 111.7 | R782 E783 S784 S789 S790 | R782-Q786 VanDerWaalsContact O-CB 3.28Å; R782-Q786 WeakPolarHBondContact O-CB 3.32Å; R782-Q786 PolarHBondContact O-N 3.23Å; E783-Q786 CarbonylContact O-C 3.59Å; E783-Q786 PolarHBondContact O-N 2.85Å; S784-Q786 VanDerWaalsContact C-N 3.34Å; S784-Q786 PolarHBondContact O-N 3.43Å; Q786-S789 PolarHBondContact O-N 2.83Å; Q786-S790 WeakPolarHBondContact O-CB 3.43Å; Q786-S790 PolarHBondContact O-N 3.2Å; Q786-S790 PolarHBondContact O-OG 2.95Å; Q786-S790 VanDerWaalsContact O-OG 3.1Å |
| 787 | I | 78.8 | Confident | 78.9 | Confident | 100 Ų | 100 | 86.7 Ų | 86.7 | 51% | 0.513 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 171.8 | -70.8 | 162.7 | 0 | 0 | 0 | 110.4 | E783 S784 S790 L791 | E783-I787 WeakPolarHBondContact O-CB 3.23Å; E783-I787 VanDerWaalsContact O-CG1 3.24Å; E783-I787 WeakPolarHBondContact O-CG1 3.1Å; E783-I787 PolarHBondContact O-N 3.28Å; S784-I787 CarbonylContact O-C 3.55Å; S784-I787 PolarHBondContact O-N 3.03Å; I787-S790 CarbonylContact O-C 3.49Å; I787-S790 PolarHBondContact O-N 3.32Å; I787-L791 HydrophobicContact CG2-CD1 3.86Å; I787-L791 HydrophobicContact CG2-CG 4.28Å; I787-L791 VanDerWaalsContact O-CB 3.3Å; I787-L791 WeakPolarHBondContact O-CB 3.43Å; I787-L791 VanDerWaalsContact O-CG 3.26Å; I787-L791 WeakPolarHBondContact O-CG 3.15Å; I787-L791 PolarHBondContact O-N 3.41Å |
| 788 | V | 78.5 | Confident | 78.8 | Confident | 66 Ų | 66 | 82.5 Ų | 82.5 | 40% | 0.4 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 175.1 | 167.8 | 0 | 0 | 0 | 0 | 111.3 | S784 N785 L791 N792 | S784-V788 WeakPolarHBondContact O-CB 3.27Å; S784-V788 VanDerWaalsContact O-CG2 3.31Å; S784-V788 WeakPolarHBondContact O-CG2 3.29Å; S784-V788 PolarHBondContact O-N 3.38Å; N785-V788 PolarHBondContact O-N 3.36Å; V788-L791 PolarHBondContact O-N 3.45Å; V788-N792 WeakPolarHBondContact O-CB 3.26Å; V788-N792 VanDerWaalsContact O-CG 3.29Å; V788-N792 PolarHBondContact O-N 3.16Å; V788-N792 PolarHBondContact O-ND2 3.46Å |
| 789 | S | 79.5 | Confident | 78.7 | Confident | 79 Ų | 79 | 80.8 Ų | 80.8 | 55% | 0.552 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -61.2 | -46.1 | 171.5 | -66.3 | 0 | 0 | 0 | 0 | 111.5 | N785 Q786 N792 L793 | N785-S789 WeakPolarHBondContact O-CB 3.35Å; N785-S789 PolarHBondContact O-N 2.82Å; N785-S789 PolarHBondContact O-OG 3.27Å; N785-S789 VanDerWaalsContact O-OG 3.06Å; Q786-S789 PolarHBondContact O-N 2.83Å; S789-N792 PolarHBondContact O-N 3.42Å; S789-L793 WeakPolarHBondContact O-CB 3.38Å; S789-L793 PolarHBondContact O-N 3.17Å |
| 790 | S | 78 | Confident | 78.6 | Confident | 58 Ų | 58 | 81.8 Ų | 81.8 | 41% | 0.406 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 174.8 | -69.5 | 0 | 0 | 0 | 0 | 112.5 | Q786 I787 L793 I794 | Q786-S790 WeakPolarHBondContact O-CB 3.43Å; Q786-S790 PolarHBondContact O-N 3.2Å; Q786-S790 PolarHBondContact O-OG 2.95Å; Q786-S790 VanDerWaalsContact O-OG 3.1Å; I787-S790 CarbonylContact O-C 3.49Å; I787-S790 PolarHBondContact O-N 3.32Å; S790-L793 WeakPolarHBondContact O-CB 3.31Å; S790-L793 PolarHBondContact O-N 2.97Å; S790-I794 WeakPolarHBondContact O-CB 3.49Å; S790-I794 WeakPolarHBondContact O-CD1 3.37Å; S790-I794 WeakPolarHBondContact O-CG1 3.48Å; S790-I794 PolarHBondContact O-N 3.19Å |
| 791 | L | 77.3 | Confident | 78.7 | Confident | 81 Ų | 81 | 84.7 Ų | 84.7 | 42% | 0.424 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -68.2 | -34.6 | 176.5 | -77.2 | 171.1 | 0 | 0 | 0 | 112.2 | I787 V788 R795 | I787-L791 HydrophobicContact CG2-CD1 3.86Å; I787-L791 HydrophobicContact CG2-CG 4.28Å; I787-L791 VanDerWaalsContact O-CB 3.3Å; I787-L791 WeakPolarHBondContact O-CB 3.43Å; I787-L791 VanDerWaalsContact O-CG 3.26Å; I787-L791 WeakPolarHBondContact O-CG 3.15Å; I787-L791 PolarHBondContact O-N 3.41Å; V788-L791 PolarHBondContact O-N 3.45Å; L791-R795 WeakPolarHBondContact O-CB 3.19Å; L791-R795 VanDerWaalsContact O-CG 3.26Å; L791-R795 WeakPolarHBondContact O-CG 3.49Å; L791-R795 PolarHBondContact O-N 3.3Å |
| 792 | N | 75.7 | Confident | 78.6 | Confident | 71 Ų | 71 | 87.2 Ų | 87.2 | 38% | 0.38 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -69.7 | -38.9 | 171.2 | -72.7 | -26.1 | 0 | 0 | 0 | 111.2 | V788 S789 R795 E796 | V788-N792 WeakPolarHBondContact O-CB 3.26Å; V788-N792 VanDerWaalsContact O-CG 3.29Å; V788-N792 PolarHBondContact O-N 3.16Å; V788-N792 PolarHBondContact O-ND2 3.46Å; S789-N792 PolarHBondContact O-N 3.42Å; N792-R795 PolarHBondContact O-N 3.35Å; N792-R795 PolarHBondContact OD1-NH1 3.11Å; N792-E796 PolarHBondContact O-N 3.15Å |
| 793 | L | 76.6 | Confident | 78.5 | Confident | 93 Ų | 93 | 82.1 Ų | 82.1 | 49% | 0.487 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 172.5 | -152.9 | 76.4 | 0 | 0 | 0 | 111.3 | K186 S789 S790 R795 E796 E797 | K186-L793 VanDerWaalsContact NZ-CD2 3.29Å; S789-L793 WeakPolarHBondContact O-CB 3.38Å; S789-L793 PolarHBondContact O-N 3.17Å; S790-L793 WeakPolarHBondContact O-CB 3.31Å; S790-L793 PolarHBondContact O-N 2.97Å; L793-R795 VanDerWaalsContact C-N 3.32Å; L793-R795 PolarHBondContact O-N 3.3Å; L793-E796 PolarHBondContact O-N 2.87Å; L793-E797 WeakPolarHBondContact O-CB 3.42Å; L793-E797 WeakPolarHBondContact O-CG 3.14Å; L793-E797 PolarHBondContact O-N 3.49Å |
| 794 | I | 76.8 | Confident | 78.5 | Confident | 55 Ų | 55 | 80.1 Ų | 80.1 | 28% | 0.282 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.6 | -36.3 | 174.7 | -69.1 | 160.2 | 0 | 0 | 0 | 111 | S790 E797 V798 | S790-I794 WeakPolarHBondContact O-CB 3.49Å; S790-I794 WeakPolarHBondContact O-CD1 3.37Å; S790-I794 WeakPolarHBondContact O-CG1 3.48Å; S790-I794 PolarHBondContact O-N 3.19Å; I794-E797 PolarHBondContact O-N 3.41Å; I794-V798 HydrophobicContact CG2-CG2 4.31Å; I794-V798 WeakPolarHBondContact O-CB 3.22Å; I794-V798 VanDerWaalsContact O-CG2 3.24Å; I794-V798 WeakPolarHBondContact O-CG2 3.26Å; I794-V798 PolarHBondContact O-N 3.41Å |
| 795 | R | 80.4 | Confident | 79 | Confident | 147 Ų | 147 | 83.6 Ų | 83.6 | 56% | 0.555 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -66.4 | -40.8 | 174.4 | -78.6 | 169.4 | -176.3 | 155.7 | -1.5 | 112.6 | L791 N792 L793 K799 | L791-R795 WeakPolarHBondContact O-CB 3.19Å; L791-R795 VanDerWaalsContact O-CG 3.26Å; L791-R795 WeakPolarHBondContact O-CG 3.49Å; L791-R795 PolarHBondContact O-N 3.3Å; N792-R795 PolarHBondContact O-N 3.35Å; N792-R795 PolarHBondContact OD1-NH1 3.11Å; L793-R795 VanDerWaalsContact C-N 3.32Å; L793-R795 PolarHBondContact O-N 3.3Å; R795-K799 WeakPolarHBondContact O-CB 3.22Å; R795-K799 WeakPolarHBondContact O-CG 3.3Å; R795-K799 PolarHBondContact O-N 2.96Å |
| 796 | E | 78.3 | Confident | 79 | Confident | 79 Ų | 79 | 81.7 Ų | 81.7 | 37% | 0.369 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -74.1 | -31.6 | 175.3 | -58.3 | -50.6 | 123.8 | 0 | 0 | 111.8 | N792 L793 K799 T800 | N792-E796 PolarHBondContact O-N 3.15Å; L793-E796 PolarHBondContact O-N 2.87Å; E796-K799 VanDerWaalsContact CD-NZ 3.29Å; E796-K799 PolarHBondContact O-N 2.92Å; E796-K799 WeakPolarHBondContact OE1-CD 3.44Å; E796-K799 WeakPolarHBondContact OE1-CE 3.3Å; E796-K799 IonicContact OE1-NZ 2.73Å; E796-K799 PolarHBondContact OE1-NZ 2.95Å; E796-K799 WeakPolarHBondContact OE2-CD 3.17Å; E796-K799 IonicContact OE2-NZ 2.88Å; E796-K799 PolarHBondContact OE2-NZ 3.27Å; E796-T800 WeakPolarHBondContact O-CB 3.45Å; E796-T800 WeakPolarHBondContact O-CG2 3.38Å; E796-T800 PolarHBondContact O-N 2.99Å; E796-T800 PolarHBondContact O-OG1 3.31Å |
| 797 | E | 77 | Confident | 79 | Confident | 74 Ų | 74 | 78.2 Ų | 78.2 | 35% | 0.346 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 168.6 | -74.8 | 175.8 | 161.1 | 0 | 0 | 111.4 | K186 L793 I794 T800 L801 | K186-E797 IonicContact NZ-OE1 2.69Å; K186-E797 PolarHBondContact NZ-OE1 3.35Å; K186-E797 IonicContact NZ-OE2 3.21Å; L793-E797 WeakPolarHBondContact O-CB 3.42Å; L793-E797 WeakPolarHBondContact O-CG 3.14Å; L793-E797 PolarHBondContact O-N 3.49Å; I794-E797 PolarHBondContact O-N 3.41Å; E797-T800 WeakPolarHBondContact CA-OG1 3.3Å; E797-T800 PolarHBondContact O-N 2.97Å; E797-T800 PolarHBondContact O-OG1 3.27Å; E797-L801 WeakPolarHBondContact O-CB 3.43Å; E797-L801 VanDerWaalsContact O-CG 3.3Å; E797-L801 WeakPolarHBondContact O-CG 3.38Å; E797-L801 PolarHBondContact O-N 3.32Å |
| 798 | V | 81.5 | Confident | 79.1 | Confident | 69 Ų | 69 | 79.4 Ų | 79.4 | 42% | 0.418 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.1 | -44 | 173.7 | 167.4 | 0 | 0 | 0 | 0 | 111.2 | I794 T800 L801 E802 | I794-V798 HydrophobicContact CG2-CG2 4.31Å; I794-V798 WeakPolarHBondContact O-CB 3.22Å; I794-V798 VanDerWaalsContact O-CG2 3.24Å; I794-V798 WeakPolarHBondContact O-CG2 3.26Å; I794-V798 PolarHBondContact O-N 3.41Å; V798-T800 VanDerWaalsContact C-N 3.31Å; V798-T800 PolarHBondContact O-N 3.45Å; V798-L801 CarbonylContact O-C 3.57Å; V798-L801 PolarHBondContact O-N 2.92Å; V798-E802 HydrophobicContact CG1-CG 4.36Å; V798-E802 WeakPolarHBondContact O-CB 3.38Å; V798-E802 WeakPolarHBondContact O-CG 3.4Å; V798-E802 PolarHBondContact O-N 3.37Å |
| 799 | K | 82 | Confident | 79.2 | Confident | 33 Ų | 33 | 82 Ų | 82 | 14% | 0.143 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -59.5 | -40.1 | 173.6 | -79 | 170.3 | 174.6 | -178.3 | 0 | 112.4 | Y91 R795 E796 E802 M803 | Y91-K799 PolarHBondContact OH-NZ 2.77Å; R795-K799 WeakPolarHBondContact O-CB 3.22Å; R795-K799 WeakPolarHBondContact O-CG 3.3Å; R795-K799 PolarHBondContact O-N 2.96Å; E796-K799 VanDerWaalsContact CD-NZ 3.29Å; E796-K799 PolarHBondContact O-N 2.92Å; E796-K799 WeakPolarHBondContact OE1-CD 3.44Å; E796-K799 WeakPolarHBondContact OE1-CE 3.3Å; E796-K799 IonicContact OE1-NZ 2.73Å; E796-K799 PolarHBondContact OE1-NZ 2.95Å; E796-K799 WeakPolarHBondContact OE2-CD 3.17Å; E796-K799 IonicContact OE2-NZ 2.88Å; E796-K799 PolarHBondContact OE2-NZ 3.27Å; K799-E802 PolarHBondContact O-N 3.06Å; K799-M803 VanDerWaalsContact O-CB 3.31Å; K799-M803 WeakPolarHBondContact O-CB 3.45Å; K799-M803 PolarHBondContact O-N 3.42Å |
| 800 | T | 77.8 | Confident | 79.3 | Confident | 52 Ų | 52 | 84.1 Ų | 84.1 | 32% | 0.319 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -72.6 | -30.4 | 177.2 | 47.6 | 0 | 0 | 0 | 0 | 112.1 | E796 E797 V798 M803 Q804 | E796-T800 WeakPolarHBondContact O-CB 3.45Å; E796-T800 WeakPolarHBondContact O-CG2 3.38Å; E796-T800 PolarHBondContact O-N 2.99Å; E796-T800 PolarHBondContact O-OG1 3.31Å; E797-T800 WeakPolarHBondContact CA-OG1 3.3Å; E797-T800 PolarHBondContact O-N 2.97Å; E797-T800 PolarHBondContact O-OG1 3.27Å; V798-T800 VanDerWaalsContact C-N 3.31Å; V798-T800 PolarHBondContact O-N 3.45Å; T800-M803 HydrophobicContact CG2-CE 4.06Å; T800-M803 PolarHBondContact O-N 2.92Å; T800-Q804 WeakPolarHBondContact O-CB 3.45Å; T800-Q804 VanDerWaalsContact O-CG 3.26Å; T800-Q804 WeakPolarHBondContact O-CG 3.39Å; T800-Q804 PolarHBondContact O-N 3.11Å |
| 801 | L | 80.4 | Confident | 79.5 | Confident | 108 Ų | 108 | 85.2 Ų | 85.2 | 57% | 0.565 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -72.7 | -34.6 | 169.4 | -68.8 | 169.7 | 0 | 0 | 0 | 112.9 | E797 V798 K805 | E797-L801 WeakPolarHBondContact O-CB 3.43Å; E797-L801 VanDerWaalsContact O-CG 3.3Å; E797-L801 WeakPolarHBondContact O-CG 3.38Å; E797-L801 PolarHBondContact O-N 3.32Å; V798-L801 CarbonylContact O-C 3.57Å; V798-L801 PolarHBondContact O-N 2.92Å; L801-K805 WeakPolarHBondContact O-CB 3.05Å; L801-K805 PolarHBondContact O-N 3.28Å |
| 802 | E | 78.7 | Confident | 79.7 | Confident | 99 Ų | 99 | 85.2 Ų | 85.2 | 46% | 0.463 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 169.6 | -75.7 | 178.8 | 168.4 | 0 | 0 | 110.8 | R95 V798 K799 K805 A806 | R95-E802 IonicContact NH2-OE2 2.66Å; R95-E802 PolarHBondContact NH2-OE2 3.35Å; V798-E802 HydrophobicContact CG1-CG 4.36Å; V798-E802 WeakPolarHBondContact O-CB 3.38Å; V798-E802 WeakPolarHBondContact O-CG 3.4Å; V798-E802 PolarHBondContact O-N 3.37Å; K799-E802 PolarHBondContact O-N 3.06Å; E802-K805 PolarHBondContact O-N 2.76Å; E802-A806 PolarHBondContact O-N 3.24Å |
| 803 | M | 77.7 | Confident | 79.9 | Confident | 51 Ų | 51 | 86.1 Ų | 86.1 | 25% | 0.251 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.3 | -55.3 | 176.2 | -163.1 | -168.5 | -46.1 | 0 | 0 | 111 | I102 K799 T800 K805 A806 E807 | I102-M803 HydrophobicContact CD1-CE 3.36Å; I102-M803 HydrophobicContact CD1-CG 4.34Å; I102-M803 HydrophobicContact CD1-SD 3.57Å; I102-M803 VanDerWaalsContact CD1-SD 3.57Å; I102-M803 HydrophobicContact CG1-CE 4.15Å; I102-M803 HydrophobicContact CG1-SD 3.88Å; I102-M803 HydrophobicContact CG2-CG 4.3Å; I102-M803 HydrophobicContact CG2-SD 3.84Å; K799-M803 VanDerWaalsContact O-CB 3.31Å; K799-M803 WeakPolarHBondContact O-CB 3.45Å; K799-M803 PolarHBondContact O-N 3.42Å; T800-M803 HydrophobicContact CG2-CE 4.06Å; T800-M803 PolarHBondContact O-N 2.92Å; M803-K805 PolarHBondContact O-N 3.41Å; M803-A806 CarbonylContact O-C 3.59Å; M803-A806 WeakPolarHBondContact O-CA 3.41Å; M803-A806 WeakPolarHBondContact O-CB 3.22Å; M803-A806 PolarHBondContact O-N 2.94Å; M803-E807 VanDerWaalsContact C-OE1 3.23Å; M803-E807 WeakPolarHBondContact CG-OE1 3.44Å; M803-E807 WeakPolarHBondContact O-CG 3.45Å; M803-E807 PolarHBondContact O-N 2.78Å |
| 804 | Q | 77.6 | Confident | 80.2 | Confident | 75 Ų | 75 | 87.5 Ų | 87.5 | 35% | 0.35 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.2 | -30.7 | 177.9 | -71.8 | -171.6 | -48.4 | 0 | 0 | 112.8 | T800 E807 L808 | T800-Q804 WeakPolarHBondContact O-CB 3.45Å; T800-Q804 VanDerWaalsContact O-CG 3.26Å; T800-Q804 WeakPolarHBondContact O-CG 3.39Å; T800-Q804 PolarHBondContact O-N 3.11Å; Q804-E807 WeakPolarHBondContact CA-OE1 3.47Å; Q804-E807 PolarHBondContact N-OE1 2.9Å; Q804-L808 VanDerWaalsContact O-CB 3.3Å; Q804-L808 WeakPolarHBondContact O-CB 3.29Å; Q804-L808 WeakPolarHBondContact O-CD1 3.45Å; Q804-L808 VanDerWaalsContact O-CG 3.22Å; Q804-L808 WeakPolarHBondContact O-CG 3.4Å; Q804-L808 PolarHBondContact O-N 2.8Å |
| 805 | K | 84.7 | Confident | 80.5 | Confident | 135 Ų | 135 | 90.9 Ų | 90.9 | 59% | 0.587 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -69.4 | -39.2 | 171.5 | -177 | -180 | 177.2 | -175.3 | 0 | 112 | L801 E802 M803 Q809 | L801-K805 WeakPolarHBondContact O-CB 3.05Å; L801-K805 PolarHBondContact O-N 3.28Å; E802-K805 PolarHBondContact O-N 2.76Å; M803-K805 PolarHBondContact O-N 3.41Å; K805-Q809 WeakPolarHBondContact O-CB 3.49Å; K805-Q809 VanDerWaalsContact O-CG 3.3Å; K805-Q809 WeakPolarHBondContact O-CG 3.46Å; K805-Q809 PolarHBondContact O-N 2.84Å |
| 806 | A | 80.9 | Confident | 80.8 | Confident | 54 Ų | 54 | 90.4 Ų | 90.4 | 45% | 0.446 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68.3 | -42.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E802 M803 Q809 L810 | E802-A806 PolarHBondContact O-N 3.24Å; M803-A806 CarbonylContact O-C 3.59Å; M803-A806 WeakPolarHBondContact O-CA 3.41Å; M803-A806 WeakPolarHBondContact O-CB 3.22Å; M803-A806 PolarHBondContact O-N 2.94Å; A806-Q809 PolarHBondContact O-N 2.88Å; A806-L810 WeakPolarHBondContact O-CB 3.36Å; A806-L810 PolarHBondContact O-N 3.46Å |
| 807 | E | 80.1 | Confident | 80.8 | Confident | 64 Ų | 64 | 89.9 Ų | 89.9 | 30% | 0.299 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -54.8 | -50.8 | 171.1 | -68 | 159.4 | -126.9 | 0 | 0 | 111 | M803 Q804 Q809 L810 L811 | M803-E807 VanDerWaalsContact C-OE1 3.23Å; M803-E807 WeakPolarHBondContact CG-OE1 3.44Å; M803-E807 WeakPolarHBondContact O-CG 3.45Å; M803-E807 PolarHBondContact O-N 2.78Å; Q804-E807 WeakPolarHBondContact CA-OE1 3.47Å; Q804-E807 PolarHBondContact N-OE1 2.9Å; E807-Q809 VanDerWaalsContact C-N 3.34Å; E807-Q809 PolarHBondContact O-N 3.05Å; E807-L810 PolarHBondContact O-N 2.94Å; E807-L810 VanDerWaalsContact O-N 3.16Å; E807-L811 PolarHBondContact O-N 3.16Å |
| 808 | L | 81.2 | Confident | 80.9 | Confident | 124 Ų | 124 | 90 Ų | 90 | 65% | 0.649 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.3 | -35.2 | 177.9 | -76.8 | 168.9 | 0 | 0 | 0 | 112.9 | Q804 S812 | Q804-L808 VanDerWaalsContact O-CB 3.3Å; Q804-L808 WeakPolarHBondContact O-CB 3.29Å; Q804-L808 WeakPolarHBondContact O-CD1 3.45Å; Q804-L808 VanDerWaalsContact O-CG 3.22Å; Q804-L808 WeakPolarHBondContact O-CG 3.4Å; Q804-L808 PolarHBondContact O-N 2.8Å; L808-S812 WeakPolarHBondContact O-CB 3.5Å; L808-S812 PolarHBondContact O-N 3.4Å |
| 809 | Q | 81.8 | Confident | 80.8 | Confident | 121 Ų | 121 | 89.3 Ų | 89.3 | 57% | 0.565 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -68.5 | -37.8 | 173 | -77 | -179.1 | -38 | 0 | 0 | 111.7 | K805 A806 E807 S812 T813 | K805-Q809 WeakPolarHBondContact O-CB 3.49Å; K805-Q809 VanDerWaalsContact O-CG 3.3Å; K805-Q809 WeakPolarHBondContact O-CG 3.46Å; K805-Q809 PolarHBondContact O-N 2.84Å; A806-Q809 PolarHBondContact O-N 2.88Å; E807-Q809 VanDerWaalsContact C-N 3.34Å; E807-Q809 PolarHBondContact O-N 3.05Å; Q809-S812 PolarHBondContact O-N 3.38Å; Q809-T813 PolarHBondContact O-N 3.48Å; Q809-T813 PolarHBondContact O-OG1 2.83Å |
| 810 | L | 81.1 | Confident | 80.8 | Confident | 123 Ų | 123 | 92 Ų | 92 | 64% | 0.644 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -69.1 | -42 | 176 | -161.9 | 80.5 | 0 | 0 | 0 | 112.1 | A806 E807 S812 T813 R814 | A806-L810 WeakPolarHBondContact O-CB 3.36Å; A806-L810 PolarHBondContact O-N 3.46Å; E807-L810 PolarHBondContact O-N 2.94Å; E807-L810 VanDerWaalsContact O-N 3.16Å; L810-S812 VanDerWaalsContact C-N 3.32Å; L810-T813 PolarHBondContact O-N 2.82Å; L810-T813 PolarHBondContact O-OG1 3.16Å; L810-T813 VanDerWaalsContact O-OG1 3.04Å; L810-R814 VanDerWaalsContact O-CB 3.27Å; L810-R814 WeakPolarHBondContact O-CB 3.46Å; L810-R814 PolarHBondContact O-N 3.36Å |
| 811 | L | 81 | Confident | 80.9 | Confident | 82 Ų | 82 | 92.3 Ų | 92.3 | 43% | 0.429 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.5 | -40.4 | 170.4 | -100.3 | 76.9 | 0 | 0 | 0 | 111.1 | E807 T813 R814 F815 | E807-L811 PolarHBondContact O-N 3.16Å; L811-T813 PolarHBondContact O-N 3.38Å; L811-R814 PolarHBondContact O-N 2.85Å; L811-F815 HydrophobicContact CB-CE2 4.4Å; L811-F815 HydrophobicContact CD2-CE2 4.04Å; L811-F815 HydrophobicContact CD2-CZ 4.27Å; L811-F815 HydrophobicContact CG-CE2 4.42Å; L811-F815 WeakPolarHBondContact O-CB 3.46Å; L811-F815 WeakPolarHBondContact O-CD2 3.35Å; L811-F815 WeakPolarHBondContact O-CG 3.27Å; L811-F815 PolarHBondContact O-N 2.74Å |
| 812 | S | 82.7 | Confident | 80.9 | Confident | 80 Ų | 80 | 92.5 Ų | 92.5 | 56% | 0.559 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.7 | -34.4 | 178.8 | -174.4 | 0 | 0 | 0 | 0 | 112.9 | L808 Q809 L810 K816 | L808-S812 WeakPolarHBondContact O-CB 3.5Å; L808-S812 PolarHBondContact O-N 3.4Å; Q809-S812 PolarHBondContact O-N 3.38Å; L810-S812 VanDerWaalsContact C-N 3.32Å; S812-K816 WeakPolarHBondContact O-CB 3.35Å; S812-K816 PolarHBondContact O-N 2.93Å |
| 813 | T | 80.1 | Confident | 81.1 | Confident | 90 Ų | 90 | 91.4 Ų | 91.4 | 55% | 0.552 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -76.8 | -39 | 173.3 | 53.3 | 0 | 0 | 0 | 0 | 111.5 | Q809 L810 L811 K816 S817 | Q809-T813 PolarHBondContact O-N 3.48Å; Q809-T813 PolarHBondContact O-OG1 2.83Å; L810-T813 PolarHBondContact O-N 2.82Å; L810-T813 PolarHBondContact O-OG1 3.16Å; L810-T813 VanDerWaalsContact O-OG1 3.04Å; L811-T813 PolarHBondContact O-N 3.38Å; T813-K816 PolarHBondContact O-N 3.45Å; T813-S817 PolarHBondContact O-N 2.89Å; T813-S817 PolarHBondContact O-OG 3.38Å |
| 814 | R | 83.3 | Confident | 81.2 | Confident | 122 Ų | 122 | 93.8 Ų | 93.8 | 46% | 0.46 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.3 | -56.3 | 174.1 | -178.2 | 173.4 | 179.5 | 166.7 | -0.7 | 111.6 | E110 L810 L811 K816 S817 E818 | E110-R814 IonicContact OE1-CZ 2.65Å; E110-R814 IonicContact OE1-NH1 3.68Å; E110-R814 PolarHBondContact OE1-NH1 2.88Å; E110-R814 IonicContact OE1-NH2 3.04Å; L810-R814 VanDerWaalsContact O-CB 3.27Å; L810-R814 WeakPolarHBondContact O-CB 3.46Å; L810-R814 PolarHBondContact O-N 3.36Å; L811-R814 PolarHBondContact O-N 2.85Å; R814-K816 PolarHBondContact O-N 3.44Å; R814-S817 CarbonylContact O-C 3.59Å; R814-S817 PolarHBondContact O-N 3.47Å; R814-S817 PolarHBondContact O-OG 3.35Å; R814-E818 HydrophobicContact CG-CG 4.39Å; R814-E818 VanDerWaalsContact CG-OE1 3.26Å; R814-E818 WeakPolarHBondContact CG-OE1 3.45Å; R814-E818 IonicContact CZ-OE1 3.53Å; R814-E818 IonicContact NE-OE1 3.65Å; R814-E818 PolarHBondContact NE-OE1 2.9Å; R814-E818 WeakPolarHBondContact O-CG 3.43Å; R814-E818 PolarHBondContact O-N 3.23Å |
| 815 | F | 83.1 | Confident | 81.2 | Confident | 126 Ų | 126 | 94.1 Ų | 94.1 | 55% | 0.553 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.5 | -31.9 | 176.7 | -71.7 | -35.5 | 0 | 0 | 0 | 112.9 | L811 A819 | L811-F815 HydrophobicContact CB-CE2 4.4Å; L811-F815 HydrophobicContact CD2-CE2 4.04Å; L811-F815 HydrophobicContact CD2-CZ 4.27Å; L811-F815 HydrophobicContact CG-CE2 4.42Å; L811-F815 WeakPolarHBondContact O-CB 3.46Å; L811-F815 WeakPolarHBondContact O-CD2 3.35Å; L811-F815 WeakPolarHBondContact O-CG 3.27Å; L811-F815 PolarHBondContact O-N 2.74Å; F815-A819 VanDerWaalsContact O-CB 3.24Å; F815-A819 WeakPolarHBondContact O-CB 3.44Å; F815-A819 PolarHBondContact O-N 2.85Å |
| 816 | K | 86.1 | Confident | 81.2 | Confident | 137 Ų | 137 | 93.5 Ų | 93.5 | 60% | 0.596 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.5 | -46.7 | 172.4 | -171.4 | 172.2 | -178.9 | -178.5 | 0 | 111.4 | S812 T813 R814 E818 A819 D820 | S812-K816 WeakPolarHBondContact O-CB 3.35Å; S812-K816 PolarHBondContact O-N 2.93Å; T813-K816 PolarHBondContact O-N 3.45Å; R814-K816 PolarHBondContact O-N 3.44Å; K816-E818 VanDerWaalsContact C-N 3.33Å; K816-E818 PolarHBondContact O-N 3.3Å; K816-A819 PolarHBondContact O-N 3.04Å; K816-D820 WeakPolarHBondContact O-CB 3.48Å; K816-D820 VanDerWaalsContact O-CG 3.27Å; K816-D820 PolarHBondContact O-N 3.27Å |
| 817 | S | 77.8 | Confident | 81.2 | Confident | 68 Ų | 68 | 93.4 Ų | 93.4 | 48% | 0.476 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.8 | -34 | 176.2 | 67.9 | 0 | 0 | 0 | 0 | 113.3 | T813 R814 A821 | T813-S817 PolarHBondContact O-N 2.89Å; T813-S817 PolarHBondContact O-OG 3.38Å; R814-S817 CarbonylContact O-C 3.59Å; R814-S817 PolarHBondContact O-N 3.47Å; R814-S817 PolarHBondContact O-OG 3.35Å; S817-A821 WeakPolarHBondContact O-CB 3.43Å; S817-A821 PolarHBondContact O-N 3.42Å |
| 818 | E | 79.5 | Confident | 81.3 | Confident | 76 Ų | 76 | 95.6 Ų | 95.6 | 36% | 0.355 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70.2 | -38.9 | 173.3 | -72 | 172.2 | -175.4 | 0 | 0 | 111.1 | R814 K816 A821 L822 | R814-E818 HydrophobicContact CG-CG 4.39Å; R814-E818 VanDerWaalsContact CG-OE1 3.26Å; R814-E818 WeakPolarHBondContact CG-OE1 3.45Å; R814-E818 IonicContact CZ-OE1 3.53Å; R814-E818 IonicContact NE-OE1 3.65Å; R814-E818 PolarHBondContact NE-OE1 2.9Å; R814-E818 WeakPolarHBondContact O-CG 3.43Å; R814-E818 PolarHBondContact O-N 3.23Å; K816-E818 VanDerWaalsContact C-N 3.33Å; K816-E818 PolarHBondContact O-N 3.3Å; E818-A821 PolarHBondContact O-N 3.25Å; E818-L822 VanDerWaalsContact O-CB 3.29Å; E818-L822 WeakPolarHBondContact O-CB 3.23Å; E818-L822 WeakPolarHBondContact O-CD1 3.17Å; E818-L822 WeakPolarHBondContact O-CG 3.32Å; E818-L822 PolarHBondContact O-N 2.96Å |
| 819 | A | 79.2 | Confident | 81.1 | Confident | 55 Ų | 55 | 94.7 Ų | 94.7 | 46% | 0.455 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.8 | -41.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F815 K816 L822 S823 | F815-A819 VanDerWaalsContact O-CB 3.24Å; F815-A819 WeakPolarHBondContact O-CB 3.44Å; F815-A819 PolarHBondContact O-N 2.85Å; K816-A819 PolarHBondContact O-N 3.04Å; A819-L822 PolarHBondContact O-N 3.34Å; A819-S823 WeakPolarHBondContact O-CB 3.13Å; A819-S823 PolarHBondContact O-N 3.06Å |
| 820 | D | 82.9 | Confident | 81.1 | Confident | 91 Ų | 91 | 93.8 Ų | 93.8 | 49% | 0.487 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.4 | -41.9 | 175.3 | -68.8 | -30.1 | 0 | 0 | 0 | 110.5 | K816 S823 V824 | K816-D820 WeakPolarHBondContact O-CB 3.48Å; K816-D820 VanDerWaalsContact O-CG 3.27Å; K816-D820 PolarHBondContact O-N 3.27Å; D820-S823 WeakPolarHBondContact O-CB 3.22Å; D820-S823 PolarHBondContact O-N 3.21Å; D820-V824 WeakPolarHBondContact O-CG2 3.25Å; D820-V824 PolarHBondContact O-N 3.41Å |
| 821 | A | 78.7 | Confident | 81.1 | Confident | 57 Ų | 57 | 92.8 Ų | 92.8 | 47% | 0.471 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S817 E818 S823 V824 E825 | S817-A821 WeakPolarHBondContact O-CB 3.43Å; S817-A821 PolarHBondContact O-N 3.42Å; E818-A821 PolarHBondContact O-N 3.25Å; A821-S823 VanDerWaalsContact C-N 3.27Å; A821-S823 PolarHBondContact O-N 3.18Å; A821-V824 PolarHBondContact O-N 2.85Å; A821-E825 PolarHBondContact O-N 2.84Å |
| 822 | L | 80.7 | Confident | 80.9 | Confident | 112 Ų | 112 | 93.2 Ų | 93.2 | 59% | 0.586 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65 | -30.6 | 173.7 | -75.5 | 167.6 | 0 | 0 | 0 | 112.2 | E818 A819 K826 | E818-L822 VanDerWaalsContact O-CB 3.29Å; E818-L822 WeakPolarHBondContact O-CB 3.23Å; E818-L822 WeakPolarHBondContact O-CD1 3.17Å; E818-L822 WeakPolarHBondContact O-CG 3.32Å; E818-L822 PolarHBondContact O-N 2.96Å; A819-L822 PolarHBondContact O-N 3.34Å; L822-K826 WeakPolarHBondContact O-CB 3.34Å; L822-K826 PolarHBondContact O-N 2.89Å |
| 823 | S | 82.4 | Confident | 80.9 | Confident | 77 Ų | 77 | 94.6 Ų | 94.6 | 54% | 0.538 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67 | -44 | 172.7 | -166.3 | 0 | 0 | 0 | 0 | 111.4 | A819 D820 A821 K826 A827 | A819-S823 WeakPolarHBondContact O-CB 3.13Å; A819-S823 PolarHBondContact O-N 3.06Å; D820-S823 WeakPolarHBondContact O-CB 3.22Å; D820-S823 PolarHBondContact O-N 3.21Å; A821-S823 VanDerWaalsContact C-N 3.27Å; A821-S823 PolarHBondContact O-N 3.18Å; S823-K826 PolarHBondContact O-N 2.91Å; S823-A827 PolarHBondContact O-N 3.2Å |
| 824 | V | 81.4 | Confident | 80.8 | Confident | 100 Ų | 100 | 94.1 Ų | 94.1 | 61% | 0.606 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.7 | -44.3 | 173.9 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | D820 A821 K826 A827 Q828 | D820-V824 WeakPolarHBondContact O-CG2 3.25Å; D820-V824 PolarHBondContact O-N 3.41Å; A821-V824 PolarHBondContact O-N 2.85Å; V824-K826 VanDerWaalsContact C-N 3.34Å; V824-K826 PolarHBondContact O-N 2.85Å; V824-A827 PolarHBondContact O-N 2.84Å; V824-Q828 PolarHBondContact O-N 3.4Å |
| 825 | E | 76.1 | Confident | 80.8 | Confident | 82 Ų | 82 | 93.1 Ų | 93.1 | 38% | 0.383 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 176.4 | -158.2 | -157.2 | 153 | 0 | 0 | 110.8 | A821 A827 Q828 R829 | A821-E825 PolarHBondContact O-N 2.84Å; E825-A827 PolarHBondContact O-N 3.12Å; E825-Q828 PolarHBondContact O-N 2.85Å; E825-R829 HydrophobicContact CG-CG 4.39Å; E825-R829 WeakPolarHBondContact O-CB 3.21Å; E825-R829 WeakPolarHBondContact O-CG 3.07Å; E825-R829 PolarHBondContact O-N 3.25Å; E825-R829 IonicContact OE1-CZ 3.46Å; E825-R829 IonicContact OE1-NE 2.76Å; E825-R829 PolarHBondContact OE1-NE 3.38Å; E825-R829 IonicContact OE1-NH2 3.6Å; E825-R829 PolarHBondContact OE1-NH2 3.23Å |
| 826 | K | 84.7 | Confident | 80.6 | Confident | 123 Ų | 123 | 92.1 Ų | 92.1 | 54% | 0.535 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.3 | -45.6 | 174.3 | 179.9 | 176.5 | -179.2 | -73.6 | 0 | 111.8 | L822 S823 V824 Q828 R829 E830 | L822-K826 WeakPolarHBondContact O-CB 3.34Å; L822-K826 PolarHBondContact O-N 2.89Å; S823-K826 PolarHBondContact O-N 2.91Å; V824-K826 VanDerWaalsContact C-N 3.34Å; V824-K826 PolarHBondContact O-N 2.85Å; K826-Q828 VanDerWaalsContact C-N 3.34Å; K826-Q828 PolarHBondContact O-N 2.9Å; K826-R829 PolarHBondContact O-N 2.91Å; K826-E830 WeakPolarHBondContact CE-OE1 3.26Å; K826-E830 IonicContact NZ-OE1 2.71Å; K826-E830 PolarHBondContact NZ-OE1 3.23Å; K826-E830 IonicContact NZ-OE2 3.51Å; K826-E830 WeakPolarHBondContact O-CG 3.32Å; K826-E830 PolarHBondContact O-N 3.11Å |
| 827 | A | 81 | Confident | 80.4 | Confident | 51 Ų | 51 | 90.2 Ų | 90.2 | 42% | 0.421 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.1 | -41 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S823 V824 E825 E830 V831 | S823-A827 PolarHBondContact O-N 3.2Å; V824-A827 PolarHBondContact O-N 2.84Å; E825-A827 PolarHBondContact O-N 3.12Å; A827-E830 PolarHBondContact O-N 3.46Å; A827-V831 WeakPolarHBondContact O-CG2 3.2Å; A827-V831 PolarHBondContact O-N 2.88Å; A827-V831 VanDerWaalsContact O-N 3.07Å |
| 828 | Q | 81.7 | Confident | 80.5 | Confident | 110 Ų | 110 | 90.8 Ų | 90.8 | 51% | 0.514 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.1 | -42.8 | 174.8 | -176.5 | 173.1 | -28.1 | 0 | 0 | 112 | V824 E825 K826 E830 V831 E832 | V824-Q828 PolarHBondContact O-N 3.4Å; E825-Q828 PolarHBondContact O-N 2.85Å; K826-Q828 VanDerWaalsContact C-N 3.34Å; K826-Q828 PolarHBondContact O-N 2.9Å; Q828-E830 VanDerWaalsContact C-N 3.29Å; Q828-E830 PolarHBondContact O-N 2.99Å; Q828-V831 PolarHBondContact O-N 3.41Å; Q828-E832 HydrophobicContact CG-CG 4.45Å; Q828-E832 PolarHBondContact NE2-OE1 3.2Å; Q828-E832 WeakPolarHBondContact O-CG 3.41Å; Q828-E832 PolarHBondContact O-N 3.08Å |
| 829 | R | 78.4 | Confident | 80.5 | Confident | 106 Ų | 106 | 92 Ų | 92 | 40% | 0.4 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.2 | -36 | 174.8 | -65.2 | -82.8 | -166.6 | 127.5 | 3.5 | 111.7 | T126 E825 K826 N833 | T126-R829 PolarHBondContact OG1-NH1 3.09Å; E825-R829 HydrophobicContact CG-CG 4.39Å; E825-R829 WeakPolarHBondContact O-CB 3.21Å; E825-R829 WeakPolarHBondContact O-CG 3.07Å; E825-R829 PolarHBondContact O-N 3.25Å; E825-R829 IonicContact OE1-CZ 3.46Å; E825-R829 IonicContact OE1-NE 2.76Å; E825-R829 PolarHBondContact OE1-NE 3.38Å; E825-R829 IonicContact OE1-NH2 3.6Å; E825-R829 PolarHBondContact OE1-NH2 3.23Å; K826-R829 PolarHBondContact O-N 2.91Å; R829-N833 WeakPolarHBondContact O-CB 3.32Å; R829-N833 PolarHBondContact O-N 3.1Å |
| 830 | E | 81.6 | Confident | 80.5 | Confident | 102 Ų | 102 | 93.9 Ų | 93.9 | 48% | 0.477 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.8 | -37.1 | 175.1 | -75.5 | 172 | -177.5 | 0 | 0 | 112.2 | K826 A827 Q828 S834 | K826-E830 WeakPolarHBondContact CE-OE1 3.26Å; K826-E830 IonicContact NZ-OE1 2.71Å; K826-E830 PolarHBondContact NZ-OE1 3.23Å; K826-E830 IonicContact NZ-OE2 3.51Å; K826-E830 WeakPolarHBondContact O-CG 3.32Å; K826-E830 PolarHBondContact O-N 3.11Å; A827-E830 PolarHBondContact O-N 3.46Å; Q828-E830 VanDerWaalsContact C-N 3.29Å; Q828-E830 PolarHBondContact O-N 2.99Å; E830-S834 WeakPolarHBondContact O-CB 3.46Å; E830-S834 PolarHBondContact O-N 3.48Å; E830-S834 PolarHBondContact O-OG 3.25Å |
| 831 | V | 80.4 | Confident | 80.5 | Confident | 102 Ų | 102 | 92.9 Ų | 92.9 | 62% | 0.618 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68 | -45.5 | 171.7 | 172.4 | 0 | 0 | 0 | 0 | 111.7 | A827 Q828 S834 H835 | A827-V831 WeakPolarHBondContact O-CG2 3.2Å; A827-V831 PolarHBondContact O-N 2.88Å; A827-V831 VanDerWaalsContact O-N 3.07Å; Q828-V831 PolarHBondContact O-N 3.41Å; V831-S834 WeakPolarHBondContact O-CB 3.35Å; V831-S834 PolarHBondContact O-N 2.84Å; V831-H835 PolarHBondContact O-N 3.17Å |
| 832 | E | 76.9 | Confident | 80.6 | Confident | 91 Ų | 91 | 95.8 Ų | 95.8 | 43% | 0.425 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 176.8 | -75.2 | 176.6 | -166.1 | 0 | 0 | 111.8 | Q828 S834 H835 L836 | Q828-E832 HydrophobicContact CG-CG 4.45Å; Q828-E832 PolarHBondContact NE2-OE1 3.2Å; Q828-E832 WeakPolarHBondContact O-CG 3.41Å; Q828-E832 PolarHBondContact O-N 3.08Å; E832-S834 VanDerWaalsContact C-N 3.34Å; E832-S834 PolarHBondContact O-N 2.71Å; E832-H835 PolarHBondContact O-N 3.4Å; E832-L836 WeakPolarHBondContact O-CB 3.3Å; E832-L836 WeakPolarHBondContact O-CG 3.33Å; E832-L836 PolarHBondContact O-N 2.86Å |
| 833 | N | 82.2 | Confident | 80.5 | Confident | 108 Ų | 108 | 95.9 Ų | 95.9 | 58% | 0.578 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.9 | -37.8 | 174.6 | -167.1 | 17.7 | 0 | 0 | 0 | 111.5 | R829 H835 L836 N837 | R829-N833 WeakPolarHBondContact O-CB 3.32Å; R829-N833 PolarHBondContact O-N 3.1Å; N833-H835 VanDerWaalsContact C-N 3.35Å; N833-H835 PolarHBondContact O-N 2.71Å; N833-L836 PolarHBondContact O-N 3.47Å; N833-N837 VanDerWaalsContact O-CB 3.27Å; N833-N837 WeakPolarHBondContact O-CB 3.42Å; N833-N837 PolarHBondContact O-N 2.87Å |
| 834 | S | 79.3 | Confident | 80.3 | Confident | 80 Ų | 80 | 96.3 Ų | 96.3 | 56% | 0.559 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.5 | -39.5 | 173 | -60 | 0 | 0 | 0 | 0 | 112.2 | E830 V831 E832 S838 | E830-S834 WeakPolarHBondContact O-CB 3.46Å; E830-S834 PolarHBondContact O-N 3.48Å; E830-S834 PolarHBondContact O-OG 3.25Å; V831-S834 WeakPolarHBondContact O-CB 3.35Å; V831-S834 PolarHBondContact O-N 2.84Å; E832-S834 VanDerWaalsContact C-N 3.34Å; E832-S834 PolarHBondContact O-N 2.71Å; S834-S838 WeakPolarHBondContact O-CB 3.4Å; S834-S838 PolarHBondContact O-N 3.21Å |
| 835 | H | 82.6 | Confident | 80.2 | Confident | 102 Ų | 102 | 100 Ų | 100 | 47% | 0.472 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.5 | -41.1 | 174.7 | -179.3 | 65.4 | 0 | 0 | 0 | 112.5 | V831 E832 N833 S838 K839 | V831-H835 PolarHBondContact O-N 3.17Å; E832-H835 PolarHBondContact O-N 3.4Å; N833-H835 VanDerWaalsContact C-N 3.35Å; N833-H835 PolarHBondContact O-N 2.71Å; H835-S838 PolarHBondContact O-N 3.22Å; H835-K839 WeakPolarHBondContact NE2-CE 3.41Å; H835-K839 PolarHBondContact NE2-NZ 2.98Å; H835-K839 PolarHBondContact O-N 2.9Å |
| 836 | L | 79 | Confident | 80.3 | Confident | 104 Ų | 104 | 101 Ų | 101 | 55% | 0.545 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.6 | -41.8 | 174.9 | -74.4 | 169.5 | 0 | 0 | 0 | 111.9 | E832 N833 S838 K839 L840 | E832-L836 WeakPolarHBondContact O-CB 3.3Å; E832-L836 WeakPolarHBondContact O-CG 3.33Å; E832-L836 PolarHBondContact O-N 2.86Å; N833-L836 PolarHBondContact O-N 3.47Å; L836-S838 VanDerWaalsContact C-N 3.34Å; L836-S838 PolarHBondContact O-N 3.45Å; L836-K839 CarbonylContact O-C 3.55Å; L836-K839 WeakPolarHBondContact O-CB 3.37Å; L836-K839 PolarHBondContact O-N 3.37Å; L836-L840 WeakPolarHBondContact O-CB 3.26Å; L836-L840 PolarHBondContact O-N 3.12Å |
| 837 | N | 81.3 | Confident | 80 | Confident | 97 Ų | 97 | 99.8 Ų | 99.8 | 52% | 0.519 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.8 | -38 | 175.7 | -168.1 | 44.3 | 0 | 0 | 0 | 111.7 | N833 L840 V841 | N833-N837 VanDerWaalsContact O-CB 3.27Å; N833-N837 WeakPolarHBondContact O-CB 3.42Å; N833-N837 PolarHBondContact O-N 2.87Å; N837-L840 PolarHBondContact O-N 3.39Å; N837-V841 WeakPolarHBondContact O-CG2 3.24Å; N837-V841 PolarHBondContact O-N 2.9Å |
| 838 | S | 79.6 | Confident | 79.9 | Confident | 81 Ų | 81 | 100.3 Ų | 100.3 | 57% | 0.566 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.4 | -43 | 172 | -171.3 | 0 | 0 | 0 | 0 | 112.2 | S834 H835 L836 L840 Q842 | S834-S838 WeakPolarHBondContact O-CB 3.4Å; S834-S838 PolarHBondContact O-N 3.21Å; H835-S838 PolarHBondContact O-N 3.22Å; L836-S838 VanDerWaalsContact C-N 3.34Å; L836-S838 PolarHBondContact O-N 3.45Å; S838-L840 VanDerWaalsContact C-N 3.35Å; S838-Q842 PolarHBondContact O-N 2.78Å |
| 839 | K | 80.6 | Confident | 79.7 | Confident | 101 Ų | 101 | 99.6 Ų | 99.6 | 44% | 0.439 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.5 | -37.1 | 171.1 | -79.1 | 177.2 | 171.6 | 165 | 0 | 112.8 | H835 L836 Q842 M843 | H835-K839 WeakPolarHBondContact NE2-CE 3.41Å; H835-K839 PolarHBondContact NE2-NZ 2.98Å; H835-K839 PolarHBondContact O-N 2.9Å; L836-K839 CarbonylContact O-C 3.55Å; L836-K839 WeakPolarHBondContact O-CB 3.37Å; L836-K839 PolarHBondContact O-N 3.37Å; K839-Q842 CarbonylContact O-C 3.56Å; K839-Q842 WeakPolarHBondContact O-CB 3.43Å; K839-Q842 PolarHBondContact O-N 3.42Å; K839-M843 WeakPolarHBondContact O-CG 3.42Å; K839-M843 PolarHBondContact O-N 2.88Å |
| 840 | L | 78.9 | Confident | 79.5 | Confident | 95 Ų | 95 | 98.7 Ų | 98.7 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.9 | -43.8 | 179.8 | -164 | 140.8 | 0 | 0 | 0 | 110.6 | L836 N837 S838 Q842 M843 D844 | L836-L840 WeakPolarHBondContact O-CB 3.26Å; L836-L840 PolarHBondContact O-N 3.12Å; N837-L840 PolarHBondContact O-N 3.39Å; S838-L840 VanDerWaalsContact C-N 3.35Å; L840-Q842 VanDerWaalsContact C-N 3.26Å; L840-Q842 PolarHBondContact O-N 2.83Å; L840-M843 CarbonylContact O-C 3.43Å; L840-M843 PolarHBondContact O-N 3.38Å; L840-M843 VanDerWaalsContact O-N 3.08Å; L840-D844 PolarHBondContact O-N 2.8Å |
| 841 | V | 82.8 | Confident | 79.4 | Confident | 69 Ų | 69 | 100 Ų | 100 | 42% | 0.418 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.6 | -32.3 | 170.4 | 172.1 | 0 | 0 | 0 | 0 | 112.5 | N837 R845 | N837-V841 WeakPolarHBondContact O-CG2 3.24Å; N837-V841 PolarHBondContact O-N 2.9Å; V841-R845 PolarHBondContact O-N 3.01Å |
| 842 | Q | 80.4 | Confident | 79.2 | Confident | 118 Ų | 118 | 100.1 Ų | 100.1 | 55% | 0.551 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.6 | -40.7 | 172 | -172.7 | 177.3 | 8.2 | 0 | 0 | 111.9 | S838 K839 L840 R845 Q846 | S838-Q842 PolarHBondContact O-N 2.78Å; K839-Q842 CarbonylContact O-C 3.56Å; K839-Q842 WeakPolarHBondContact O-CB 3.43Å; K839-Q842 PolarHBondContact O-N 3.42Å; L840-Q842 VanDerWaalsContact C-N 3.26Å; L840-Q842 PolarHBondContact O-N 2.83Å; Q842-R845 PolarHBondContact O-N 2.87Å; Q842-Q846 WeakPolarHBondContact O-CG 3.34Å; Q842-Q846 PolarHBondContact O-N 3.24Å; Q842-Q846 VanDerWaalsContact O-N 3.1Å |
| 843 | M | 79.6 | Confident | 79.2 | Confident | 114 Ų | 114 | 101.6 Ų | 101.6 | 56% | 0.562 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -70.6 | -34.5 | 175.7 | -72.4 | -166.5 | 71.1 | 0 | 0 | 112.6 | K839 L840 R845 Q846 L847 | K839-M843 WeakPolarHBondContact O-CG 3.42Å; K839-M843 PolarHBondContact O-N 2.88Å; L840-M843 CarbonylContact O-C 3.43Å; L840-M843 PolarHBondContact O-N 3.38Å; L840-M843 VanDerWaalsContact O-N 3.08Å; M843-R845 VanDerWaalsContact C-N 3.31Å; M843-R845 PolarHBondContact O-N 3.47Å; M843-Q846 CarbonylContact O-C 3.6Å; M843-Q846 PolarHBondContact O-N 2.99Å; M843-L847 WeakPolarHBondContact O-CB 3.43Å; M843-L847 WeakPolarHBondContact O-CG 3.48Å; M843-L847 PolarHBondContact O-N 3.47Å |
| 844 | D | 78.5 | Confident | 78.9 | Confident | 86 Ų | 86 | 101.9 Ų | 101.9 | 46% | 0.46 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.4 | -37.4 | 173.1 | -75.9 | -22.8 | 0 | 0 | 0 | 111.6 | L840 L847 S848 | L840-D844 PolarHBondContact O-N 2.8Å; D844-L847 PolarHBondContact O-N 3.23Å; D844-S848 WeakPolarHBondContact O-CB 3.48Å; D844-S848 PolarHBondContact O-N 3.09Å |
| 845 | R | 78.6 | Confident | 78.8 | Confident | 178 Ų | 178 | 105.2 Ų | 105.2 | 67% | 0.672 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.4 | -46.9 | 169.9 | -79.3 | -179.5 | 170.8 | 148.9 | -0.8 | 111.8 | V841 Q842 M843 L847 S848 D849 | V841-R845 PolarHBondContact O-N 3.01Å; Q842-R845 PolarHBondContact O-N 2.87Å; M843-R845 VanDerWaalsContact C-N 3.31Å; M843-R845 PolarHBondContact O-N 3.47Å; R845-L847 VanDerWaalsContact C-N 3.31Å; R845-L847 PolarHBondContact O-N 2.88Å; R845-S848 PolarHBondContact O-N 2.79Å; R845-D849 PolarHBondContact O-N 3.1Å |
| 846 | Q | 78.4 | Confident | 78.5 | Confident | 103 Ų | 103 | 103.7 Ų | 103.7 | 48% | 0.481 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.7 | -37.7 | 176.5 | -70.6 | -179.9 | -42.1 | 0 | 0 | 112.2 | Q842 M843 D849 I850 | Q842-Q846 WeakPolarHBondContact O-CG 3.34Å; Q842-Q846 PolarHBondContact O-N 3.24Å; Q842-Q846 VanDerWaalsContact O-N 3.1Å; M843-Q846 CarbonylContact O-C 3.6Å; M843-Q846 PolarHBondContact O-N 2.99Å; Q846-D849 PolarHBondContact O-N 3.15Å; Q846-I850 VanDerWaalsContact O-CB 3.27Å; Q846-I850 WeakPolarHBondContact O-CB 3.46Å; Q846-I850 WeakPolarHBondContact O-CD1 3.27Å; Q846-I850 WeakPolarHBondContact O-CG1 3.32Å; Q846-I850 PolarHBondContact O-N 2.75Å |
| 847 | L | 77.7 | Confident | 78.2 | Confident | 97 Ų | 97 | 103.9 Ų | 103.9 | 51% | 0.508 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.3 | -39.3 | 174.3 | -75.6 | 170.7 | 0 | 0 | 0 | 111.5 | M843 D844 R845 I850 Q851 | M843-L847 WeakPolarHBondContact O-CB 3.43Å; M843-L847 WeakPolarHBondContact O-CG 3.48Å; M843-L847 PolarHBondContact O-N 3.47Å; D844-L847 PolarHBondContact O-N 3.23Å; R845-L847 VanDerWaalsContact C-N 3.31Å; R845-L847 PolarHBondContact O-N 2.88Å; L847-I850 CarbonylContact O-C 3.46Å; L847-I850 PolarHBondContact O-N 2.81Å; L847-Q851 WeakPolarHBondContact O-CB 3.15Å; L847-Q851 PolarHBondContact O-N 3.45Å |
| 848 | S | 79 | Confident | 78 | Confident | 62 Ų | 62 | 102.9 Ų | 102.9 | 43% | 0.434 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.8 | -44.3 | 173.1 | -174.1 | 0 | 0 | 0 | 0 | 111.9 | D844 R845 Q851 I852 | D844-S848 WeakPolarHBondContact O-CB 3.48Å; D844-S848 PolarHBondContact O-N 3.09Å; R845-S848 PolarHBondContact O-N 2.79Å; S848-Q851 PolarHBondContact O-N 2.75Å; S848-I852 WeakPolarHBondContact O-CG1 3.38Å; S848-I852 PolarHBondContact O-N 3.48Å |
| 849 | D | 76.7 | Confident | 77.6 | Confident | 95 Ų | 95 | 106 Ų | 106 | 51% | 0.508 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 175.8 | -71.4 | -26.4 | 0 | 0 | 0 | 111.3 | R845 Q846 Q853 | R845-D849 PolarHBondContact O-N 3.1Å; Q846-D849 PolarHBondContact O-N 3.15Å; D849-Q853 VanDerWaalsContact O-CG 3.31Å; D849-Q853 WeakPolarHBondContact O-CG 3.43Å; D849-Q853 PolarHBondContact O-N 3.11Å |
| 850 | I | 75.1 | Confident | 77 | Confident | 88 Ų | 88 | 108.7 Ų | 108.7 | 45% | 0.451 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.2 | -37.2 | 173.7 | -72.9 | 165.9 | 0 | 0 | 0 | 111.1 | Q846 L847 Q853 M854 | Q846-I850 VanDerWaalsContact O-CB 3.27Å; Q846-I850 WeakPolarHBondContact O-CB 3.46Å; Q846-I850 WeakPolarHBondContact O-CD1 3.27Å; Q846-I850 WeakPolarHBondContact O-CG1 3.32Å; Q846-I850 PolarHBondContact O-N 2.75Å; L847-I850 CarbonylContact O-C 3.46Å; L847-I850 PolarHBondContact O-N 2.81Å; I850-Q853 CarbonylContact O-C 3.52Å; I850-Q853 PolarHBondContact O-N 3.3Å; I850-M854 VanDerWaalsContact O-CB 3.28Å; I850-M854 WeakPolarHBondContact O-CB 3.25Å; I850-M854 PolarHBondContact O-N 2.79Å |
| 851 | Q | 79.4 | Confident | 76.2 | Confident | 129 Ų | 129 | 111.7 Ų | 111.7 | 60% | 0.603 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -69.9 | -39 | -179.8 | -174 | 168.3 | -6.4 | 0 | 0 | 111.3 | L847 S848 M854 E855 | L847-Q851 WeakPolarHBondContact O-CB 3.15Å; L847-Q851 PolarHBondContact O-N 3.45Å; S848-Q851 PolarHBondContact O-N 2.75Å; Q851-M854 PolarHBondContact O-N 3.27Å; Q851-E855 WeakPolarHBondContact O-CB 3.37Å; Q851-E855 PolarHBondContact O-N 2.78Å |
| 852 | I | 77.1 | Confident | 75.5 | Confident | 104 Ų | 104 | 111.1 Ų | 111.1 | 53% | 0.533 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 170 | -67.3 | 164.4 | 0 | 0 | 0 | 110.5 | S848 M854 E855 D856 | S848-I852 WeakPolarHBondContact O-CG1 3.38Å; S848-I852 PolarHBondContact O-N 3.48Å; I852-M854 VanDerWaalsContact C-N 3.33Å; I852-M854 PolarHBondContact O-N 2.72Å; I852-E855 PolarHBondContact O-N 2.78Å; I852-D856 PolarHBondContact O-N 3.25Å; I852-D856 VanDerWaalsContact O-N 3.12Å |
| 853 | Q | 76.2 | Confident | 74.5 | Confident | 123 Ų | 123 | 111.4 Ų | 111.4 | 58% | 0.575 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.5 | -36.4 | 174.6 | -70.4 | 173.2 | 35.3 | 0 | 0 | 112.6 | D849 I850 L857 | D849-Q853 VanDerWaalsContact O-CG 3.31Å; D849-Q853 WeakPolarHBondContact O-CG 3.43Å; D849-Q853 PolarHBondContact O-N 3.11Å; I850-Q853 CarbonylContact O-C 3.52Å; I850-Q853 PolarHBondContact O-N 3.3Å; Q853-L857 VanDerWaalsContact O-CB 3.27Å; Q853-L857 WeakPolarHBondContact O-CB 3.32Å; Q853-L857 VanDerWaalsContact O-CG 3.26Å; Q853-L857 WeakPolarHBondContact O-CG 3.49Å; Q853-L857 PolarHBondContact O-N 3.46Å |
| 854 | M | 75.1 | Confident | 73.4 | Confident | 114 Ų | 114 | 108.5 Ų | 108.5 | 56% | 0.562 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -70.8 | -36 | 179.1 | -160.4 | -158.9 | -40.4 | 0 | 0 | 111.5 | I850 Q851 I852 S858 | I850-M854 VanDerWaalsContact O-CB 3.28Å; I850-M854 WeakPolarHBondContact O-CB 3.25Å; I850-M854 PolarHBondContact O-N 2.79Å; Q851-M854 PolarHBondContact O-N 3.27Å; I852-M854 VanDerWaalsContact C-N 3.33Å; I852-M854 PolarHBondContact O-N 2.72Å; M854-S858 WeakPolarHBondContact O-CB 3.23Å; M854-S858 PolarHBondContact O-N 2.73Å |
| 855 | E | 78.4 | Confident | 72.6 | Confident | 149 Ų | 149 | 111.4 Ų | 111.4 | 70% | 0.696 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -70.4 | -39.7 | 176.6 | -166.7 | 162.8 | -134.3 | 0 | 0 | 111.2 | Q851 I852 S858 K859 | Q851-E855 WeakPolarHBondContact O-CB 3.37Å; Q851-E855 PolarHBondContact O-N 2.78Å; I852-E855 PolarHBondContact O-N 2.78Å; E855-S858 PolarHBondContact O-N 2.99Å; E855-K859 PolarHBondContact O-N 3.42Å |
| 856 | D | 75.6 | Confident | 71.5 | Confident | 70 Ų | 70 | 110.9 Ų | 110.9 | 37% | 0.374 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.5 | -39.7 | 172.3 | -164.4 | 72.1 | 0 | 0 | 0 | 112.5 | I852 K859 R860 | I852-D856 PolarHBondContact O-N 3.25Å; I852-D856 VanDerWaalsContact O-N 3.12Å; D856-K859 WeakPolarHBondContact O-CB 3.45Å; D856-K859 PolarHBondContact O-N 2.97Å; D856-R860 WeakPolarHBondContact O-CG 3.26Å; D856-R860 PolarHBondContact O-N 3.46Å; D856-R860 VanDerWaalsContact O-N 3.14Å; D856-R860 IonicContact OD2-CZ 2.67Å; D856-R860 IonicContact OD2-NE 2.6Å; D856-R860 PolarHBondContact OD2-NE 2.91Å; D856-R860 IonicContact OD2-NH2 3.05Å; D856-R860 PolarHBondContact OD2-NH2 3.44Å |
| 857 | L | 73.7 | Confident | 70.4 | Confident | 108 Ų | 108 | 113.5 Ų | 113.5 | 57% | 0.565 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.8 | -37.5 | 171 | -79.3 | 169.9 | 0 | 0 | 0 | 112.4 | Q853 K859 R860 Y861 | Q853-L857 VanDerWaalsContact O-CB 3.27Å; Q853-L857 WeakPolarHBondContact O-CB 3.32Å; Q853-L857 VanDerWaalsContact O-CG 3.26Å; Q853-L857 WeakPolarHBondContact O-CG 3.49Å; Q853-L857 PolarHBondContact O-N 3.46Å; L857-K859 VanDerWaalsContact C-N 3.32Å; L857-R860 PolarHBondContact O-N 3.36Å; L857-Y861 VanDerWaalsContact O-CB 3.29Å; L857-Y861 WeakPolarHBondContact O-CB 3.44Å; L857-Y861 PolarHBondContact O-N 2.86Å |
| 858 | S | 75.4 | Confident | 69.2 | Low | 76 Ų | 76 | 114.1 Ų | 114.1 | 53% | 0.531 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.6 | -37.6 | 177.8 | -173.1 | 0 | 0 | 0 | 0 | 111.1 | M854 E855 Y861 A862 | M854-S858 WeakPolarHBondContact O-CB 3.23Å; M854-S858 PolarHBondContact O-N 2.73Å; E855-S858 PolarHBondContact O-N 2.99Å; S858-Y861 PolarHBondContact O-N 3.42Å; S858-A862 WeakPolarHBondContact O-CB 3.3Å; S858-A862 PolarHBondContact O-N 3.16Å |
| 859 | K | 72.5 | Confident | 68 | Low | 148 Ų | 148 | 119 Ų | 119 | 64% | 0.643 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -56.2 | -56.2 | 168.2 | -118.8 | 172.4 | -178.3 | 169.3 | 0 | 111.8 | E855 D856 L857 Y861 A862 D863 | E855-K859 PolarHBondContact O-N 3.42Å; D856-K859 WeakPolarHBondContact O-CB 3.45Å; D856-K859 PolarHBondContact O-N 2.97Å; L857-K859 VanDerWaalsContact C-N 3.32Å; K859-Y861 PolarHBondContact O-N 3.44Å; K859-A862 WeakPolarHBondContact O-CB 3.43Å; K859-A862 PolarHBondContact O-N 2.99Å; K859-A862 VanDerWaalsContact O-N 3.08Å; K859-D863 PolarHBondContact O-N 2.91Å |
| 860 | R | 66.8 | Low | 67.1 | Low | 156 Ų | 156 | 117.4 Ų | 117.4 | 59% | 0.589 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -60.8 | -32.2 | 178.5 | -61.4 | 171.8 | -162.1 | -146.2 | 7.6 | 112.5 | D856 L857 S864 | D856-R860 WeakPolarHBondContact O-CG 3.26Å; D856-R860 PolarHBondContact O-N 3.46Å; D856-R860 VanDerWaalsContact O-N 3.14Å; D856-R860 IonicContact OD2-CZ 2.67Å; D856-R860 IonicContact OD2-NE 2.6Å; D856-R860 PolarHBondContact OD2-NE 2.91Å; D856-R860 IonicContact OD2-NH2 3.05Å; D856-R860 PolarHBondContact OD2-NH2 3.44Å; L857-R860 PolarHBondContact O-N 3.36Å; R860-S864 WeakPolarHBondContact O-CB 3.48Å; R860-S864 PolarHBondContact O-N 3.46Å |
| 861 | Y | 63.8 | Low | 66.2 | Low | 158 Ų | 158 | 119 Ų | 119 | 62% | 0.62 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -75.7 | -33.2 | 176.4 | -168.6 | -96.7 | 0 | 0 | 0 | 112.3 | L857 S858 K859 S864 K865 | L857-Y861 VanDerWaalsContact O-CB 3.29Å; L857-Y861 WeakPolarHBondContact O-CB 3.44Å; L857-Y861 PolarHBondContact O-N 2.86Å; S858-Y861 PolarHBondContact O-N 3.42Å; K859-Y861 PolarHBondContact O-N 3.44Å; Y861-S864 PolarHBondContact O-N 2.94Å; Y861-K865 HydrophobicContact CE1-CD 4.2Å; Y861-K865 WeakPolarHBondContact O-CB 3.29Å; Y861-K865 PolarHBondContact O-N 2.86Å |
| 862 | A | 66.5 | Low | 65.1 | Low | 58 Ų | 58 | 117.5 Ų | 117.5 | 48% | 0.479 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64.1 | -46.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | S858 K859 S864 K865 Q866 | S858-A862 WeakPolarHBondContact O-CB 3.3Å; S858-A862 PolarHBondContact O-N 3.16Å; K859-A862 WeakPolarHBondContact O-CB 3.43Å; K859-A862 PolarHBondContact O-N 2.99Å; K859-A862 VanDerWaalsContact O-N 3.08Å; A862-S864 VanDerWaalsContact C-N 3.33Å; A862-S864 PolarHBondContact O-N 3.31Å; A862-K865 PolarHBondContact O-N 3.31Å; A862-Q866 PolarHBondContact O-N 3.21Å |
| 863 | D | 60.2 | Low | 64.2 | Low | 123 Ų | 123 | 118.7 Ų | 118.7 | 66% | 0.658 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -58.6 | -43.2 | 175.5 | -63.3 | -32.7 | 0 | 0 | 0 | 111.6 | K859 Q866 | K859-D863 PolarHBondContact O-N 2.91Å; D863-Q866 WeakPolarHBondContact O-CB 3.37Å |
| 864 | S | 57.1 | Low | 63.4 | Low | 53 Ų | 53 | 120.5 Ų | 120.5 | 37% | 0.371 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -76.6 | -28.6 | 178.7 | -174.5 | 0 | 0 | 0 | 0 | 114.2 | R860 Y861 A862 Q866 E867 | R860-S864 WeakPolarHBondContact O-CB 3.48Å; R860-S864 PolarHBondContact O-N 3.46Å; Y861-S864 PolarHBondContact O-N 2.94Å; A862-S864 VanDerWaalsContact C-N 3.33Å; A862-S864 PolarHBondContact O-N 3.31Å; S864-Q866 PolarHBondContact O-N 2.97Å; S864-E867 VanDerWaalsContact O-CB 3.24Å; S864-E867 WeakPolarHBondContact O-CB 3.38Å; S864-E867 PolarHBondContact O-N 2.93Å |
| 865 | K | 60.3 | Low | 62.6 | Low | 148 Ų | 148 | 121.8 Ų | 121.8 | 64% | 0.643 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -68.4 | -21.9 | 178.3 | -171.4 | 172.5 | -177 | 179.7 | 0 | 112.5 | Y861 A862 E867 | Y861-K865 HydrophobicContact CE1-CD 4.2Å; Y861-K865 WeakPolarHBondContact O-CB 3.29Å; Y861-K865 PolarHBondContact O-N 2.86Å; A862-K865 PolarHBondContact O-N 3.31Å; K865-E867 PolarHBondContact O-N 3.05Å |
| 866 | Q | 56.8 | Low | 62 | Low | 167 Ų | 167 | 118.9 Ų | 118.9 | 78% | 0.78 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -19.3 | 170.4 | -158.1 | 75.7 | -1.4 | 0 | 0 | 112.9 | A862 D863 S864 | A862-Q866 PolarHBondContact O-N 3.21Å; D863-Q866 WeakPolarHBondContact O-CB 3.37Å; S864-Q866 PolarHBondContact O-N 2.97Å |
| 867 | E | 55.9 | Low | 61.5 | Low | 157 Ų | 157 | 120 Ų | 120 | 73% | 0.734 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -19.4 | -168.6 | -160.7 | 174.1 | -157.1 | 0 | 0 | 114.2 | S864 K865 | S864-E867 VanDerWaalsContact O-CB 3.24Å; S864-E867 WeakPolarHBondContact O-CB 3.38Å; S864-E867 PolarHBondContact O-N 2.93Å; K865-E867 PolarHBondContact O-N 3.05Å |
| 868 | N | 51.3 | Low | 61 | Low | 110 Ų | 110 | 120.3 Ų | 120.3 | 59% | 0.588 | 64% | 0.636 | S | S | * | * | trans | -121.9 | 52.6 | -152.5 | -130.1 | -45.9 | 0 | 0 | 0 | 115.9 | G870 | N868-G870 PolarHBondContact O-N 3.12Š| ||
| 869 | I | 53.5 | Low | 60.6 | Low | 164 Ų | 164 | 122.4 Ų | 122.4 | 84% | 0.841 | 64% | 0.641 | S | S | * | * | trans | -73 | -3.4 | -174.9 | -70.6 | 172.2 | 0 | 0 | 0 | 114.2 | L871 | I869-L871 PolarHBondContact O-N 3.38Š| ||
| 870 | G | 58.4 | Low | 60.5 | Low | 62 Ų | 62 | 119 Ų | 119 | 64% | 0.639 | 63% | 0.633 | S | S | * | * | trans | -90.5 | 15.9 | -160.8 | 0 | 0 | 0 | 0 | 0 | 120 | N868 | N868-G870 PolarHBondContact O-N 3.12Š| ||
| 871 | L | 55.9 | Low | 60.6 | Low | 122 Ų | 122 | 116.6 Ų | 116.6 | 64% | 0.639 | 63% | 0.631 | S | S | * | * | trans | -93.2 | 6.7 | -170.2 | -81.4 | 172.6 | 0 | 0 | 0 | 117 | I869 D873 K874 | I869-L871 PolarHBondContact O-N 3.38Å; L871-D873 VanDerWaalsContact C-N 3.34Å; L871-D873 PolarHBondContact O-N 2.89Å; L871-K874 HydrophobicContact CD2-CD 4.43Å | ||
| 872 | S | 56 | Low | 60.7 | Low | 97 Ų | 97 | 113.5 Ų | 113.5 | 68% | 0.678 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | -35.5 | -172.2 | -166.9 | 0 | 0 | 0 | 0 | 114.9 | K874 L875 | S872-K874 VanDerWaalsContact C-N 3.31Å; S872-K874 PolarHBondContact O-N 2.85Å; S872-L875 PolarHBondContact O-N 3.47Å |
| 873 | D | 58.4 | Low | 60.8 | Low | 129 Ų | 129 | 115.2 Ų | 115.2 | 69% | 0.69 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -25.5 | -164.3 | -59.7 | -29.2 | 0 | 0 | 0 | 114.1 | L871 L875 S876 | L871-D873 VanDerWaalsContact C-N 3.34Å; L871-D873 PolarHBondContact O-N 2.89Å; D873-L875 PolarHBondContact O-N 3.22Å; D873-S876 WeakPolarHBondContact O-CB 3.38Å; D873-S876 PolarHBondContact O-N 3.49Å; D873-S876 VanDerWaalsContact O-N 3.13Å |
| 874 | K | 60.2 | Low | 61.3 | Low | 162 Ų | 162 | 115.1 Ų | 115.1 | 70% | 0.704 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.6 | -20.5 | -177.2 | -68.4 | -174.7 | 178.7 | 179.6 | 0 | 113.8 | L871 S872 | L871-K874 HydrophobicContact CD2-CD 4.43Å; S872-K874 VanDerWaalsContact C-N 3.31Å; S872-K874 PolarHBondContact O-N 2.85Å |
| 875 | L | 58.6 | Low | 61.9 | Low | 141 Ų | 141 | 119.7 Ų | 119.7 | 74% | 0.738 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -74.3 | -27 | 175.1 | -105.1 | 164.8 | 0 | 0 | 0 | 112.5 | S872 D873 | S872-L875 PolarHBondContact O-N 3.47Å; D873-L875 PolarHBondContact O-N 3.22Å |
| 876 | S | 65.1 | Low | 62.2 | Low | 88 Ų | 88 | 117.6 Ų | 117.6 | 62% | 0.615 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68 | -36.5 | 178.6 | -168 | 0 | 0 | 0 | 0 | 112.1 | D873 L878 | D873-S876 WeakPolarHBondContact O-CB 3.38Å; D873-S876 PolarHBondContact O-N 3.49Å; D873-S876 VanDerWaalsContact O-N 3.13Å; S876-L878 VanDerWaalsContact C-N 3.34Å; S876-L878 PolarHBondContact O-N 2.81Å |
| 877 | T | 65 | Low | 62.8 | Low | 94 Ų | 94 | 117 Ų | 117 | 58% | 0.577 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -70.1 | -27.3 | -176.1 | -30.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 878 | L | 64.3 | Low | 63.1 | Low | 113 Ų | 113 | 113 Ų | 113 | 59% | 0.592 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -74.1 | -32.6 | -177.3 | -165.5 | 71.5 | 0 | 0 | 0 | 112.3 | S876 T880 | S876-L878 VanDerWaalsContact C-N 3.34Å; S876-L878 PolarHBondContact O-N 2.81Å; L878-T880 VanDerWaalsContact C-N 3.34Å; L878-T880 PolarHBondContact O-N 3.37Å |
| 879 | N | 65.2 | Low | 63.6 | Low | 120 Ų | 120 | 113.6 Ų | 113.6 | 64% | 0.642 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -67.9 | -33.7 | -177.2 | -121 | 11.6 | 0 | 0 | 0 | 112.3 | L881 I882 | N879-L881 VanDerWaalsContact C-N 3.35Å; N879-L881 PolarHBondContact O-N 3.44Å; N879-I882 PolarHBondContact O-N 2.74Å |
| 880 | T | 70.8 | Confident | 64.4 | Low | 78 Ų | 78 | 112.7 Ų | 112.7 | 48% | 0.479 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -64.3 | -37 | -178.7 | -35.1 | 0 | 0 | 0 | 0 | 112.8 | L878 I882 T883 E884 | L878-T880 VanDerWaalsContact C-N 3.34Å; L878-T880 PolarHBondContact O-N 3.37Å; T880-I882 VanDerWaalsContact C-N 3.28Å; T880-I882 PolarHBondContact O-N 3.03Å; T880-T883 PolarHBondContact O-N 2.88Å; T880-T883 PolarHBondContact O-OG1 3.25Å; T880-E884 PolarHBondContact O-N 3.02Å |
| 881 | L | 69.1 | Low | 64.9 | Low | 104 Ų | 104 | 114.4 Ų | 114.4 | 55% | 0.545 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -67.3 | -27.4 | 178.6 | -80.9 | 161.1 | 0 | 0 | 0 | 113.1 | N879 Q885 | N879-L881 VanDerWaalsContact C-N 3.35Å; N879-L881 PolarHBondContact O-N 3.44Å; L881-Q885 PolarHBondContact O-N 3.44Å |
| 882 | I | 67.3 | Low | 65.3 | Low | 94 Ų | 94 | 112.7 Ų | 112.7 | 48% | 0.482 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -73 | -33.2 | 178.4 | -62.4 | 175 | 0 | 0 | 0 | 110.6 | N879 T880 N886 | N879-I882 PolarHBondContact O-N 2.74Å; T880-I882 VanDerWaalsContact C-N 3.28Å; T880-I882 PolarHBondContact O-N 3.03Å; I882-N886 PolarHBondContact O-ND2 3.26Å |
| 883 | T | 68.5 | Low | 65.7 | Low | 93 Ų | 93 | 115 Ų | 115 | 57% | 0.571 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65.7 | -42.7 | 172.9 | 22 | 0 | 0 | 0 | 0 | 112.6 | T880 Q885 N886 | T880-T883 PolarHBondContact O-N 2.88Å; T880-T883 PolarHBondContact O-OG1 3.25Å; T883-Q885 VanDerWaalsContact C-N 3.35Å; T883-Q885 PolarHBondContact O-N 2.64Å; T883-N886 PolarHBondContact O-N 3Å |
| 884 | E | 70.6 | Confident | 66.2 | Low | 121 Ų | 121 | 115.3 Ų | 115.3 | 57% | 0.565 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64 | -34.7 | -177.8 | -66.9 | 176.7 | 162.8 | 0 | 0 | 113.1 | T880 N886 | T880-E884 PolarHBondContact O-N 3.02Å; E884-N886 VanDerWaalsContact C-N 3.29Å; E884-N886 PolarHBondContact O-N 3.42Å |
| 885 | Q | 68.2 | Low | 66.5 | Low | 149 Ų | 149 | 113 Ų | 113 | 70% | 0.696 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.8 | -26 | 176.6 | -75.7 | -163.3 | -42.6 | 0 | 0 | 114.1 | L881 T883 | L881-Q885 PolarHBondContact O-N 3.44Å; T883-Q885 VanDerWaalsContact C-N 3.35Å; T883-Q885 PolarHBondContact O-N 2.64Å |
| 886 | N | 67 | Low | 66.8 | Low | 105 Ų | 105 | 113.5 Ų | 113.5 | 56% | 0.561 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -79.3 | -27.6 | -176.5 | -77.8 | -75.7 | 0 | 0 | 0 | 113 | I882 T883 E884 | I882-N886 PolarHBondContact O-ND2 3.26Å; T883-N886 PolarHBondContact O-N 3Å; E884-N886 VanDerWaalsContact C-N 3.29Å; E884-N886 PolarHBondContact O-N 3.42Å |
| 887 | E | 69.4 | Low | 66.8 | Low | 155 Ų | 155 | 116.7 Ų | 116.7 | 72% | 0.724 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -73.4 | -34.2 | 175.7 | -63.9 | -166.8 | 133.3 | 0 | 0 | 111.9 | L889 K890 | E887-L889 VanDerWaalsContact C-N 3.26Å; E887-L889 PolarHBondContact O-N 2.92Å; E887-K890 PolarHBondContact O-N 3.49Å |
| 888 | A | 62.3 | Low | 67 | Low | 71 Ų | 71 | 118.2 Ų | 118.2 | 59% | 0.587 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -61.8 | -30.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | K890 | A888-K890 VanDerWaalsContact C-N 3.33Å; A888-K890 PolarHBondContact O-N 3.36Å |
| 889 | L | 61.5 | Low | 67 | Low | 124 Ų | 124 | 117.9 Ų | 117.9 | 65% | 0.649 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -67.7 | -32.1 | 177.8 | -105.3 | 164.9 | 0 | 0 | 0 | 112.8 | E887 V891 S892 | E887-L889 VanDerWaalsContact C-N 3.26Å; E887-L889 PolarHBondContact O-N 2.92Å; L889-V891 PolarHBondContact O-N 2.87Å; L889-S892 PolarHBondContact O-N 2.84Å |
| 890 | K | 71.9 | Confident | 67.1 | Low | 145 Ų | 145 | 117.8 Ų | 117.8 | 63% | 0.63 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.6 | -34.3 | -171.4 | -162.6 | 179.9 | -179.3 | -170.4 | 0 | 113.2 | E887 A888 S892 E893 | E887-K890 PolarHBondContact O-N 3.49Å; A888-K890 VanDerWaalsContact C-N 3.33Å; A888-K890 PolarHBondContact O-N 3.36Å; K890-S892 PolarHBondContact O-N 3.1Å; K890-E893 PolarHBondContact O-N 3.28Å |
| 891 | V | 68.1 | Low | 67 | Low | 97 Ų | 97 | 117.2 Ų | 117.2 | 59% | 0.588 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64 | -29.5 | 177.6 | -177.2 | 0 | 0 | 0 | 0 | 111.5 | L889 E893 E894 | L889-V891 PolarHBondContact O-N 2.87Å; V891-E893 VanDerWaalsContact C-N 3.27Å; V891-E893 PolarHBondContact O-N 3.26Å; V891-E894 PolarHBondContact O-N 3.14Å |
| 892 | S | 63.9 | Low | 67.2 | Low | 86 Ų | 86 | 117.9 Ų | 117.9 | 60% | 0.601 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -73.6 | -11.8 | -178.3 | -171.2 | 0 | 0 | 0 | 0 | 114.6 | L889 K890 | L889-S892 PolarHBondContact O-N 2.84Å; K890-S892 PolarHBondContact O-N 3.1Å |
| 893 | E | 64.7 | Low | 67.2 | Low | 147 Ų | 147 | 118.3 Ų | 118.3 | 69% | 0.687 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -89.2 | -29.8 | 176.1 | -63.3 | -163.8 | 121.2 | 0 | 0 | 112.3 | K890 V891 K896 | K890-E893 PolarHBondContact O-N 3.28Å; V891-E893 VanDerWaalsContact C-N 3.27Å; V891-E893 PolarHBondContact O-N 3.26Å; E893-K896 VanDerWaalsContact O-CB 3.32Å; E893-K896 WeakPolarHBondContact O-CB 3.49Å; E893-K896 PolarHBondContact O-N 3.14Å |
| 894 | E | 68.3 | Low | 67.4 | Low | 134 Ų | 134 | 121 Ų | 121 | 63% | 0.626 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -70 | -37.7 | -177.1 | -63.8 | -177.5 | 168.2 | 0 | 0 | 112.4 | V891 K896 E897 | V891-E894 PolarHBondContact O-N 3.14Å; E894-K896 PolarHBondContact O-N 3.06Å; E894-K896 VanDerWaalsContact O-N 3.13Å; E894-E897 PolarHBondContact O-N 3.43Å |
| 895 | D | 66 | Low | 67.6 | Low | 113 Ų | 113 | 117.5 Ų | 117.5 | 60% | 0.604 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -59.5 | -23.7 | 173.8 | -91.3 | -19.3 | 0 | 0 | 0 | 113.3 | ||
| 896 | K | 65.7 | Low | 67.7 | Low | 153 Ų | 153 | 117.3 Ų | 117.3 | 67% | 0.665 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -76.1 | -29.2 | -175.5 | -169.2 | 179.2 | 175.1 | -174.8 | 0 | 113 | E893 E894 | E893-K896 VanDerWaalsContact O-CB 3.32Å; E893-K896 WeakPolarHBondContact O-CB 3.49Å; E893-K896 PolarHBondContact O-N 3.14Å; E894-K896 PolarHBondContact O-N 3.06Å; E894-K896 VanDerWaalsContact O-N 3.13Å |
| 897 | E | 66 | Low | 67.8 | Low | 154 Ų | 154 | 115.2 Ų | 115.2 | 72% | 0.72 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -74.7 | -32.1 | 177.9 | -64.1 | -158.6 | 135.6 | 0 | 0 | 112 | E894 L899 L900 A901 | E894-E897 PolarHBondContact O-N 3.43Å; E897-L899 PolarHBondContact O-N 3.48Å; E897-L900 PolarHBondContact O-N 3.21Å; E897-L900 VanDerWaalsContact O-N 3.17Å; E897-A901 PolarHBondContact O-N 3.32Å |
| 898 | L | 67.8 | Low | 68 | Low | 127 Ų | 127 | 115.3 Ų | 115.3 | 67% | 0.665 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -59.3 | -42.7 | 176.3 | -100.7 | 161.1 | 0 | 0 | 0 | 112.6 | L900 A901 | L898-L900 VanDerWaalsContact C-N 3.27Å; L898-L900 PolarHBondContact O-N 3.16Å; L898-A901 PolarHBondContact O-N 3.17Å |
| 899 | L | 65.6 | Low | 68.6 | Low | 106 Ų | 106 | 117.1 Ų | 117.1 | 56% | 0.555 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67 | -22.4 | 177.9 | -84.9 | 164.2 | 0 | 0 | 0 | 114 | E897 N903 | E897-L899 PolarHBondContact O-N 3.48Å; L899-N903 PolarHBondContact O-ND2 3.38Å |
| 900 | L | 67.4 | Low | 69 | Low | 117 Ų | 117 | 117.3 Ų | 117.3 | 61% | 0.613 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -76.1 | -30.8 | 175.1 | -78.2 | 165.8 | 0 | 0 | 0 | 112.3 | E897 L898 | E897-L900 PolarHBondContact O-N 3.21Å; E897-L900 VanDerWaalsContact O-N 3.17Å; L898-L900 VanDerWaalsContact C-N 3.27Å; L898-L900 PolarHBondContact O-N 3.16Å |
| 901 | A | 67.6 | Low | 69 | Low | 67 Ų | 67 | 117.2 Ų | 117.2 | 55% | 0.554 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -69 | -41.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | E897 L898 N903 Q904 | E897-A901 PolarHBondContact O-N 3.32Å; L898-A901 PolarHBondContact O-N 3.17Å; A901-N903 PolarHBondContact O-N 3.42Å; A901-Q904 PolarHBondContact O-N 3.17Å |
| 902 | E | 72.6 | Confident | 69.2 | Low | 117 Ų | 117 | 119.6 Ų | 119.6 | 55% | 0.547 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65 | -38.5 | -178.7 | -170.8 | 168.7 | -139.3 | 0 | 0 | 112.5 | Q904 G905 Y906 | E902-Q904 VanDerWaalsContact C-N 3.28Å; E902-Q904 PolarHBondContact O-N 3.29Å; E902-G905 WeakPolarHBondContact O-CA 3.35Å; E902-G905 PolarHBondContact O-N 2.93Å; E902-Y906 HydrophobicContact CG-CE2 4.17Å |
| 903 | N | 69.1 | Low | 69.8 | Low | 103 Ų | 103 | 122.8 Ų | 122.8 | 55% | 0.551 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -62.4 | -29.6 | 177.9 | -83.5 | -76.2 | 0 | 0 | 0 | 113.7 | L899 A901 G905 Y906 | L899-N903 PolarHBondContact O-ND2 3.38Å; A901-N903 PolarHBondContact O-N 3.42Å; N903-G905 PolarHBondContact O-N 3.21Å; N903-Y906 PolarHBondContact O-N 2.86Å |
| 904 | Q | 71.1 | Confident | 70.3 | Confident | 149 Ų | 149 | 120 Ų | 120 | 70% | 0.696 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -68.5 | -21.3 | 173.2 | -66.5 | -168.9 | 0.9 | 0 | 0 | 113.1 | A901 E902 | A901-Q904 PolarHBondContact O-N 3.17Å; E902-Q904 VanDerWaalsContact C-N 3.28Å; E902-Q904 PolarHBondContact O-N 3.29Å |
| 905 | G | 74.7 | Confident | 70.5 | Confident | 48 Ų | 48 | 119.6 Ų | 119.6 | 50% | 0.495 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -68.8 | -46.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E902 N903 A907 K908 | E902-G905 WeakPolarHBondContact O-CA 3.35Å; E902-G905 PolarHBondContact O-N 2.93Å; N903-G905 PolarHBondContact O-N 3.21Å; G905-A907 VanDerWaalsContact C-N 3.35Å; G905-A907 PolarHBondContact O-N 3.19Å; G905-K908 PolarHBondContact O-N 2.92Å |
| 906 | Y | 71.9 | Confident | 70.8 | Confident | 145 Ų | 145 | 119.9 Ų | 119.9 | 57% | 0.569 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.8 | -34.6 | -178.3 | -73.4 | -66.8 | 0 | 0 | 0 | 113.6 | E902 N903 K908 L909 L910 | E902-Y906 HydrophobicContact CG-CE2 4.17Å; N903-Y906 PolarHBondContact O-N 2.86Å; Y906-K908 VanDerWaalsContact C-N 3.31Å; Y906-K908 PolarHBondContact O-N 3.16Å; Y906-L909 PolarHBondContact O-N 3.46Å; Y906-L909 VanDerWaalsContact O-N 3.13Å; Y906-L910 PolarHBondContact O-N 3.1Å |
| 907 | A | 68.2 | Low | 71.1 | Confident | 62 Ų | 62 | 116.7 Ų | 116.7 | 51% | 0.512 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -56.3 | -42.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G905 L909 L910 | G905-A907 VanDerWaalsContact C-N 3.35Å; G905-A907 PolarHBondContact O-N 3.19Å; A907-L909 VanDerWaalsContact C-N 3.3Å; A907-L909 PolarHBondContact O-N 3.17Å; A907-L910 PolarHBondContact O-N 2.89Å |
| 908 | K | 73.8 | Confident | 71.6 | Confident | 156 Ų | 156 | 115.2 Ų | 115.2 | 68% | 0.678 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -71 | -22.3 | -179.9 | -69.7 | 179.3 | 177.4 | 173.7 | 0 | 113.8 | G905 Y906 | G905-K908 PolarHBondContact O-N 2.92Å; Y906-K908 VanDerWaalsContact C-N 3.31Å; Y906-K908 PolarHBondContact O-N 3.16Å |
| 909 | L | 73.7 | Confident | 71.7 | Confident | 110 Ų | 110 | 114.3 Ų | 114.3 | 58% | 0.576 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -77.9 | -29.5 | 178.4 | -161.5 | 75.1 | 0 | 0 | 0 | 112.1 | Y906 A907 | Y906-L909 PolarHBondContact O-N 3.46Å; Y906-L909 VanDerWaalsContact O-N 3.13Å; A907-L909 VanDerWaalsContact C-N 3.3Å; A907-L909 PolarHBondContact O-N 3.17Å |
| 910 | L | 70.4 | Confident | 72.1 | Confident | 128 Ų | 128 | 114.2 Ų | 114.2 | 67% | 0.67 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -69.1 | -43.7 | 174.9 | -82.8 | 161.2 | 0 | 0 | 0 | 111.8 | Y906 A907 Q912 K913 D914 | Y906-L910 PolarHBondContact O-N 3.1Å; A907-L910 PolarHBondContact O-N 2.89Å; L910-Q912 VanDerWaalsContact C-N 3.27Å; L910-Q912 PolarHBondContact O-N 2.87Å; L910-K913 PolarHBondContact O-N 2.9Å; L910-D914 PolarHBondContact O-N 3.36Å |
| 911 | E | 71.3 | Confident | 72.2 | Confident | 143 Ų | 143 | 115 Ų | 115 | 67% | 0.668 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -58.7 | -35.4 | -177.8 | -165.2 | 170.5 | -138.6 | 0 | 0 | 112.8 | K913 | E911-K913 PolarHBondContact O-N 3Å |
| 912 | Q | 73.1 | Confident | 72.3 | Confident | 146 Ų | 146 | 119.3 Ų | 119.3 | 68% | 0.682 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -68.7 | -27.7 | 173.6 | -76.3 | -166.9 | -23 | 0 | 0 | 114.3 | L910 | L910-Q912 VanDerWaalsContact C-N 3.27Å; L910-Q912 PolarHBondContact O-N 2.87Å |
| 913 | K | 76.7 | Confident | 72.2 | Confident | 153 Ų | 153 | 119.6 Ų | 119.6 | 67% | 0.665 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -80 | -33.4 | 179.9 | -73.3 | -154.8 | 173.7 | -169.9 | 0 | 112.9 | L910 E911 I915 L916 V917 | L910-K913 PolarHBondContact O-N 2.9Å; E911-K913 PolarHBondContact O-N 3Å; K913-I915 VanDerWaalsContact C-N 3.26Å; K913-I915 PolarHBondContact O-N 2.78Å; K913-L916 PolarHBondContact O-N 2.79Å; K913-L916 VanDerWaalsContact O-N 3.09Å; K913-V917 PolarHBondContact O-N 3.27Å |
| 914 | D | 74.3 | Confident | 72.3 | Confident | 88 Ų | 88 | 120.3 Ų | 120.3 | 47% | 0.471 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -64.2 | -31.8 | -177.6 | -161.8 | 67.7 | 0 | 0 | 0 | 112.7 | L910 L916 K918 | L910-D914 PolarHBondContact O-N 3.36Å; D914-L916 VanDerWaalsContact C-N 3.32Å; D914-L916 PolarHBondContact O-N 2.89Å; D914-K918 IonicContact OD2-NZ 3.94Å; D914-K918 PolarHBondContact OD2-NZ 2.71Å |
| 915 | I | 74.4 | Confident | 72.2 | Confident | 126 Ų | 126 | 116.6 Ų | 116.6 | 65% | 0.646 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -62 | -39.4 | 173.6 | -61.9 | 173.7 | 0 | 0 | 0 | 111.3 | K913 | K913-I915 VanDerWaalsContact C-N 3.26Å; K913-I915 PolarHBondContact O-N 2.78Å |
| 916 | L | 70.8 | Confident | 71.8 | Confident | 120 Ų | 120 | 119 Ų | 119 | 63% | 0.628 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -78 | -25.6 | -173.6 | -149.7 | 153.4 | 0 | 0 | 0 | 112.3 | K913 D914 | K913-L916 PolarHBondContact O-N 2.79Å; K913-L916 VanDerWaalsContact O-N 3.09Å; D914-L916 VanDerWaalsContact C-N 3.32Å; D914-L916 PolarHBondContact O-N 2.89Å |
| 917 | V | 73.4 | Confident | 71.7 | Confident | 85 Ų | 85 | 117.2 Ų | 117.2 | 52% | 0.515 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -68.5 | -39.7 | 175.1 | 175.4 | 0 | 0 | 0 | 0 | 111.7 | K913 D919 L920 Q921 | K913-V917 PolarHBondContact O-N 3.27Å; V917-D919 VanDerWaalsContact C-N 3.34Å; V917-D919 PolarHBondContact O-N 3.09Å; V917-L920 PolarHBondContact O-N 3.43Å; V917-Q921 PolarHBondContact O-N 2.82Å; V917-Q921 VanDerWaalsContact O-N 3.14Å |
| 918 | K | 74.5 | Confident | 71.7 | Confident | 123 Ų | 123 | 118.6 Ų | 118.6 | 54% | 0.535 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.4 | -36.8 | -177.4 | -75.6 | 163.7 | 175.7 | 147.3 | 0 | 113 | D914 Q921 Q922 | D914-K918 IonicContact OD2-NZ 3.94Å; D914-K918 PolarHBondContact OD2-NZ 2.71Å; K918-Q921 PolarHBondContact O-N 2.91Å; K918-Q922 PolarHBondContact O-N 3.31Å |
| 919 | D | 71.6 | Confident | 71.2 | Confident | 109 Ų | 109 | 116.4 Ų | 116.4 | 58% | 0.583 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -67.5 | -37.8 | -179.8 | -157.1 | 55.2 | 0 | 0 | 0 | 112.3 | V917 | V917-D919 VanDerWaalsContact C-N 3.34Å; V917-D919 PolarHBondContact O-N 3.09Å |
| 920 | L | 72.4 | Confident | 70.7 | Confident | 104 Ų | 104 | 116.9 Ų | 116.9 | 55% | 0.545 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68.2 | -36.8 | 172.2 | -74.9 | 167.9 | 0 | 0 | 0 | 112.5 | V917 Q922 Q923 | V917-L920 PolarHBondContact O-N 3.43Å; L920-Q922 VanDerWaalsContact C-N 3.28Å; L920-Q922 PolarHBondContact O-N 3.32Å; L920-Q923 PolarHBondContact O-N 2.97Å |
| 921 | Q | 70.5 | Confident | 70.3 | Confident | 134 Ų | 134 | 118 Ų | 118 | 63% | 0.626 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.2 | -32.2 | -177.8 | -162.1 | 169.6 | 13.2 | 0 | 0 | 112.2 | V917 K918 | V917-Q921 PolarHBondContact O-N 2.82Å; V917-Q921 VanDerWaalsContact O-N 3.14Å; K918-Q921 PolarHBondContact O-N 2.91Å |
| 922 | Q | 70.1 | Confident | 69.7 | Low | 156 Ų | 156 | 114.1 Ų | 114.1 | 73% | 0.729 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -74.2 | -28.4 | 178.3 | -168.3 | 154.9 | 1.4 | 0 | 0 | 113.5 | K918 L920 | K918-Q922 PolarHBondContact O-N 3.31Å; L920-Q922 VanDerWaalsContact C-N 3.28Å; L920-Q922 PolarHBondContact O-N 3.32Å |
| 923 | Q | 70.7 | Confident | 69.1 | Low | 123 Ų | 123 | 112.1 Ų | 112.1 | 58% | 0.575 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -70.8 | -30.9 | 175.8 | -62.4 | -178.7 | 21.6 | 0 | 0 | 112.7 | L920 T926 | L920-Q923 PolarHBondContact O-N 2.97Å; Q923-T926 PolarHBondContact O-OG1 2.8Å |
| 924 | L | 70.9 | Confident | 68.3 | Low | 119 Ų | 119 | 111.6 Ų | 111.6 | 62% | 0.623 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.1 | -41.1 | 178.2 | -102.4 | 162 | 0 | 0 | 0 | 112.5 | T926 L927 | L924-T926 VanDerWaalsContact C-N 3.28Å; L924-T926 PolarHBondContact O-N 2.72Å; L924-L927 PolarHBondContact O-N 3.36Å |
| 925 | S | 68.4 | Low | 67.6 | Low | 71 Ų | 71 | 112.6 Ų | 112.6 | 50% | 0.497 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -56.9 | -40.4 | -177.4 | -163.7 | 0 | 0 | 0 | 0 | 112.6 | L927 T928 | S925-L927 PolarHBondContact O-N 3.25Å; S925-T928 PolarHBondContact O-N 3.3Å |
| 926 | T | 66.7 | Low | 67.1 | Low | 99 Ų | 99 | 109.6 Ų | 109.6 | 61% | 0.607 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -69.1 | -11.2 | 179.9 | 35.4 | 0 | 0 | 0 | 0 | 115 | Q923 L924 N930 | Q923-T926 PolarHBondContact O-OG1 2.8Å; L924-T926 VanDerWaalsContact C-N 3.28Å; L924-T926 PolarHBondContact O-N 2.72Å; T926-N930 PolarHBondContact O-ND2 3.28Å |
| 927 | L | 69.5 | Low | 66.6 | Low | 107 Ų | 107 | 111.1 Ų | 111.1 | 56% | 0.56 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -89.8 | -33.1 | 174.2 | -166.9 | 67.2 | 0 | 0 | 0 | 111.9 | L924 S925 | L924-L927 PolarHBondContact O-N 3.36Å; S925-L927 PolarHBondContact O-N 3.25Å |
| 928 | T | 67.6 | Low | 66.1 | Low | 90 Ų | 90 | 109.6 Ų | 109.6 | 55% | 0.552 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.3 | -43.8 | -176.4 | -57.6 | 0 | 0 | 0 | 0 | 112.8 | S925 N930 Y931 A932 | S925-T928 PolarHBondContact O-N 3.3Å; T928-N930 PolarHBondContact O-N 3.5Å; T928-N930 VanDerWaalsContact O-N 3.16Å; T928-Y931 PolarHBondContact O-N 3.48Å; T928-A932 PolarHBondContact O-N 2.69Å |
| 929 | D | 64.3 | Low | 65.8 | Low | 111 Ų | 111 | 108.7 Ų | 108.7 | 59% | 0.594 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -59.9 | -30.8 | -175.4 | -64.5 | -24.7 | 0 | 0 | 0 | 113.2 | ||
| 930 | N | 62.8 | Low | 65.7 | Low | 120 Ų | 120 | 110.8 Ų | 110.8 | 64% | 0.642 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -72.9 | -26.7 | 178.3 | -74.1 | -60.9 | 0 | 0 | 0 | 113.3 | T926 T928 | T926-N930 PolarHBondContact O-ND2 3.28Å; T928-N930 PolarHBondContact O-N 3.5Å; T928-N930 VanDerWaalsContact O-N 3.16Å |
| 931 | Y | 63.3 | Low | 65.6 | Low | 151 Ų | 151 | 111.8 Ų | 111.8 | 59% | 0.592 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -78.5 | -27.7 | 177.2 | -92.3 | -80.5 | 0 | 0 | 0 | 112.8 | T928 V933 Q934 | T928-Y931 PolarHBondContact O-N 3.48Å; Y931-V933 PolarHBondContact O-N 2.94Å; Y931-Q934 PolarHBondContact O-N 3.48Å |
| 932 | A | 57.1 | Low | 65.8 | Low | 61 Ų | 61 | 110 Ų | 110 | 50% | 0.504 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -58.9 | -33.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | T928 | T928-A932 PolarHBondContact O-N 2.69Å |
| 933 | V | 60.9 | Low | 65.8 | Low | 105 Ų | 105 | 108.1 Ų | 108.1 | 64% | 0.636 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68.1 | -40.4 | -179.3 | -177.9 | 0 | 0 | 0 | 0 | 111.9 | Y931 L935 S936 | Y931-V933 PolarHBondContact O-N 2.94Å; V933-L935 VanDerWaalsContact C-N 3.32Å; V933-L935 PolarHBondContact O-N 2.68Å; V933-S936 PolarHBondContact O-N 3.42Å; V933-S936 PolarHBondContact O-OG 2.84Å |
| 934 | Q | 60.7 | Low | 65.9 | Low | 141 Ų | 141 | 104.1 Ų | 104.1 | 66% | 0.659 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -71.2 | -25.8 | -177.3 | -68 | -173.4 | -10.6 | 0 | 0 | 113.2 | Y931 S936 | Y931-Q934 PolarHBondContact O-N 3.48Å; Q934-S936 VanDerWaalsContact C-N 3.3Å; Q934-S936 PolarHBondContact O-N 2.8Å |
| 935 | L | 58.5 | Low | 66.1 | Low | 110 Ų | 110 | 104.9 Ų | 104.9 | 58% | 0.576 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.1 | -34.5 | 175.6 | -74.8 | 161.9 | 0 | 0 | 0 | 112.2 | V933 E937 A938 D939 | V933-L935 VanDerWaalsContact C-N 3.32Å; V933-L935 PolarHBondContact O-N 2.68Å; L935-E937 PolarHBondContact O-N 2.77Å; L935-E937 VanDerWaalsContact O-N 3.1Å; L935-A938 WeakPolarHBondContact O-CB 3.46Å; L935-A938 PolarHBondContact O-N 2.84Å; L935-D939 PolarHBondContact O-N 3.06Å |
| 936 | S | 63.5 | Low | 66.4 | Low | 62 Ų | 62 | 105.9 Ų | 105.9 | 43% | 0.434 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.4 | -13.2 | -176.7 | 72.5 | 0 | 0 | 0 | 0 | 115.7 | V933 Q934 | V933-S936 PolarHBondContact O-N 3.42Å; V933-S936 PolarHBondContact O-OG 2.84Å; Q934-S936 VanDerWaalsContact C-N 3.3Å; Q934-S936 PolarHBondContact O-N 2.8Å |
| 937 | E | 61.6 | Low | 66.6 | Low | 152 Ų | 152 | 107.3 Ų | 107.3 | 71% | 0.71 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -89.2 | -26.1 | 169.4 | -66.2 | -164.4 | 130 | 0 | 0 | 112.6 | L935 | L935-E937 PolarHBondContact O-N 2.77Å; L935-E937 VanDerWaalsContact O-N 3.1Å |
| 938 | A | 62.9 | Low | 66.8 | Low | 54 Ų | 54 | 108 Ų | 108 | 45% | 0.446 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -71 | -35.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | L935 K940 L941 K942 | L935-A938 WeakPolarHBondContact O-CB 3.46Å; L935-A938 PolarHBondContact O-N 2.84Å; A938-K940 VanDerWaalsContact C-N 3.29Å; A938-K940 PolarHBondContact O-N 3.13Å; A938-L941 WeakPolarHBondContact O-CA 3.22Å; A938-L941 WeakPolarHBondContact O-CB 3.25Å; A938-L941 PolarHBondContact O-N 2.96Å; A938-K942 PolarHBondContact O-N 3.07Å |
| 939 | D | 68 | Low | 67.1 | Low | 103 Ų | 103 | 105.9 Ų | 105.9 | 55% | 0.551 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -57.2 | -39.5 | 179.2 | -64.6 | -37.8 | 0 | 0 | 0 | 112.6 | L935 L941 K942 E943 | L935-D939 PolarHBondContact O-N 3.06Å; D939-L941 VanDerWaalsContact C-N 3.26Å; D939-L941 PolarHBondContact O-N 3.32Å; D939-K942 WeakPolarHBondContact O-CB 3.36Å; D939-K942 PolarHBondContact O-N 2.89Å; D939-K942 VanDerWaalsContact O-N 3.14Å; D939-E943 PolarHBondContact O-N 2.7Å |
| 940 | K | 69.2 | Low | 67.5 | Low | 154 Ų | 154 | 105.8 Ų | 105.8 | 67% | 0.67 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.2 | -26.7 | 176.1 | -67.8 | 176.4 | -177.2 | 166 | 0 | 113.2 | A938 G944 | A938-K940 VanDerWaalsContact C-N 3.29Å; A938-K940 PolarHBondContact O-N 3.13Å; K940-G944 PolarHBondContact O-N 2.8Å |
| 941 | L | 70.6 | Confident | 68.1 | Low | 125 Ų | 125 | 106.3 Ų | 106.3 | 65% | 0.654 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -77.6 | -34.4 | 173 | -114.3 | 166.6 | 0 | 0 | 0 | 111 | A938 D939 G944 M945 | A938-L941 WeakPolarHBondContact O-CA 3.22Å; A938-L941 WeakPolarHBondContact O-CB 3.25Å; A938-L941 PolarHBondContact O-N 2.96Å; D939-L941 VanDerWaalsContact C-N 3.26Å; D939-L941 PolarHBondContact O-N 3.32Å; L941-G944 PolarHBondContact O-N 3.14Å; L941-M945 WeakPolarHBondContact O-CG 3.35Å; L941-M945 PolarHBondContact O-N 3.32Å |
| 942 | K | 74.7 | Confident | 68.9 | Low | 97 Ų | 97 | 105.5 Ų | 105.5 | 42% | 0.422 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.4 | -49.8 | 172 | -162.7 | -174.4 | -163.3 | -94.6 | 0 | 111.2 | D337 A938 D939 G944 M945 E946 | D337-K942 IonicContact OD2-NZ 3.26Å; D337-K942 PolarHBondContact OD2-NZ 2.88Å; A938-K942 PolarHBondContact O-N 3.07Å; D939-K942 WeakPolarHBondContact O-CB 3.36Å; D939-K942 PolarHBondContact O-N 2.89Å; D939-K942 VanDerWaalsContact O-N 3.14Å; K942-G944 VanDerWaalsContact C-N 3.27Å; K942-G944 PolarHBondContact O-N 3.27Å; K942-M945 WeakPolarHBondContact O-CA 3.07Å; K942-M945 PolarHBondContact O-N 3.05Å; K942-E946 HydrophobicContact CG-CG 4.45Å; K942-E946 IonicContact NZ-OE1 3.96Å; K942-E946 PolarHBondContact NZ-OE1 2.84Å; K942-E946 WeakPolarHBondContact O-CG 3.41Å; K942-E946 PolarHBondContact O-N 3.1Å |
| 943 | E | 70.5 | Confident | 69.9 | Low | 115 Ų | 115 | 106.1 Ų | 106.1 | 54% | 0.537 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -55.8 | -39.9 | 179 | -171.9 | 178 | -160 | 0 | 0 | 112.2 | D939 E946 Q947 | D939-E943 PolarHBondContact O-N 2.7Å; E943-E946 PolarHBondContact O-N 2.91Å; E943-Q947 WeakPolarHBondContact O-CG 3.42Å; E943-Q947 PolarHBondContact O-N 3.41Å |
| 944 | G | 73 | Confident | 70.7 | Confident | 40 Ų | 40 | 108.9 Ų | 108.9 | 41% | 0.412 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.6 | -32.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | K940 L941 K942 | K940-G944 PolarHBondContact O-N 2.8Å; L941-G944 PolarHBondContact O-N 3.14Å; K942-G944 VanDerWaalsContact C-N 3.27Å; K942-G944 PolarHBondContact O-N 3.27Å |
| 945 | M | 74.8 | Confident | 71.4 | Confident | 135 Ų | 135 | 108.4 Ų | 108.4 | 67% | 0.665 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -76.5 | -33.3 | 174.5 | -70.5 | -167.1 | 70.3 | 0 | 0 | 112.6 | L941 K942 L948 A949 | L941-M945 WeakPolarHBondContact O-CG 3.35Å; L941-M945 PolarHBondContact O-N 3.32Å; K942-M945 WeakPolarHBondContact O-CA 3.07Å; K942-M945 PolarHBondContact O-N 3.05Å; M945-L948 PolarHBondContact O-N 3.4Å; M945-A949 WeakPolarHBondContact O-CB 3.43Å; M945-A949 PolarHBondContact O-N 2.9Å |
| 946 | E | 73.7 | Confident | 72.3 | Confident | 91 Ų | 91 | 106.8 Ų | 106.8 | 43% | 0.425 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 176.1 | -73.7 | 172.4 | 177 | 0 | 0 | 111.6 | K942 E943 L948 A949 E950 | K942-E946 HydrophobicContact CG-CG 4.45Å; K942-E946 IonicContact NZ-OE1 3.96Å; K942-E946 PolarHBondContact NZ-OE1 2.84Å; K942-E946 WeakPolarHBondContact O-CG 3.41Å; K942-E946 PolarHBondContact O-N 3.1Å; E943-E946 PolarHBondContact O-N 2.91Å; E946-L948 VanDerWaalsContact C-N 3.31Å; E946-L948 PolarHBondContact O-N 3.31Å; E946-A949 WeakPolarHBondContact O-CB 3.27Å; E946-A949 PolarHBondContact O-N 3.01Å; E946-E950 PolarHBondContact O-N 2.77Å |
| 947 | Q | 72.3 | Confident | 72.8 | Confident | 129 Ų | 129 | 108.5 Ų | 108.5 | 60% | 0.603 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.8 | -39.5 | 173.7 | -67.9 | 178 | 23 | 0 | 0 | 112.4 | E943 E950 E951 | E943-Q947 WeakPolarHBondContact O-CG 3.42Å; E943-Q947 PolarHBondContact O-N 3.41Å; Q947-E950 PolarHBondContact O-N 3.1Å; Q947-E951 PolarHBondContact O-N 2.7Å |
| 948 | L | 73.3 | Confident | 73.4 | Confident | 121 Ų | 121 | 104 Ų | 104 | 63% | 0.634 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -69.2 | -34.2 | 176.2 | -118.7 | 167.5 | 0 | 0 | 0 | 112.3 | M945 E946 K952 | M945-L948 PolarHBondContact O-N 3.4Å; E946-L948 VanDerWaalsContact C-N 3.31Å; E946-L948 PolarHBondContact O-N 3.31Å; L948-K952 VanDerWaalsContact O-CB 3.28Å; L948-K952 WeakPolarHBondContact O-CB 3.39Å; L948-K952 PolarHBondContact O-N 3.35Å |
| 949 | A | 73.2 | Confident | 73.8 | Confident | 47 Ų | 47 | 105.7 Ų | 105.7 | 39% | 0.388 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.5 | -38.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | M945 E946 N953 | M945-A949 WeakPolarHBondContact O-CB 3.43Å; M945-A949 PolarHBondContact O-N 2.9Å; E946-A949 WeakPolarHBondContact O-CB 3.27Å; E946-A949 PolarHBondContact O-N 3.01Å; A949-N953 WeakPolarHBondContact O-CB 3.29Å; A949-N953 VanDerWaalsContact O-CG 3.3Å; A949-N953 PolarHBondContact O-N 3.01Å; A949-N953 PolarHBondContact O-ND2 2.8Å |
| 950 | E | 74 | Confident | 74.2 | Confident | 109 Ų | 109 | 105.8 Ų | 105.8 | 51% | 0.509 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.8 | -49.8 | 171.1 | -87.8 | -155.8 | -149.6 | 0 | 0 | 112.1 | E946 Q947 K952 N953 R954 | E946-E950 PolarHBondContact O-N 2.77Å; Q947-E950 PolarHBondContact O-N 3.1Å; E950-K952 VanDerWaalsContact C-N 3.34Å; E950-K952 PolarHBondContact O-N 2.82Å; E950-N953 PolarHBondContact O-N 2.97Å; E950-N953 VanDerWaalsContact O-N 3.1Å; E950-R954 VanDerWaalsContact O-CG 3.32Å; E950-R954 WeakPolarHBondContact O-CG 3.36Å; E950-R954 PolarHBondContact O-N 3.46Å; E950-R954 IonicContact OE2-CZ 2.65Å; E950-R954 IonicContact OE2-NE 2.77Å; E950-R954 IonicContact OE2-NH2 2.78Å; E950-R954 PolarHBondContact OE2-NH2 3.46Å |
| 951 | E | 74 | Confident | 74.4 | Confident | 130 Ų | 130 | 104 Ų | 104 | 61% | 0.607 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64 | -40.2 | -179.6 | -172.2 | 163.8 | -145.2 | 0 | 0 | 111.7 | Q947 N953 R954 L955 | Q947-E951 PolarHBondContact O-N 2.7Å; E951-N953 VanDerWaalsContact C-N 3.35Å; E951-N953 PolarHBondContact O-N 2.75Å; E951-R954 PolarHBondContact O-N 2.72Å; E951-L955 WeakPolarHBondContact O-CB 3.26Å; E951-L955 PolarHBondContact O-N 2.71Å |
| 952 | K | 80.8 | Confident | 74.8 | Confident | 135 Ų | 135 | 105.3 Ų | 105.3 | 59% | 0.587 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -56.4 | -45.7 | 169.5 | 178.9 | -173.9 | 174.3 | -171.2 | 0 | 111.9 | L948 E950 L955 I956 | L948-K952 VanDerWaalsContact O-CB 3.28Å; L948-K952 WeakPolarHBondContact O-CB 3.39Å; L948-K952 PolarHBondContact O-N 3.35Å; E950-K952 VanDerWaalsContact C-N 3.34Å; E950-K952 PolarHBondContact O-N 2.82Å; K952-L955 PolarHBondContact O-N 2.92Å; K952-I956 HydrophobicContact CG-CD1 3.9Å; K952-I956 WeakPolarHBondContact O-CB 3.15Å; K952-I956 VanDerWaalsContact O-CG1 3.29Å; K952-I956 WeakPolarHBondContact O-CG1 3.26Å; K952-I956 PolarHBondContact O-N 3.31Å |
| 953 | N | 77.7 | Confident | 74.7 | Confident | 74 Ų | 74 | 108 Ų | 108 | 40% | 0.396 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68 | -37.2 | 178.8 | -77.6 | -21.6 | 0 | 0 | 0 | 112.5 | A949 E950 E951 L955 I956 N957 | A949-N953 WeakPolarHBondContact O-CB 3.29Å; A949-N953 VanDerWaalsContact O-CG 3.3Å; A949-N953 PolarHBondContact O-N 3.01Å; A949-N953 PolarHBondContact O-ND2 2.8Å; E950-N953 PolarHBondContact O-N 2.97Å; E950-N953 VanDerWaalsContact O-N 3.1Å; E951-N953 VanDerWaalsContact C-N 3.35Å; E951-N953 PolarHBondContact O-N 2.75Å; N953-L955 VanDerWaalsContact C-N 3.34Å; N953-I956 PolarHBondContact O-N 2.81Å; N953-N957 WeakPolarHBondContact O-CB 3.16Å; N953-N957 VanDerWaalsContact O-CG 3.24Å; N953-N957 PolarHBondContact O-N 3.3Å; N953-N957 PolarHBondContact O-ND2 3.07Å |
| 954 | R | 78.4 | Confident | 74.9 | Confident | 163 Ų | 163 | 106.4 Ų | 106.4 | 62% | 0.615 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.4 | -42.8 | 171.7 | -66.5 | 170.6 | -163.7 | -174.7 | 4.9 | 111 | E950 E951 N957 A958 | E950-R954 VanDerWaalsContact O-CG 3.32Å; E950-R954 WeakPolarHBondContact O-CG 3.36Å; E950-R954 PolarHBondContact O-N 3.46Å; E950-R954 IonicContact OE2-CZ 2.65Å; E950-R954 IonicContact OE2-NE 2.77Å; E950-R954 IonicContact OE2-NH2 2.78Å; E950-R954 PolarHBondContact OE2-NH2 3.46Å; E951-R954 PolarHBondContact O-N 2.72Å; R954-N957 PolarHBondContact O-N 3.48Å; R954-A958 WeakPolarHBondContact O-CB 3.39Å; R954-A958 PolarHBondContact O-N 3.18Å |
| 955 | L | 75.2 | Confident | 74.9 | Confident | 130 Ų | 130 | 107.8 Ų | 107.8 | 68% | 0.681 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.2 | -40.6 | 177.8 | -148.5 | 79 | 0 | 0 | 0 | 112.4 | E951 K952 N953 A958 C959 | E951-L955 WeakPolarHBondContact O-CB 3.26Å; E951-L955 PolarHBondContact O-N 2.71Å; K952-L955 PolarHBondContact O-N 2.92Å; N953-L955 VanDerWaalsContact C-N 3.34Å; L955-A958 PolarHBondContact O-N 2.99Å; L955-C959 WeakPolarHBondContact O-CB 3.41Å; L955-C959 PolarHBondContact O-N 3.33Å |
| 956 | I | 76.8 | Confident | 74.8 | Confident | 76 Ų | 76 | 106.3 Ų | 106.3 | 39% | 0.39 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 172.9 | -72.6 | 168.2 | 0 | 0 | 0 | 110.3 | K952 N953 A958 C959 M960 | K952-I956 HydrophobicContact CG-CD1 3.9Å; K952-I956 WeakPolarHBondContact O-CB 3.15Å; K952-I956 VanDerWaalsContact O-CG1 3.29Å; K952-I956 WeakPolarHBondContact O-CG1 3.26Å; K952-I956 PolarHBondContact O-N 3.31Å; N953-I956 PolarHBondContact O-N 2.81Å; I956-A958 PolarHBondContact O-N 2.79Å; I956-C959 CarbonylContact O-C 3.48Å; I956-C959 PolarHBondContact O-N 2.71Å; I956-M960 HydrophobicContact CG2-CG 4.17Å; I956-M960 WeakPolarHBondContact O-CB 3.34Å; I956-M960 VanDerWaalsContact O-CG 3.24Å; I956-M960 WeakPolarHBondContact O-CG 3.48Å; I956-M960 PolarHBondContact O-N 2.91Å |
| 957 | N | 74.8 | Confident | 74.7 | Confident | 99 Ų | 99 | 104.3 Ų | 104.3 | 53% | 0.529 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 178.4 | -73.8 | -16.5 | 0 | 0 | 0 | 112.2 | N953 R954 C959 M960 L961 | N953-N957 WeakPolarHBondContact O-CB 3.16Å; N953-N957 VanDerWaalsContact O-CG 3.24Å; N953-N957 PolarHBondContact O-N 3.3Å; N953-N957 PolarHBondContact O-ND2 3.07Å; R954-N957 PolarHBondContact O-N 3.48Å; N957-C959 VanDerWaalsContact C-N 3.34Å; N957-C959 PolarHBondContact O-N 2.9Å; N957-M960 PolarHBondContact O-N 3.18Å; N957-L961 WeakPolarHBondContact O-CB 3.48Å; N957-L961 WeakPolarHBondContact O-CG 3.36Å; N957-L961 PolarHBondContact O-N 2.8Å |
| 958 | A | 73 | Confident | 74.9 | Confident | 58 Ų | 58 | 103.3 Ų | 103.3 | 48% | 0.479 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.8 | -39.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R954 L955 I956 K962 | R954-A958 WeakPolarHBondContact O-CB 3.39Å; R954-A958 PolarHBondContact O-N 3.18Å; L955-A958 PolarHBondContact O-N 2.99Å; I956-A958 PolarHBondContact O-N 2.79Å; A958-K962 WeakPolarHBondContact O-CB 3.26Å; A958-K962 PolarHBondContact O-N 2.74Å |
| 959 | C | 72.2 | Confident | 74.9 | Confident | 88 Ų | 88 | 100.7 Ų | 100.7 | 60% | 0.595 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -69.5 | -38.9 | 176.2 | -161.5 | 0 | 0 | 0 | 0 | 112.2 | L955 I956 N957 K962 K963 | L955-C959 WeakPolarHBondContact O-CB 3.41Å; L955-C959 PolarHBondContact O-N 3.33Å; I956-C959 CarbonylContact O-C 3.48Å; I956-C959 PolarHBondContact O-N 2.71Å; N957-C959 VanDerWaalsContact C-N 3.34Å; N957-C959 PolarHBondContact O-N 2.9Å; C959-K962 PolarHBondContact O-N 3.48Å; C959-K963 WeakPolarHBondContact O-CB 3.49Å; C959-K963 PolarHBondContact O-N 2.92Å |
| 960 | M | 75.5 | Confident | 75.1 | Confident | 105 Ų | 105 | 104.2 Ų | 104.2 | 52% | 0.517 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.3 | -46.7 | 173.5 | -75.5 | -78.4 | -77.5 | 0 | 0 | 111.5 | I956 N957 K962 K963 I964 | I956-M960 HydrophobicContact CG2-CG 4.17Å; I956-M960 WeakPolarHBondContact O-CB 3.34Å; I956-M960 VanDerWaalsContact O-CG 3.24Å; I956-M960 WeakPolarHBondContact O-CG 3.48Å; I956-M960 PolarHBondContact O-N 2.91Å; N957-M960 PolarHBondContact O-N 3.18Å; M960-K962 VanDerWaalsContact C-N 3.33Å; M960-K962 PolarHBondContact O-N 2.93Å; M960-K963 CarbonylContact O-C 3.39Å; M960-K963 WeakPolarHBondContact O-CB 3.31Å; M960-K963 PolarHBondContact O-N 3.39Å; M960-K963 VanDerWaalsContact O-N 3.12Å; M960-I964 WeakPolarHBondContact O-CG1 3.29Å; M960-I964 PolarHBondContact O-N 3.3Å |
| 961 | L | 74.1 | Confident | 75.1 | Confident | 118 Ų | 118 | 104.8 Ų | 104.8 | 62% | 0.618 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.8 | -41.5 | 174.3 | -74.4 | 168.6 | 0 | 0 | 0 | 111.7 | N957 K963 I964 S965 | N957-L961 WeakPolarHBondContact O-CB 3.48Å; N957-L961 WeakPolarHBondContact O-CG 3.36Å; N957-L961 PolarHBondContact O-N 2.8Å; L961-K963 VanDerWaalsContact C-N 3.31Å; L961-K963 PolarHBondContact O-N 3.43Å; L961-I964 PolarHBondContact O-N 3.24Å; L961-S965 WeakPolarHBondContact O-CB 3.46Å; L961-S965 PolarHBondContact O-N 3.32Å |
| 962 | K | 78.7 | Confident | 75.2 | Confident | 152 Ų | 152 | 101.9 Ų | 101.9 | 66% | 0.661 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.8 | -33.4 | 174.3 | -166 | 170.5 | -175.7 | 176.8 | 0 | 112.4 | A958 C959 M960 L966 | A958-K962 WeakPolarHBondContact O-CB 3.26Å; A958-K962 PolarHBondContact O-N 2.74Å; C959-K962 PolarHBondContact O-N 3.48Å; M960-K962 VanDerWaalsContact C-N 3.33Å; M960-K962 PolarHBondContact O-N 2.93Å; K962-L966 WeakPolarHBondContact O-CB 3.39Å; K962-L966 WeakPolarHBondContact O-CG 3.22Å; K962-L966 PolarHBondContact O-N 3.19Å |
| 963 | K | 74.1 | Confident | 74.9 | Confident | 152 Ų | 152 | 99.2 Ų | 99.2 | 66% | 0.661 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -73.2 | -36.2 | 174.8 | -168 | 178.5 | -178.5 | -176.9 | 0 | 112.6 | C959 M960 L961 L966 S967 | C959-K963 WeakPolarHBondContact O-CB 3.49Å; C959-K963 PolarHBondContact O-N 2.92Å; M960-K963 CarbonylContact O-C 3.39Å; M960-K963 WeakPolarHBondContact O-CB 3.31Å; M960-K963 PolarHBondContact O-N 3.39Å; M960-K963 VanDerWaalsContact O-N 3.12Å; L961-K963 VanDerWaalsContact C-N 3.31Å; L961-K963 PolarHBondContact O-N 3.43Å; K963-L966 PolarHBondContact O-N 3.37Å; K963-S967 WeakPolarHBondContact O-CB 3.47Å; K963-S967 PolarHBondContact O-N 2.78Å |
| 964 | I | 74.4 | Confident | 74.7 | Confident | 83 Ų | 83 | 99 Ų | 99 | 43% | 0.426 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.7 | -51.6 | 171.2 | -70.8 | 160.3 | 0 | 0 | 0 | 109.2 | M960 L961 L966 S967 E968 | M960-I964 WeakPolarHBondContact O-CG1 3.29Å; M960-I964 PolarHBondContact O-N 3.3Å; L961-I964 PolarHBondContact O-N 3.24Å; I964-L966 VanDerWaalsContact C-N 3.3Å; I964-L966 PolarHBondContact O-N 3.46Å; I964-S967 CarbonylContact O-C 3.59Å; I964-S967 WeakPolarHBondContact O-CA 3.37Å; I964-S967 WeakPolarHBondContact O-CB 3.2Å; I964-S967 PolarHBondContact O-N 2.82Å; I964-E968 HydrophobicContact CG2-CG 4.29Å; I964-E968 WeakPolarHBondContact O-CG 3.49Å; I964-E968 PolarHBondContact O-N 3.39Å |
| 965 | S | 71.7 | Confident | 74.6 | Confident | 69 Ų | 69 | 95.5 Ų | 95.5 | 48% | 0.483 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.9 | -36.4 | 176.6 | -179.1 | 0 | 0 | 0 | 0 | 113.1 | L961 S969 | L961-S965 WeakPolarHBondContact O-CB 3.46Å; L961-S965 PolarHBondContact O-N 3.32Å; S965-S969 VanDerWaalsContact O-CB 3.25Å; S965-S969 WeakPolarHBondContact O-CB 3.26Å; S965-S969 PolarHBondContact O-N 3.36Å |
| 966 | L | 73.5 | Confident | 74.6 | Confident | 104 Ų | 104 | 94.5 Ų | 94.5 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.9 | -36.7 | 170.1 | -82.8 | 165 | 0 | 0 | 0 | 112.7 | K962 K963 I964 E970 | K962-L966 WeakPolarHBondContact O-CB 3.39Å; K962-L966 WeakPolarHBondContact O-CG 3.22Å; K962-L966 PolarHBondContact O-N 3.19Å; K963-L966 PolarHBondContact O-N 3.37Å; I964-L966 VanDerWaalsContact C-N 3.3Å; I964-L966 PolarHBondContact O-N 3.46Å; L966-E970 VanDerWaalsContact O-CB 3.27Å; L966-E970 WeakPolarHBondContact O-CB 3.34Å; L966-E970 PolarHBondContact O-N 3.12Å |
| 967 | S | 72.2 | Confident | 74.5 | Confident | 48 Ų | 48 | 94.5 Ų | 94.5 | 34% | 0.336 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -74.3 | -33.9 | 176 | -168.1 | 0 | 0 | 0 | 0 | 112.7 | K963 I964 E970 Q971 | K963-S967 WeakPolarHBondContact O-CB 3.47Å; K963-S967 PolarHBondContact O-N 2.78Å; I964-S967 CarbonylContact O-C 3.59Å; I964-S967 WeakPolarHBondContact O-CA 3.37Å; I964-S967 WeakPolarHBondContact O-CB 3.2Å; I964-S967 PolarHBondContact O-N 2.82Å; S967-E970 PolarHBondContact O-N 3.34Å; S967-Q971 VanDerWaalsContact O-CB 3.29Å; S967-Q971 WeakPolarHBondContact O-CB 3.45Å; S967-Q971 WeakPolarHBondContact O-CG 3.18Å; S967-Q971 PolarHBondContact O-N 3.48Å; S967-Q971 PolarHBondContact OG-NE2 2.94Å |
| 968 | E | 76.3 | Confident | 74.6 | Confident | 109 Ų | 109 | 97.2 Ų | 97.2 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.3 | -40.1 | 171.4 | -69.9 | 168.9 | 161.4 | 0 | 0 | 110.8 | I964 Q971 S972 | I964-E968 HydrophobicContact CG2-CG 4.29Å; I964-E968 WeakPolarHBondContact O-CG 3.49Å; I964-E968 PolarHBondContact O-N 3.39Å; E968-Q971 PolarHBondContact O-N 3.29Å; E968-S972 VanDerWaalsContact O-CB 3.3Å; E968-S972 WeakPolarHBondContact O-CB 3.22Å; E968-S972 PolarHBondContact O-N 3.06Å; E968-S972 PolarHBondContact O-OG 2.8Å |
| 969 | S | 72.3 | Confident | 74.6 | Confident | 65 Ų | 65 | 99.3 Ų | 99.3 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.3 | -48.1 | 170 | -179.9 | 0 | 0 | 0 | 0 | 111.3 | S965 Q971 S972 V973 | S965-S969 VanDerWaalsContact O-CB 3.25Å; S965-S969 WeakPolarHBondContact O-CB 3.26Å; S965-S969 PolarHBondContact O-N 3.36Å; S969-Q971 VanDerWaalsContact C-N 3.35Å; S969-Q971 PolarHBondContact O-N 2.87Å; S969-S972 CarbonylContact O-C 3.56Å; S969-S972 WeakPolarHBondContact O-CB 3.41Å; S969-S972 PolarHBondContact O-N 3.41Å; S969-S972 VanDerWaalsContact O-N 3.12Å; S969-V973 WeakPolarHBondContact O-CG2 3.43Å; S969-V973 PolarHBondContact O-N 3.12Å |
| 970 | E | 76.5 | Confident | 74.9 | Confident | 121 Ų | 121 | 100 Ų | 100 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.6 | -38.9 | 176.5 | -178.4 | 174.6 | -156.1 | 0 | 0 | 112.1 | L966 S967 N974 | L966-E970 VanDerWaalsContact O-CB 3.27Å; L966-E970 WeakPolarHBondContact O-CB 3.34Å; L966-E970 PolarHBondContact O-N 3.12Å; S967-E970 PolarHBondContact O-N 3.34Å; E970-N974 VanDerWaalsContact O-CB 3.26Å; E970-N974 WeakPolarHBondContact O-CB 3.46Å; E970-N974 PolarHBondContact O-N 3.06Å; E970-N974 PolarHBondContact O-ND2 3.14Å |
| 971 | Q | 74.2 | Confident | 75 | Confident | 122 Ų | 122 | 102.4 Ų | 102.4 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.1 | -39.5 | 172.4 | -76.2 | 174.8 | 56.9 | 0 | 0 | 111.6 | S967 E968 S969 N974 M975 | S967-Q971 VanDerWaalsContact O-CB 3.29Å; S967-Q971 WeakPolarHBondContact O-CB 3.45Å; S967-Q971 WeakPolarHBondContact O-CG 3.18Å; S967-Q971 PolarHBondContact O-N 3.48Å; S967-Q971 PolarHBondContact OG-NE2 2.94Å; E968-Q971 PolarHBondContact O-N 3.29Å; S969-Q971 VanDerWaalsContact C-N 3.35Å; S969-Q971 PolarHBondContact O-N 2.87Å; Q971-N974 PolarHBondContact O-N 2.96Å; Q971-M975 WeakPolarHBondContact O-CB 3.4Å; Q971-M975 WeakPolarHBondContact O-CG 3.24Å; Q971-M975 PolarHBondContact O-N 3.09Å |
| 972 | S | 76.2 | Confident | 75 | Confident | 68 Ų | 68 | 100.9 Ų | 100.9 | 48% | 0.476 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 175.7 | -59.3 | 0 | 0 | 0 | 0 | 111.6 | E968 S969 M975 L976 | E968-S972 VanDerWaalsContact O-CB 3.3Å; E968-S972 WeakPolarHBondContact O-CB 3.22Å; E968-S972 PolarHBondContact O-N 3.06Å; E968-S972 PolarHBondContact O-OG 2.8Å; S969-S972 CarbonylContact O-C 3.56Å; S969-S972 WeakPolarHBondContact O-CB 3.41Å; S969-S972 PolarHBondContact O-N 3.41Å; S969-S972 VanDerWaalsContact O-N 3.12Å; S972-M975 PolarHBondContact O-N 2.96Å; S972-L976 WeakPolarHBondContact O-CB 3.4Å; S972-L976 WeakPolarHBondContact O-CG 3.2Å; S972-L976 PolarHBondContact O-N 3.44Å |
| 973 | V | 75.7 | Confident | 74.9 | Confident | 79 Ų | 79 | 99 Ų | 99 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.5 | -39.4 | 174 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | S969 M975 L976 T977 | S969-V973 WeakPolarHBondContact O-CG2 3.43Å; S969-V973 PolarHBondContact O-N 3.12Å; V973-M975 VanDerWaalsContact C-N 3.35Å; V973-L976 PolarHBondContact O-N 2.85Å; V973-T977 VanDerWaalsContact O-CB 3.25Å; V973-T977 WeakPolarHBondContact O-CB 3.4Å; V973-T977 PolarHBondContact O-N 3.36Å; V973-T977 PolarHBondContact O-OG1 3.3Å |
| 974 | N | 73.4 | Confident | 75.1 | Confident | 71 Ų | 71 | 97.8 Ų | 97.8 | 38% | 0.38 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.3 | -37.7 | 172.6 | -88 | -73.9 | 0 | 0 | 0 | 112 | E970 Q971 T977 R978 | E970-N974 VanDerWaalsContact O-CB 3.26Å; E970-N974 WeakPolarHBondContact O-CB 3.46Å; E970-N974 PolarHBondContact O-N 3.06Å; E970-N974 PolarHBondContact O-ND2 3.14Å; Q971-N974 PolarHBondContact O-N 2.96Å; N974-T977 PolarHBondContact O-N 3.45Å; N974-R978 WeakPolarHBondContact O-CB 3.27Å; N974-R978 WeakPolarHBondContact O-CG 3.48Å; N974-R978 PolarHBondContact O-N 2.74Å |
| 975 | M | 75 | Confident | 75.1 | Confident | 89 Ų | 89 | 98.7 Ų | 98.7 | 44% | 0.438 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.3 | -47.3 | 172.8 | -76.5 | -59.8 | -63.7 | 0 | 0 | 111.5 | Q971 S972 V973 T977 R978 E979 | Q971-M975 WeakPolarHBondContact O-CB 3.4Å; Q971-M975 WeakPolarHBondContact O-CG 3.24Å; Q971-M975 PolarHBondContact O-N 3.09Å; S972-M975 PolarHBondContact O-N 2.96Å; V973-M975 VanDerWaalsContact C-N 3.35Å; M975-T977 PolarHBondContact O-N 3.35Å; M975-R978 CarbonylContact O-C 3.48Å; M975-R978 WeakPolarHBondContact O-CB 3.25Å; M975-R978 PolarHBondContact O-N 3.19Å; M975-R978 VanDerWaalsContact O-N 3.11Å; M975-R978 PolarHBondContact SD-NH1 3.45Å; M975-R978 VanDerWaalsContact SD-NH1 3.35Å; M975-E979 WeakPolarHBondContact O-CG 3.44Å; M975-E979 PolarHBondContact O-N 3.44Å |
| 976 | L | 75.4 | Confident | 75.2 | Confident | 109 Ų | 109 | 100.4 Ų | 100.4 | 57% | 0.571 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.9 | -30.2 | 174.3 | -71.5 | 170 | 0 | 0 | 0 | 112.5 | S972 V973 Q980 | S972-L976 WeakPolarHBondContact O-CB 3.4Å; S972-L976 WeakPolarHBondContact O-CG 3.2Å; S972-L976 PolarHBondContact O-N 3.44Å; V973-L976 PolarHBondContact O-N 2.85Å; L976-Q980 VanDerWaalsContact O-CB 3.25Å; L976-Q980 WeakPolarHBondContact O-CB 3.29Å; L976-Q980 PolarHBondContact O-N 2.92Å |
| 977 | T | 76 | Confident | 75.3 | Confident | 75 Ų | 75 | 100.3 Ų | 100.3 | 46% | 0.46 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -76.8 | -35.8 | 174.3 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | V973 N974 M975 K981 | V973-T977 VanDerWaalsContact O-CB 3.25Å; V973-T977 WeakPolarHBondContact O-CB 3.4Å; V973-T977 PolarHBondContact O-N 3.36Å; V973-T977 PolarHBondContact O-OG1 3.3Å; N974-T977 PolarHBondContact O-N 3.45Å; M975-T977 PolarHBondContact O-N 3.35Å; T977-K981 VanDerWaalsContact O-CB 3.23Å; T977-K981 WeakPolarHBondContact O-CB 3.23Å; T977-K981 PolarHBondContact O-N 3.47Å |
| 978 | R | 75.8 | Confident | 75.4 | Confident | 156 Ų | 156 | 100.8 Ų | 100.8 | 59% | 0.589 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.9 | -41.6 | 169.1 | -72.1 | 164.5 | -170.7 | 159 | 3.4 | 111.3 | N974 M975 K981 H982 | N974-R978 WeakPolarHBondContact O-CB 3.27Å; N974-R978 WeakPolarHBondContact O-CG 3.48Å; N974-R978 PolarHBondContact O-N 2.74Å; M975-R978 CarbonylContact O-C 3.48Å; M975-R978 WeakPolarHBondContact O-CB 3.25Å; M975-R978 PolarHBondContact O-N 3.19Å; M975-R978 VanDerWaalsContact O-N 3.11Å; M975-R978 PolarHBondContact SD-NH1 3.45Å; M975-R978 VanDerWaalsContact SD-NH1 3.35Å; R978-K981 PolarHBondContact O-N 2.8Å; R978-H982 VanDerWaalsContact O-CB 3.25Å; R978-H982 WeakPolarHBondContact O-CB 3.3Å; R978-H982 PolarHBondContact O-N 3.24Å |
| 979 | E | 73.6 | Confident | 75.4 | Confident | 102 Ų | 102 | 99.3 Ų | 99.3 | 48% | 0.477 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.5 | -44.7 | 174.2 | -73.2 | -177.4 | 172.3 | 0 | 0 | 111.4 | M975 K981 H982 L983 | M975-E979 WeakPolarHBondContact O-CG 3.44Å; M975-E979 PolarHBondContact O-N 3.44Å; E979-K981 VanDerWaalsContact C-N 3.31Å; E979-K981 PolarHBondContact O-N 2.93Å; E979-H982 CarbonylContact O-C 3.56Å; E979-H982 PolarHBondContact O-N 3.44Å; E979-L983 VanDerWaalsContact O-CB 3.26Å; E979-L983 WeakPolarHBondContact O-CB 3.41Å; E979-L983 VanDerWaalsContact O-CG 3.25Å; E979-L983 WeakPolarHBondContact O-CG 3.26Å; E979-L983 PolarHBondContact O-N 3.49Å |
| 980 | Q | 79.2 | Confident | 75.5 | Confident | 104 Ų | 104 | 99 Ų | 99 | 49% | 0.486 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.8 | -40.9 | 173.8 | -166.4 | -158.1 | 76.7 | 0 | 0 | 111 | L976 L983 K984 | L976-Q980 VanDerWaalsContact O-CB 3.25Å; L976-Q980 WeakPolarHBondContact O-CB 3.29Å; L976-Q980 PolarHBondContact O-N 2.92Å; Q980-L983 PolarHBondContact O-N 3.12Å; Q980-K984 HydrophobicContact CG-CD 4.42Å; Q980-K984 VanDerWaalsContact O-CB 3.32Å; Q980-K984 WeakPolarHBondContact O-CB 3.4Å; Q980-K984 WeakPolarHBondContact O-CG 3.28Å; Q980-K984 PolarHBondContact O-N 3.07Å |
| 981 | K | 77 | Confident | 75.6 | Confident | 154 Ų | 154 | 96.9 Ų | 96.9 | 67% | 0.67 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.3 | -39.7 | 175.6 | -172.5 | 171.3 | -178.6 | 174.7 | 0 | 111.8 | T977 R978 E979 Q985 | T977-K981 VanDerWaalsContact O-CB 3.23Å; T977-K981 WeakPolarHBondContact O-CB 3.23Å; T977-K981 PolarHBondContact O-N 3.47Å; R978-K981 PolarHBondContact O-N 2.8Å; E979-K981 VanDerWaalsContact C-N 3.31Å; E979-K981 PolarHBondContact O-N 2.93Å; K981-Q985 VanDerWaalsContact O-CB 3.32Å; K981-Q985 WeakPolarHBondContact O-CB 3.45Å; K981-Q985 PolarHBondContact O-N 3.07Å |
| 982 | H | 74.9 | Confident | 75.9 | Confident | 86 Ų | 86 | 97.4 Ų | 97.4 | 40% | 0.398 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71.5 | -32.2 | 176.3 | -175.5 | 43.1 | 0 | 0 | 0 | 112.5 | R978 E979 K986 | R978-H982 VanDerWaalsContact O-CB 3.25Å; R978-H982 WeakPolarHBondContact O-CB 3.3Å; R978-H982 PolarHBondContact O-N 3.24Å; E979-H982 CarbonylContact O-C 3.56Å; E979-H982 PolarHBondContact O-N 3.44Å; H982-K986 WeakPolarHBondContact NE2-CE 3.4Å; H982-K986 PolarHBondContact NE2-NZ 2.91Å; H982-K986 VanDerWaalsContact O-CB 3.28Å; H982-K986 WeakPolarHBondContact O-CB 3.24Å; H982-K986 WeakPolarHBondContact O-CG 3.42Å; H982-K986 PolarHBondContact O-N 2.93Å |
| 983 | L | 76.1 | Confident | 75.9 | Confident | 112 Ų | 112 | 99.4 Ų | 99.4 | 59% | 0.586 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -73.1 | -41.5 | 172.4 | -74.4 | 170.3 | 0 | 0 | 0 | 111.3 | E979 Q980 Q985 K986 L987 | E979-L983 VanDerWaalsContact O-CB 3.26Å; E979-L983 WeakPolarHBondContact O-CB 3.41Å; E979-L983 VanDerWaalsContact O-CG 3.25Å; E979-L983 WeakPolarHBondContact O-CG 3.26Å; E979-L983 PolarHBondContact O-N 3.49Å; Q980-L983 PolarHBondContact O-N 3.12Å; L983-Q985 VanDerWaalsContact C-N 3.32Å; L983-K986 CarbonylContact O-C 3.57Å; L983-K986 PolarHBondContact O-N 2.94Å; L983-L987 VanDerWaalsContact O-CB 3.23Å; L983-L987 WeakPolarHBondContact O-CB 3.49Å; L983-L987 PolarHBondContact O-N 2.82Å |
| 984 | K | 77.9 | Confident | 75.9 | Confident | 127 Ų | 127 | 100.2 Ų | 100.2 | 55% | 0.552 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.8 | -39.9 | 169.9 | -78.7 | 175.9 | 173.9 | 171.2 | 0 | 111.6 | Q980 L987 A988 | Q980-K984 HydrophobicContact CG-CD 4.42Å; Q980-K984 VanDerWaalsContact O-CB 3.32Å; Q980-K984 WeakPolarHBondContact O-CB 3.4Å; Q980-K984 WeakPolarHBondContact O-CG 3.28Å; Q980-K984 PolarHBondContact O-N 3.07Å; K984-L987 PolarHBondContact O-N 2.84Å; K984-A988 WeakPolarHBondContact O-CB 3.34Å; K984-A988 PolarHBondContact O-N 2.94Å |
| 985 | Q | 75 | Confident | 76.1 | Confident | 102 Ų | 102 | 102.5 Ų | 102.5 | 48% | 0.477 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.8 | -44.4 | 173.3 | -173.3 | -175.3 | -32.3 | 0 | 0 | 111.5 | K981 L983 L987 A988 E989 | K981-Q985 VanDerWaalsContact O-CB 3.32Å; K981-Q985 WeakPolarHBondContact O-CB 3.45Å; K981-Q985 PolarHBondContact O-N 3.07Å; L983-Q985 VanDerWaalsContact C-N 3.32Å; Q985-L987 VanDerWaalsContact C-N 3.3Å; Q985-L987 PolarHBondContact O-N 3.13Å; Q985-A988 PolarHBondContact O-N 3.01Å; Q985-E989 HydrophobicContact CG-CG 4.4Å; Q985-E989 WeakPolarHBondContact CG-OE1 3.29Å; Q985-E989 PolarHBondContact NE2-OE1 3.43Å; Q985-E989 VanDerWaalsContact O-CB 3.27Å; Q985-E989 WeakPolarHBondContact O-CB 3.38Å; Q985-E989 VanDerWaalsContact O-CG 3.29Å; Q985-E989 WeakPolarHBondContact O-CG 3.23Å; Q985-E989 PolarHBondContact O-N 3.47Å |
| 986 | K | 74.1 | Confident | 76 | Confident | 105 Ų | 105 | 101.5 Ų | 101.5 | 46% | 0.457 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.4 | -32.7 | 175.1 | -87.3 | 171.6 | 161.3 | 161.5 | 0 | 113 | H982 L983 S990 | H982-K986 WeakPolarHBondContact NE2-CE 3.4Å; H982-K986 PolarHBondContact NE2-NZ 2.91Å; H982-K986 VanDerWaalsContact O-CB 3.28Å; H982-K986 WeakPolarHBondContact O-CB 3.24Å; H982-K986 WeakPolarHBondContact O-CG 3.42Å; H982-K986 PolarHBondContact O-N 2.93Å; L983-K986 CarbonylContact O-C 3.57Å; L983-K986 PolarHBondContact O-N 2.94Å; K986-S990 WeakPolarHBondContact O-CB 3.48Å; K986-S990 PolarHBondContact O-N 3.27Å |
| 987 | L | 75.4 | Confident | 76 | Confident | 103 Ų | 103 | 100.4 Ų | 100.4 | 54% | 0.539 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.7 | -53.5 | 173.2 | -172.7 | 64.5 | 0 | 0 | 0 | 109.3 | L983 K984 Q985 E989 S990 D991 | L983-L987 VanDerWaalsContact O-CB 3.23Å; L983-L987 WeakPolarHBondContact O-CB 3.49Å; L983-L987 PolarHBondContact O-N 2.82Å; K984-L987 PolarHBondContact O-N 2.84Å; Q985-L987 VanDerWaalsContact C-N 3.3Å; Q985-L987 PolarHBondContact O-N 3.13Å; L987-E989 VanDerWaalsContact C-N 3.3Å; L987-E989 PolarHBondContact O-N 3.43Å; L987-S990 CarbonylContact O-C 3.59Å; L987-S990 WeakPolarHBondContact O-CA 3.3Å; L987-S990 VanDerWaalsContact O-CB 3.32Å; L987-S990 WeakPolarHBondContact O-CB 3.22Å; L987-S990 PolarHBondContact O-N 3.35Å; L987-D991 WeakPolarHBondContact O-CB 3.36Å; L987-D991 PolarHBondContact O-N 3.22Å |
| 988 | A | 74.5 | Confident | 76.2 | Confident | 58 Ų | 58 | 99.9 Ų | 99.9 | 48% | 0.479 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.7 | -37.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | K984 Q985 S990 F992 | K984-A988 WeakPolarHBondContact O-CB 3.34Å; K984-A988 PolarHBondContact O-N 2.94Å; Q985-A988 PolarHBondContact O-N 3.01Å; A988-S990 VanDerWaalsContact C-N 3.27Å; A988-S990 PolarHBondContact O-N 3.5Å; A988-F992 WeakPolarHBondContact O-CB 3.47Å; A988-F992 PolarHBondContact O-N 3.34Å |
| 989 | E | 74.6 | Confident | 76.3 | Confident | 78 Ų | 78 | 97.5 Ų | 97.5 | 36% | 0.364 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71.6 | -18 | 171.7 | -77 | 179.6 | -151 | 0 | 0 | 113.4 | Q985 L987 K993 | Q985-E989 HydrophobicContact CG-CG 4.4Å; Q985-E989 WeakPolarHBondContact CG-OE1 3.29Å; Q985-E989 PolarHBondContact NE2-OE1 3.43Å; Q985-E989 VanDerWaalsContact O-CB 3.27Å; Q985-E989 WeakPolarHBondContact O-CB 3.38Å; Q985-E989 VanDerWaalsContact O-CG 3.29Å; Q985-E989 WeakPolarHBondContact O-CG 3.23Å; Q985-E989 PolarHBondContact O-N 3.47Å; L987-E989 VanDerWaalsContact C-N 3.3Å; L987-E989 PolarHBondContact O-N 3.43Å; E989-K993 WeakPolarHBondContact O-CB 3.48Å; E989-K993 WeakPolarHBondContact O-CD 3.11Å; E989-K993 VanDerWaalsContact O-CE 3.28Å; E989-K993 WeakPolarHBondContact O-CE 3.46Å; E989-K993 WeakPolarHBondContact O-CG 3.39Å; E989-K993 PolarHBondContact O-NZ 2.99Å; E989-K993 IonicContact OE2-NZ 2.74Å |
| 990 | S | 74.6 | Confident | 76.7 | Confident | 57 Ų | 57 | 100.8 Ų | 100.8 | 40% | 0.399 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -89.5 | -40.8 | 174.9 | -173 | 0 | 0 | 0 | 0 | 110.3 | K986 L987 A988 K993 L994 | K986-S990 WeakPolarHBondContact O-CB 3.48Å; K986-S990 PolarHBondContact O-N 3.27Å; L987-S990 CarbonylContact O-C 3.59Å; L987-S990 WeakPolarHBondContact O-CA 3.3Å; L987-S990 VanDerWaalsContact O-CB 3.32Å; L987-S990 WeakPolarHBondContact O-CB 3.22Å; L987-S990 PolarHBondContact O-N 3.35Å; A988-S990 VanDerWaalsContact C-N 3.27Å; A988-S990 PolarHBondContact O-N 3.5Å; S990-K993 CarbonylContact O-C 3.56Å; S990-K993 WeakPolarHBondContact O-CB 3.46Å; S990-K993 PolarHBondContact O-N 3.26Å; S990-L994 WeakPolarHBondContact O-CB 3.21Å; S990-L994 PolarHBondContact O-N 2.77Å |
| 991 | D | 80 | Confident | 76.6 | Confident | 78 Ų | 78 | 99.5 Ų | 99.5 | 42% | 0.417 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.5 | -46 | 175.1 | -59.8 | -24.1 | 0 | 0 | 0 | 109.7 | L987 K993 L994 E995 | L987-D991 WeakPolarHBondContact O-CB 3.36Å; L987-D991 PolarHBondContact O-N 3.22Å; D991-K993 VanDerWaalsContact C-N 3.28Å; D991-K993 PolarHBondContact O-N 3.14Å; D991-L994 CarbonylContact O-C 3.56Å; D991-L994 WeakPolarHBondContact O-CA 3.43Å; D991-L994 WeakPolarHBondContact O-CB 3.34Å; D991-L994 PolarHBondContact O-N 3.15Å; D991-L994 VanDerWaalsContact O-N 3.07Å; D991-E995 WeakPolarHBondContact O-CB 3.02Å; D991-E995 PolarHBondContact O-N 2.96Å |
| 992 | F | 79.1 | Confident | 76.7 | Confident | 132 Ų | 132 | 98.6 Ų | 98.6 | 58% | 0.579 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.4 | -33 | 171.7 | -178.1 | -101.4 | 0 | 0 | 0 | 112.7 | A988 T996 | A988-F992 WeakPolarHBondContact O-CB 3.47Å; A988-F992 PolarHBondContact O-N 3.34Å; F992-T996 VanDerWaalsContact O-CB 3.28Å; F992-T996 WeakPolarHBondContact O-CB 3.39Å; F992-T996 PolarHBondContact O-N 3.48Å; F992-T996 PolarHBondContact O-OG1 2.71Å |
| 993 | K | 77.8 | Confident | 76.9 | Confident | 111 Ų | 111 | 101.7 Ų | 101.7 | 48% | 0.483 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.2 | -37.7 | 171.5 | -77.6 | 170.1 | -160.2 | 116.5 | 0 | 111.5 | E989 S990 D991 T996 I997 | E989-K993 WeakPolarHBondContact O-CB 3.48Å; E989-K993 WeakPolarHBondContact O-CD 3.11Å; E989-K993 VanDerWaalsContact O-CE 3.28Å; E989-K993 WeakPolarHBondContact O-CE 3.46Å; E989-K993 WeakPolarHBondContact O-CG 3.39Å; E989-K993 PolarHBondContact O-NZ 2.99Å; E989-K993 IonicContact OE2-NZ 2.74Å; S990-K993 CarbonylContact O-C 3.56Å; S990-K993 WeakPolarHBondContact O-CB 3.46Å; S990-K993 PolarHBondContact O-N 3.26Å; D991-K993 VanDerWaalsContact C-N 3.28Å; D991-K993 PolarHBondContact O-N 3.14Å; K993-T996 PolarHBondContact O-N 2.63Å; K993-I997 VanDerWaalsContact O-CB 3.29Å; K993-I997 WeakPolarHBondContact O-CB 3.29Å; K993-I997 WeakPolarHBondContact O-CD1 3.44Å; K993-I997 WeakPolarHBondContact O-CG1 3.34Å; K993-I997 PolarHBondContact O-N 2.91Å |
| 994 | L | 74.2 | Confident | 77 | Confident | 96 Ų | 96 | 100.3 Ų | 100.3 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.1 | -46.1 | 174.6 | -106.6 | 161.9 | 0 | 0 | 0 | 110.7 | S990 D991 I997 C998 | S990-L994 WeakPolarHBondContact O-CB 3.21Å; S990-L994 PolarHBondContact O-N 2.77Å; D991-L994 CarbonylContact O-C 3.56Å; D991-L994 WeakPolarHBondContact O-CA 3.43Å; D991-L994 WeakPolarHBondContact O-CB 3.34Å; D991-L994 PolarHBondContact O-N 3.15Å; D991-L994 VanDerWaalsContact O-N 3.07Å; L994-I997 CarbonylContact O-C 3.57Å; L994-I997 WeakPolarHBondContact O-CA 3.46Å; L994-I997 WeakPolarHBondContact O-CB 3.42Å; L994-I997 PolarHBondContact O-N 3.3Å; L994-I997 VanDerWaalsContact O-N 3.12Å; L994-C998 WeakPolarHBondContact O-CB 3.08Å; L994-C998 PolarHBondContact O-N 2.66Å; L994-C998 PolarHBondContact O-SG 3.26Å |
| 995 | E | 77.7 | Confident | 77.2 | Confident | 119 Ų | 119 | 99.3 Ų | 99.3 | 56% | 0.556 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.2 | -48.3 | 172.9 | -169.4 | 170.3 | -137.6 | 0 | 0 | 110.8 | D991 I997 C998 D999 | D991-E995 WeakPolarHBondContact O-CB 3.02Å; D991-E995 PolarHBondContact O-N 2.96Å; E995-I997 PolarHBondContact O-N 2.91Å; E995-C998 CarbonylContact O-C 3.55Å; E995-C998 WeakPolarHBondContact O-CA 3.24Å; E995-C998 WeakPolarHBondContact O-CB 3.14Å; E995-C998 PolarHBondContact O-N 2.88Å; E995-D999 WeakPolarHBondContact O-CB 3.46Å; E995-D999 PolarHBondContact O-N 3.26Å |
| 996 | T | 74 | Confident | 77.4 | Confident | 67 Ų | 67 | 97.4 Ų | 97.4 | 41% | 0.411 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.5 | -31.3 | 173 | -56.1 | 0 | 0 | 0 | 0 | 112.7 | F992 K993 R1000 | F992-T996 VanDerWaalsContact O-CB 3.28Å; F992-T996 WeakPolarHBondContact O-CB 3.39Å; F992-T996 PolarHBondContact O-N 3.48Å; F992-T996 PolarHBondContact O-OG1 2.71Å; K993-T996 PolarHBondContact O-N 2.63Å; T996-R1000 WeakPolarHBondContact O-CB 3.38Å; T996-R1000 PolarHBondContact O-N 2.73Å |
| 997 | I | 75.6 | Confident | 77.7 | Confident | 87 Ų | 87 | 95.8 Ų | 95.8 | 45% | 0.446 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -77.2 | -36.2 | 174.8 | -74.7 | 163.8 | 0 | 0 | 0 | 110.9 | K993 L994 E995 R1000 N1001 | K993-I997 VanDerWaalsContact O-CB 3.29Å; K993-I997 WeakPolarHBondContact O-CB 3.29Å; K993-I997 WeakPolarHBondContact O-CD1 3.44Å; K993-I997 WeakPolarHBondContact O-CG1 3.34Å; K993-I997 PolarHBondContact O-N 2.91Å; L994-I997 CarbonylContact O-C 3.57Å; L994-I997 WeakPolarHBondContact O-CA 3.46Å; L994-I997 WeakPolarHBondContact O-CB 3.42Å; L994-I997 PolarHBondContact O-N 3.3Å; L994-I997 VanDerWaalsContact O-N 3.12Å; E995-I997 PolarHBondContact O-N 2.91Å; I997-R1000 CarbonylContact O-C 3.53Å; I997-R1000 PolarHBondContact O-N 2.97Å; I997-N1001 VanDerWaalsContact O-CB 3.24Å; I997-N1001 WeakPolarHBondContact O-CB 3.29Å; I997-N1001 PolarHBondContact O-N 2.98Å; I997-N1001 PolarHBondContact O-ND2 2.82Å |
| 998 | C | 79.2 | Confident | 77.8 | Confident | 64 Ų | 64 | 92.7 Ų | 92.7 | 43% | 0.432 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.9 | -51.7 | 173 | -72.6 | 0 | 0 | 0 | 0 | 110.6 | L994 E995 R1000 N1001 E1002 | L994-C998 WeakPolarHBondContact O-CB 3.08Å; L994-C998 PolarHBondContact O-N 2.66Å; L994-C998 PolarHBondContact O-SG 3.26Å; E995-C998 CarbonylContact O-C 3.55Å; E995-C998 WeakPolarHBondContact O-CA 3.24Å; E995-C998 WeakPolarHBondContact O-CB 3.14Å; E995-C998 PolarHBondContact O-N 2.88Å; C998-R1000 PolarHBondContact O-N 2.93Å; C998-N1001 CarbonylContact O-C 3.56Å; C998-N1001 WeakPolarHBondContact O-CA 3.47Å; C998-N1001 PolarHBondContact O-N 3.21Å; C998-E1002 PolarHBondContact O-N 3.36Å |
| 999 | D | 78.9 | Confident | 78.1 | Confident | 105 Ų | 105 | 96.2 Ų | 96.2 | 56% | 0.561 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -49.8 | -46 | 169.7 | -84 | 1.2 | 0 | 0 | 0 | 111.5 | E995 K1003 | E995-D999 WeakPolarHBondContact O-CB 3.46Å; E995-D999 PolarHBondContact O-N 3.26Å; D999-K1003 WeakPolarHBondContact O-CB 3.36Å; D999-K1003 PolarHBondContact O-N 3.48Å |
| 1000 | R | 80.2 | Confident | 78.5 | Confident | 171 Ų | 171 | 97 Ų | 97 | 65% | 0.645 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.6 | -36.2 | 177.2 | 179.5 | 174.3 | 177.9 | 149.6 | 0.2 | 112 | T996 I997 C998 L1004 | T996-R1000 WeakPolarHBondContact O-CB 3.38Å; T996-R1000 PolarHBondContact O-N 2.73Å; I997-R1000 CarbonylContact O-C 3.53Å; I997-R1000 PolarHBondContact O-N 2.97Å; C998-R1000 PolarHBondContact O-N 2.93Å; R1000-L1004 HydrophobicContact CG-CD1 4.02Å; R1000-L1004 HydrophobicContact CG-CG 4.46Å; R1000-L1004 VanDerWaalsContact O-CB 3.26Å; R1000-L1004 WeakPolarHBondContact O-CB 3.32Å; R1000-L1004 WeakPolarHBondContact O-CG 3.31Å; R1000-L1004 PolarHBondContact O-N 3.23Å |
| 1001 | N | 77.8 | Confident | 78.8 | Confident | 78 Ų | 78 | 99.2 Ų | 99.2 | 42% | 0.417 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -76.1 | -40.3 | 179.3 | -73.8 | -18.3 | 0 | 0 | 0 | 111.9 | I997 C998 K1003 L1004 L1005 | I997-N1001 VanDerWaalsContact O-CB 3.24Å; I997-N1001 WeakPolarHBondContact O-CB 3.29Å; I997-N1001 PolarHBondContact O-N 2.98Å; I997-N1001 PolarHBondContact O-ND2 2.82Å; C998-N1001 CarbonylContact O-C 3.56Å; C998-N1001 WeakPolarHBondContact O-CA 3.47Å; C998-N1001 PolarHBondContact O-N 3.21Å; N1001-K1003 VanDerWaalsContact C-N 3.32Å; N1001-L1004 CarbonylContact O-C 3.57Å; N1001-L1004 PolarHBondContact O-N 2.85Å; N1001-L1005 VanDerWaalsContact O-CB 3.31Å; N1001-L1005 WeakPolarHBondContact O-CB 3.34Å; N1001-L1005 VanDerWaalsContact O-CG 3.3Å; N1001-L1005 WeakPolarHBondContact O-CG 3.49Å; N1001-L1005 PolarHBondContact O-N 2.82Å |
| 1002 | E | 79.8 | Confident | 79 | Confident | 134 Ų | 134 | 99.8 Ų | 99.8 | 63% | 0.626 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63 | -40.4 | 169.6 | -71 | -162.3 | 171.2 | 0 | 0 | 111.1 | C998 L1005 S1006 | C998-E1002 PolarHBondContact O-N 3.36Å; E1002-L1005 PolarHBondContact O-N 2.83Å; E1002-S1006 VanDerWaalsContact O-CB 3.31Å; E1002-S1006 WeakPolarHBondContact O-CB 3.46Å; E1002-S1006 PolarHBondContact O-N 2.87Å; E1002-S1006 PolarHBondContact O-OG 2.93Å |
| 1003 | K | 79.3 | Confident | 79 | Confident | 151 Ų | 151 | 96.3 Ų | 96.3 | 66% | 0.657 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.5 | -38.5 | 173.1 | -172 | 167.7 | -174.4 | 168.7 | 0 | 112.1 | D999 N1001 S1006 D1007 | D999-K1003 WeakPolarHBondContact O-CB 3.36Å; D999-K1003 PolarHBondContact O-N 3.48Å; N1001-K1003 VanDerWaalsContact C-N 3.32Å; K1003-S1006 PolarHBondContact O-N 3.49Å; K1003-D1007 VanDerWaalsContact O-CB 3.28Å; K1003-D1007 WeakPolarHBondContact O-CB 3.37Å; K1003-D1007 PolarHBondContact O-N 3.44Å |
| 1004 | L | 78.5 | Confident | 79.4 | Confident | 83 Ų | 83 | 97.5 Ų | 97.5 | 44% | 0.435 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70.1 | -34.6 | 174.3 | -78.5 | 169.4 | 0 | 0 | 0 | 112.4 | R1000 N1001 A1008 | R1000-L1004 HydrophobicContact CG-CD1 4.02Å; R1000-L1004 HydrophobicContact CG-CG 4.46Å; R1000-L1004 VanDerWaalsContact O-CB 3.26Å; R1000-L1004 WeakPolarHBondContact O-CB 3.32Å; R1000-L1004 WeakPolarHBondContact O-CG 3.31Å; R1000-L1004 PolarHBondContact O-N 3.23Å; N1001-L1004 CarbonylContact O-C 3.57Å; N1001-L1004 PolarHBondContact O-N 2.85Å; L1004-A1008 WeakPolarHBondContact O-CB 3.35Å; L1004-A1008 PolarHBondContact O-N 3.23Å |
| 1005 | L | 81.3 | Confident | 79.7 | Confident | 106 Ų | 106 | 97.3 Ų | 97.3 | 56% | 0.555 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.7 | -41.3 | 171.3 | -79.5 | 165.3 | 0 | 0 | 0 | 111.1 | N1001 E1002 A1008 Q1009 | N1001-L1005 VanDerWaalsContact O-CB 3.31Å; N1001-L1005 WeakPolarHBondContact O-CB 3.34Å; N1001-L1005 VanDerWaalsContact O-CG 3.3Å; N1001-L1005 WeakPolarHBondContact O-CG 3.49Å; N1001-L1005 PolarHBondContact O-N 2.82Å; E1002-L1005 PolarHBondContact O-N 2.83Å; L1005-A1008 PolarHBondContact O-N 3.4Å; L1005-Q1009 WeakPolarHBondContact O-CB 3.39Å; L1005-Q1009 VanDerWaalsContact O-CG 3.28Å; L1005-Q1009 WeakPolarHBondContact O-CG 3.41Å; L1005-Q1009 PolarHBondContact O-N 3.22Å |
| 1006 | S | 78.7 | Confident | 80 | Confident | 63 Ų | 63 | 97.5 Ų | 97.5 | 44% | 0.441 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.8 | -45.4 | 172.7 | -59.8 | 0 | 0 | 0 | 0 | 110.9 | E1002 K1003 A1008 Q1009 V1010 | E1002-S1006 VanDerWaalsContact O-CB 3.31Å; E1002-S1006 WeakPolarHBondContact O-CB 3.46Å; E1002-S1006 PolarHBondContact O-N 2.87Å; E1002-S1006 PolarHBondContact O-OG 2.93Å; K1003-S1006 PolarHBondContact O-N 3.49Å; S1006-A1008 VanDerWaalsContact C-N 3.28Å; S1006-A1008 PolarHBondContact O-N 3.33Å; S1006-Q1009 PolarHBondContact O-N 2.94Å; S1006-V1010 WeakPolarHBondContact O-CB 3.35Å; S1006-V1010 VanDerWaalsContact O-CG2 3.25Å; S1006-V1010 WeakPolarHBondContact O-CG2 3.47Å; S1006-V1010 PolarHBondContact O-N 3.04Å |
| 1007 | D | 79.8 | Confident | 80.5 | Confident | 71 Ų | 71 | 96.9 Ų | 96.9 | 38% | 0.38 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61 | -36.6 | 173.1 | -116.2 | 36.5 | 0 | 0 | 0 | 111.9 | K1003 K1011 | K1003-D1007 VanDerWaalsContact O-CB 3.28Å; K1003-D1007 WeakPolarHBondContact O-CB 3.37Å; K1003-D1007 PolarHBondContact O-N 3.44Å; D1007-K1011 VanDerWaalsContact O-CB 3.29Å; D1007-K1011 WeakPolarHBondContact O-CB 3.42Å; D1007-K1011 WeakPolarHBondContact O-CD 3.11Å; D1007-K1011 WeakPolarHBondContact O-CG 3.38Å; D1007-K1011 PolarHBondContact O-N 2.95Å; D1007-K1011 IonicContact OD2-NZ 3.14Å; D1007-K1011 PolarHBondContact OD2-NZ 2.77Å |
| 1008 | A | 78.7 | Confident | 80.9 | Confident | 38 Ų | 38 | 97.1 Ų | 97.1 | 31% | 0.314 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.5 | -48.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L1004 L1005 S1006 V1010 K1011 D1012 | L1004-A1008 WeakPolarHBondContact O-CB 3.35Å; L1004-A1008 PolarHBondContact O-N 3.23Å; L1005-A1008 PolarHBondContact O-N 3.4Å; S1006-A1008 VanDerWaalsContact C-N 3.28Å; S1006-A1008 PolarHBondContact O-N 3.33Å; A1008-V1010 VanDerWaalsContact C-N 3.3Å; A1008-V1010 PolarHBondContact O-N 2.97Å; A1008-K1011 CarbonylContact O-C 3.55Å; A1008-K1011 WeakPolarHBondContact O-CA 3.26Å; A1008-K1011 WeakPolarHBondContact O-CB 3.36Å; A1008-K1011 PolarHBondContact O-N 3Å; A1008-D1012 WeakPolarHBondContact O-CB 3.3Å; A1008-D1012 PolarHBondContact O-N 2.91Å |
| 1009 | Q | 81.6 | Confident | 81.1 | Confident | 132 Ų | 132 | 97.2 Ų | 97.2 | 62% | 0.617 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.8 | -38.8 | 174 | -71.7 | 173.7 | 11.7 | 0 | 0 | 112 | L1005 S1006 D1012 A1013 | L1005-Q1009 WeakPolarHBondContact O-CB 3.39Å; L1005-Q1009 VanDerWaalsContact O-CG 3.28Å; L1005-Q1009 WeakPolarHBondContact O-CG 3.41Å; L1005-Q1009 PolarHBondContact O-N 3.22Å; S1006-Q1009 PolarHBondContact O-N 2.94Å; Q1009-D1012 PolarHBondContact O-N 3.19Å; Q1009-A1013 WeakPolarHBondContact O-CB 3.45Å; Q1009-A1013 PolarHBondContact O-N 3.49Å |
| 1010 | V | 81.8 | Confident | 81.3 | Confident | 95 Ų | 95 | 94.5 Ų | 94.5 | 58% | 0.576 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.3 | -37.6 | 172.8 | 169 | 0 | 0 | 0 | 0 | 111.3 | S1006 A1008 K1014 | S1006-V1010 WeakPolarHBondContact O-CB 3.35Å; S1006-V1010 VanDerWaalsContact O-CG2 3.25Å; S1006-V1010 WeakPolarHBondContact O-CG2 3.47Å; S1006-V1010 PolarHBondContact O-N 3.04Å; A1008-V1010 VanDerWaalsContact C-N 3.3Å; A1008-V1010 PolarHBondContact O-N 2.97Å; V1010-K1014 WeakPolarHBondContact O-CB 3.19Å; V1010-K1014 PolarHBondContact O-N 2.94Å |
| 1011 | K | 82 | Confident | 81.6 | Confident | 103 Ų | 103 | 91.6 Ų | 91.6 | 45% | 0.448 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.1 | -39.3 | 172.8 | -76.2 | 158.2 | -161.7 | 153.2 | 0 | 111.6 | D1007 A1008 K1014 I1015 | D1007-K1011 VanDerWaalsContact O-CB 3.29Å; D1007-K1011 WeakPolarHBondContact O-CB 3.42Å; D1007-K1011 WeakPolarHBondContact O-CD 3.11Å; D1007-K1011 WeakPolarHBondContact O-CG 3.38Å; D1007-K1011 PolarHBondContact O-N 2.95Å; D1007-K1011 IonicContact OD2-NZ 3.14Å; D1007-K1011 PolarHBondContact OD2-NZ 2.77Å; A1008-K1011 CarbonylContact O-C 3.55Å; A1008-K1011 WeakPolarHBondContact O-CA 3.26Å; A1008-K1011 WeakPolarHBondContact O-CB 3.36Å; A1008-K1011 PolarHBondContact O-N 3Å; K1011-K1014 CarbonylContact O-C 3.55Å; K1011-K1014 WeakPolarHBondContact O-CA 3.23Å; K1011-K1014 WeakPolarHBondContact O-CB 3.3Å; K1011-K1014 PolarHBondContact O-N 3.37Å; K1011-I1015 WeakPolarHBondContact O-CB 3.41Å; K1011-I1015 WeakPolarHBondContact O-CG1 3.27Å; K1011-I1015 PolarHBondContact O-N 3.48Å |
| 1012 | D | 82.6 | Confident | 81.8 | Confident | 90 Ų | 90 | 92.4 Ų | 92.4 | 48% | 0.481 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -73.3 | -42.8 | 179.1 | -72.4 | -21.4 | 0 | 0 | 0 | 111.3 | A1008 Q1009 K1014 I1015 L1016 | A1008-D1012 WeakPolarHBondContact O-CB 3.3Å; A1008-D1012 PolarHBondContact O-N 2.91Å; Q1009-D1012 PolarHBondContact O-N 3.19Å; D1012-K1014 PolarHBondContact O-N 3Å; D1012-I1015 CarbonylContact O-C 3.22Å; D1012-I1015 PolarHBondContact O-N 3.22Å; D1012-I1015 VanDerWaalsContact O-N 3.08Å; D1012-L1016 WeakPolarHBondContact O-CB 3.34Å; D1012-L1016 VanDerWaalsContact O-CG 3.3Å; D1012-L1016 WeakPolarHBondContact O-CG 3.09Å; D1012-L1016 PolarHBondContact O-N 3.31Å |
| 1013 | A | 80.4 | Confident | 82 | Confident | 59 Ų | 59 | 90.3 Ų | 90.3 | 49% | 0.488 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.7 | -36.2 | 168 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q1009 S1017 | Q1009-A1013 WeakPolarHBondContact O-CB 3.45Å; Q1009-A1013 PolarHBondContact O-N 3.49Å; A1013-S1017 WeakPolarHBondContact O-CB 3.31Å; A1013-S1017 PolarHBondContact O-N 2.97Å |
| 1014 | K | 85.1 | Confident | 82.1 | Confident | 135 Ų | 135 | 89.4 Ų | 89.4 | 59% | 0.587 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -72.5 | -33.5 | 173.1 | -173.8 | 174.1 | -179.1 | 177.5 | 0 | 112.6 | V1010 K1011 D1012 L1018 | V1010-K1014 WeakPolarHBondContact O-CB 3.19Å; V1010-K1014 PolarHBondContact O-N 2.94Å; K1011-K1014 CarbonylContact O-C 3.55Å; K1011-K1014 WeakPolarHBondContact O-CA 3.23Å; K1011-K1014 WeakPolarHBondContact O-CB 3.3Å; K1011-K1014 PolarHBondContact O-N 3.37Å; D1012-K1014 PolarHBondContact O-N 3Å; K1014-L1018 HydrophobicContact CG-CD1 4.11Å; K1014-L1018 HydrophobicContact CG-CG 4.48Å; K1014-L1018 WeakPolarHBondContact O-CB 3.27Å; K1014-L1018 WeakPolarHBondContact O-CG 3.16Å; K1014-L1018 PolarHBondContact O-N 3.43Å |
| 1015 | I | 81.6 | Confident | 82.2 | Confident | 93 Ų | 93 | 88.9 Ų | 88.9 | 48% | 0.477 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -71.9 | -40.7 | 174.7 | -74.4 | 160.5 | 0 | 0 | 0 | 110.5 | K1011 D1012 L1018 S1019 | K1011-I1015 WeakPolarHBondContact O-CB 3.41Å; K1011-I1015 WeakPolarHBondContact O-CG1 3.27Å; K1011-I1015 PolarHBondContact O-N 3.48Å; D1012-I1015 CarbonylContact O-C 3.22Å; D1012-I1015 PolarHBondContact O-N 3.22Å; D1012-I1015 VanDerWaalsContact O-N 3.08Å; I1015-L1018 PolarHBondContact O-N 2.88Å; I1015-S1019 VanDerWaalsContact O-CB 3.25Å; I1015-S1019 WeakPolarHBondContact O-CB 3.34Å; I1015-S1019 PolarHBondContact O-N 3.08Å; I1015-S1019 PolarHBondContact O-OG 3.45Å |
| 1016 | L | 82.7 | Confident | 82.4 | Confident | 122 Ų | 122 | 90.4 Ų | 90.4 | 64% | 0.639 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.5 | -44.8 | 171.5 | -69.9 | 168.9 | 0 | 0 | 0 | 110.7 | D1012 S1019 A1020 | D1012-L1016 WeakPolarHBondContact O-CB 3.34Å; D1012-L1016 VanDerWaalsContact O-CG 3.3Å; D1012-L1016 WeakPolarHBondContact O-CG 3.09Å; D1012-L1016 PolarHBondContact O-N 3.31Å; L1016-S1019 PolarHBondContact O-N 3.23Å; L1016-A1020 VanDerWaalsContact O-CB 3.31Å; L1016-A1020 WeakPolarHBondContact O-CB 3.22Å; L1016-A1020 PolarHBondContact O-N 2.95Å |
| 1017 | S | 84.8 | Confident | 82.7 | Confident | 54 Ų | 54 | 90.6 Ų | 90.6 | 38% | 0.378 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63 | -40.9 | 174.1 | -173.3 | 0 | 0 | 0 | 0 | 112.3 | A1013 K1021 | A1013-S1017 WeakPolarHBondContact O-CB 3.31Å; A1013-S1017 PolarHBondContact O-N 2.97Å; S1017-K1021 VanDerWaalsContact O-CB 3.32Å; S1017-K1021 WeakPolarHBondContact O-CB 3.29Å; S1017-K1021 WeakPolarHBondContact O-CG 3.43Å; S1017-K1021 PolarHBondContact O-N 2.88Å |
| 1018 | L | 84.1 | Confident | 82.8 | Confident | 92 Ų | 92 | 92.4 Ų | 92.4 | 48% | 0.482 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.5 | -37 | 174.1 | -78.1 | 169.1 | 0 | 0 | 0 | 111.8 | K1014 I1015 K1021 L1022 | K1014-L1018 HydrophobicContact CG-CD1 4.11Å; K1014-L1018 HydrophobicContact CG-CG 4.48Å; K1014-L1018 WeakPolarHBondContact O-CB 3.27Å; K1014-L1018 WeakPolarHBondContact O-CG 3.16Å; K1014-L1018 PolarHBondContact O-N 3.43Å; I1015-L1018 PolarHBondContact O-N 2.88Å; L1018-K1021 CarbonylContact O-C 3.56Å; L1018-K1021 PolarHBondContact O-N 3.39Å; L1018-L1022 WeakPolarHBondContact O-CB 3.46Å; L1018-L1022 PolarHBondContact O-N 2.92Å |
| 1019 | S | 84.6 | Confident | 83.1 | Confident | 66 Ų | 66 | 96.4 Ų | 96.4 | 46% | 0.462 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.6 | -44.8 | 176.3 | -60.2 | 0 | 0 | 0 | 0 | 110.9 | I1015 L1016 K1021 L1022 E1023 | I1015-S1019 VanDerWaalsContact O-CB 3.25Å; I1015-S1019 WeakPolarHBondContact O-CB 3.34Å; I1015-S1019 PolarHBondContact O-N 3.08Å; I1015-S1019 PolarHBondContact O-OG 3.45Å; L1016-S1019 PolarHBondContact O-N 3.23Å; S1019-K1021 PolarHBondContact O-N 2.93Å; S1019-L1022 PolarHBondContact O-N 3.46Å; S1019-L1022 VanDerWaalsContact O-N 3.15Å; S1019-E1023 WeakPolarHBondContact O-CB 3.44Å; S1019-E1023 PolarHBondContact O-N 3.03Å |
| 1020 | A | 82.7 | Confident | 83.2 | Confident | 49 Ų | 49 | 94.9 Ų | 94.9 | 41% | 0.405 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.4 | -21 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1016 R1024 | L1016-A1020 VanDerWaalsContact O-CB 3.31Å; L1016-A1020 WeakPolarHBondContact O-CB 3.22Å; L1016-A1020 PolarHBondContact O-N 2.95Å; A1020-R1024 WeakPolarHBondContact O-CB 3.44Å; A1020-R1024 WeakPolarHBondContact O-CG 3.26Å; A1020-R1024 PolarHBondContact O-N 3.13Å; A1020-R1024 PolarHBondContact O-NE 3.28Å |
| 1021 | K | 85.1 | Confident | 83.3 | Confident | 109 Ų | 109 | 94.8 Ų | 94.8 | 47% | 0.474 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -79.4 | -41 | 166.6 | -79.2 | 172.1 | -179.9 | -178.5 | 0 | 111.5 | S1017 L1018 S1019 R1024 C1025 | S1017-K1021 VanDerWaalsContact O-CB 3.32Å; S1017-K1021 WeakPolarHBondContact O-CB 3.29Å; S1017-K1021 WeakPolarHBondContact O-CG 3.43Å; S1017-K1021 PolarHBondContact O-N 2.88Å; L1018-K1021 CarbonylContact O-C 3.56Å; L1018-K1021 PolarHBondContact O-N 3.39Å; S1019-K1021 PolarHBondContact O-N 2.93Å; K1021-R1024 CarbonylContact O-C 3.53Å; K1021-R1024 WeakPolarHBondContact O-CB 3.44Å; K1021-R1024 PolarHBondContact O-N 3.47Å; K1021-C1025 WeakPolarHBondContact O-CB 3.49Å; K1021-C1025 PolarHBondContact O-N 2.87Å; K1021-C1025 PolarHBondContact O-SG 2.84Å |
| 1022 | L | 83 | Confident | 83.3 | Confident | 95 Ų | 95 | 93.3 Ų | 93.3 | 50% | 0.497 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.8 | -36.9 | -179.1 | -163.7 | 157.3 | 0 | 0 | 0 | 110.9 | L1018 S1019 C1025 R1026 | L1018-L1022 WeakPolarHBondContact O-CB 3.46Å; L1018-L1022 PolarHBondContact O-N 2.92Å; S1019-L1022 PolarHBondContact O-N 3.46Å; S1019-L1022 VanDerWaalsContact O-N 3.15Å; L1022-C1025 CarbonylContact O-C 3.56Å; L1022-C1025 PolarHBondContact O-N 3.27Å; L1022-R1026 HydrophobicContact CD2-CG 4.2Å; L1022-R1026 VanDerWaalsContact CD2-CZ 3.48Å; L1022-R1026 WeakPolarHBondContact O-CG 3.41Å; L1022-R1026 PolarHBondContact O-N 2.93Å |
| 1023 | E | 83 | Confident | 83.3 | Confident | 90 Ų | 90 | 91.8 Ų | 91.8 | 42% | 0.421 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -71.3 | -33.7 | 172.6 | -157.1 | 56.9 | -130.8 | 0 | 0 | 112.4 | S1019 R1026 T1027 | S1019-E1023 WeakPolarHBondContact O-CB 3.44Å; S1019-E1023 PolarHBondContact O-N 3.03Å; E1023-R1026 PolarHBondContact O-N 2.99Å; E1023-R1026 WeakPolarHBondContact OE2-CD 3.24Å; E1023-R1026 IonicContact OE2-CZ 2.73Å; E1023-R1026 IonicContact OE2-NE 2.73Å; E1023-R1026 IonicContact OE2-NH1 3.93Å; E1023-R1026 PolarHBondContact OE2-NH1 3.49Å; E1023-T1027 PolarHBondContact O-N 2.99Å; E1023-T1027 PolarHBondContact O-OG1 3.28Å |
| 1024 | R | 82.6 | Confident | 83.5 | Confident | 133 Ų | 133 | 95.3 Ų | 95.3 | 50% | 0.502 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 164.7 | -86.1 | 179.6 | -73.5 | -176.4 | -5.1 | 111.4 | A1020 K1021 R1026 T1027 E1028 | A1020-R1024 WeakPolarHBondContact O-CB 3.44Å; A1020-R1024 WeakPolarHBondContact O-CG 3.26Å; A1020-R1024 PolarHBondContact O-N 3.13Å; A1020-R1024 PolarHBondContact O-NE 3.28Å; K1021-R1024 CarbonylContact O-C 3.53Å; K1021-R1024 WeakPolarHBondContact O-CB 3.44Å; K1021-R1024 PolarHBondContact O-N 3.47Å; R1024-R1026 VanDerWaalsContact C-N 3.29Å; R1024-R1026 PolarHBondContact O-N 3.22Å; R1024-T1027 WeakPolarHBondContact CA-OG1 3.38Å; R1024-T1027 PolarHBondContact O-N 2.92Å; R1024-T1027 PolarHBondContact O-OG1 3.02Å; R1024-T1027 VanDerWaalsContact O-OG1 3.11Å; R1024-E1028 WeakPolarHBondContact O-CA 3.32Å; R1024-E1028 WeakPolarHBondContact O-CB 3.48Å; R1024-E1028 WeakPolarHBondContact O-CG 3.33Å; R1024-E1028 PolarHBondContact O-N 3.41Å |
| 1025 | C | 80.3 | Confident | 83.4 | Confident | 72 Ų | 72 | 97.3 Ų | 97.3 | 49% | 0.486 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.7 | -27 | 176.3 | -65.8 | 0 | 0 | 0 | 0 | 113 | K1021 L1022 K1029 | K1021-C1025 WeakPolarHBondContact O-CB 3.49Å; K1021-C1025 PolarHBondContact O-N 2.87Å; K1021-C1025 PolarHBondContact O-SG 2.84Å; L1022-C1025 CarbonylContact O-C 3.56Å; L1022-C1025 PolarHBondContact O-N 3.27Å; C1025-K1029 WeakPolarHBondContact O-CB 3.42Å; C1025-K1029 PolarHBondContact O-N 2.86Å |
| 1026 | R | 86.5 | Confident | 83.3 | Confident | 137 Ų | 137 | 98.3 Ų | 98.3 | 52% | 0.517 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.5 | -53.8 | 169.8 | -77.9 | 167 | 173.9 | 165.7 | -0.3 | 110.9 | L1022 E1023 R1024 E1028 K1029 D1030 | L1022-R1026 HydrophobicContact CD2-CG 4.2Å; L1022-R1026 VanDerWaalsContact CD2-CZ 3.48Å; L1022-R1026 WeakPolarHBondContact O-CG 3.41Å; L1022-R1026 PolarHBondContact O-N 2.93Å; E1023-R1026 PolarHBondContact O-N 2.99Å; E1023-R1026 WeakPolarHBondContact OE2-CD 3.24Å; E1023-R1026 IonicContact OE2-CZ 2.73Å; E1023-R1026 IonicContact OE2-NE 2.73Å; E1023-R1026 IonicContact OE2-NH1 3.93Å; E1023-R1026 PolarHBondContact OE2-NH1 3.49Å; R1024-R1026 VanDerWaalsContact C-N 3.29Å; R1024-R1026 PolarHBondContact O-N 3.22Å; R1026-E1028 VanDerWaalsContact C-N 3.35Å; R1026-E1028 PolarHBondContact O-N 3.46Å; R1026-K1029 CarbonylContact O-C 3.51Å; R1026-K1029 WeakPolarHBondContact O-CA 3.35Å; R1026-K1029 WeakPolarHBondContact O-CB 3.41Å; R1026-K1029 PolarHBondContact O-N 3.12Å; R1026-K1029 VanDerWaalsContact O-N 3.09Å; R1026-D1030 PolarHBondContact O-N 2.74Å |
| 1027 | T | 83.6 | Confident | 83.3 | Confident | 67 Ų | 67 | 99.8 Ų | 99.8 | 41% | 0.411 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.3 | -33 | 179.3 | 50.6 | 0 | 0 | 0 | 0 | 112.8 | E1023 R1024 N1031 | E1023-T1027 PolarHBondContact O-N 2.99Å; E1023-T1027 PolarHBondContact O-OG1 3.28Å; R1024-T1027 WeakPolarHBondContact CA-OG1 3.38Å; R1024-T1027 PolarHBondContact O-N 2.92Å; R1024-T1027 PolarHBondContact O-OG1 3.02Å; R1024-T1027 VanDerWaalsContact O-OG1 3.11Å; T1027-N1031 WeakPolarHBondContact O-CB 3.49Å; T1027-N1031 PolarHBondContact O-N 3.22Å; T1027-N1031 PolarHBondContact O-ND2 2.69Å |
| 1028 | E | 82.3 | Confident | 83 | Confident | 110 Ų | 110 | 101.2 Ų | 101.2 | 51% | 0.514 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67 | -41.5 | 167.7 | -74.8 | 170.1 | 177.6 | 0 | 0 | 111.3 | R1024 R1026 N1031 C1032 | R1024-E1028 WeakPolarHBondContact O-CA 3.32Å; R1024-E1028 WeakPolarHBondContact O-CB 3.48Å; R1024-E1028 WeakPolarHBondContact O-CG 3.33Å; R1024-E1028 PolarHBondContact O-N 3.41Å; R1026-E1028 VanDerWaalsContact C-N 3.35Å; R1026-E1028 PolarHBondContact O-N 3.46Å; E1028-N1031 CarbonylContact O-C 3.46Å; E1028-N1031 PolarHBondContact O-N 3.46Å; E1028-C1032 VanDerWaalsContact O-CB 3.23Å; E1028-C1032 WeakPolarHBondContact O-CB 3.36Å; E1028-C1032 PolarHBondContact O-N 2.72Å; E1028-C1032 PolarHBondContact O-SG 2.84Å |
| 1029 | K | 84.8 | Confident | 82.6 | Confident | 122 Ų | 122 | 100 Ų | 100 | 53% | 0.53 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.9 | -47 | 173.8 | -175.3 | -159.8 | 171 | -143.4 | 0 | 110.8 | C1025 R1026 N1031 C1032 D1033 | C1025-K1029 WeakPolarHBondContact O-CB 3.42Å; C1025-K1029 PolarHBondContact O-N 2.86Å; R1026-K1029 CarbonylContact O-C 3.51Å; R1026-K1029 WeakPolarHBondContact O-CA 3.35Å; R1026-K1029 WeakPolarHBondContact O-CB 3.41Å; R1026-K1029 PolarHBondContact O-N 3.12Å; R1026-K1029 VanDerWaalsContact O-N 3.09Å; K1029-N1031 VanDerWaalsContact C-N 3.3Å; K1029-N1031 PolarHBondContact O-N 3.42Å; K1029-C1032 CarbonylContact O-C 3.6Å; K1029-C1032 WeakPolarHBondContact O-CA 3.32Å; K1029-C1032 WeakPolarHBondContact O-CB 3.46Å; K1029-C1032 PolarHBondContact O-N 2.74Å; K1029-D1033 VanDerWaalsContact CE-OD2 3.27Å; K1029-D1033 WeakPolarHBondContact CE-OD2 3.37Å; K1029-D1033 IonicContact NZ-OD2 3.94Å; K1029-D1033 WeakPolarHBondContact O-CB 3.35Å; K1029-D1033 PolarHBondContact O-N 2.85Å |
| 1030 | D | 83.8 | Confident | 82.3 | Confident | 99 Ų | 99 | 99.4 Ų | 99.4 | 53% | 0.529 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.1 | -37.8 | 179.5 | -67.9 | -23.7 | 0 | 0 | 0 | 111.5 | R1026 K1034 | R1026-D1030 PolarHBondContact O-N 2.74Å; D1030-K1034 VanDerWaalsContact O-CB 3.31Å; D1030-K1034 WeakPolarHBondContact O-CB 3.39Å; D1030-K1034 PolarHBondContact O-N 3.46Å |
| 1031 | N | 85 | Confident | 81.9 | Confident | 94 Ų | 94 | 99.8 Ų | 99.8 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67 | -36.1 | 170.1 | -80.8 | -59.2 | 0 | 0 | 0 | 112.6 | T1027 E1028 K1029 R1035 | T1027-N1031 WeakPolarHBondContact O-CB 3.49Å; T1027-N1031 PolarHBondContact O-N 3.22Å; T1027-N1031 PolarHBondContact O-ND2 2.69Å; E1028-N1031 CarbonylContact O-C 3.46Å; E1028-N1031 PolarHBondContact O-N 3.46Å; K1029-N1031 VanDerWaalsContact C-N 3.3Å; K1029-N1031 PolarHBondContact O-N 3.42Å; N1031-R1035 WeakPolarHBondContact O-CB 3.43Å; N1031-R1035 VanDerWaalsContact O-CG 3.22Å; N1031-R1035 WeakPolarHBondContact O-CG 3.26Å; N1031-R1035 PolarHBondContact O-N 3.43Å |
| 1032 | C | 80.1 | Confident | 81.6 | Confident | 71 Ų | 71 | 103 Ų | 103 | 48% | 0.48 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.5 | -44 | 174.5 | -79.3 | 0 | 0 | 0 | 0 | 111.5 | E1028 K1029 K1034 R1035 L1036 | E1028-C1032 VanDerWaalsContact O-CB 3.23Å; E1028-C1032 WeakPolarHBondContact O-CB 3.36Å; E1028-C1032 PolarHBondContact O-N 2.72Å; E1028-C1032 PolarHBondContact O-SG 2.84Å; K1029-C1032 CarbonylContact O-C 3.6Å; K1029-C1032 WeakPolarHBondContact O-CA 3.32Å; K1029-C1032 WeakPolarHBondContact O-CB 3.46Å; K1029-C1032 PolarHBondContact O-N 2.74Å; C1032-K1034 VanDerWaalsContact C-N 3.27Å; C1032-K1034 PolarHBondContact O-N 3.43Å; C1032-R1035 CarbonylContact O-C 3.54Å; C1032-R1035 PolarHBondContact O-N 3.42Å; C1032-L1036 WeakPolarHBondContact O-CA 3.39Å; C1032-L1036 WeakPolarHBondContact O-CB 3.24Å; C1032-L1036 PolarHBondContact O-N 2.78Å |
| 1033 | D | 83.4 | Confident | 81.2 | Confident | 58 Ų | 58 | 102.1 Ų | 102.1 | 31% | 0.31 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.4 | -34.5 | 175.1 | -77.8 | -17 | 0 | 0 | 0 | 110.8 | K1029 K1037 | K1029-D1033 VanDerWaalsContact CE-OD2 3.27Å; K1029-D1033 WeakPolarHBondContact CE-OD2 3.37Å; K1029-D1033 IonicContact NZ-OD2 3.94Å; K1029-D1033 WeakPolarHBondContact O-CB 3.35Å; K1029-D1033 PolarHBondContact O-N 2.85Å; D1033-K1037 WeakPolarHBondContact O-CD 3.31Å; D1033-K1037 VanDerWaalsContact O-CG 3.28Å; D1033-K1037 WeakPolarHBondContact O-CG 3.22Å; D1033-K1037 PolarHBondContact O-N 3.45Å |
| 1034 | K | 84.4 | Confident | 81.1 | Confident | 134 Ų | 134 | 104.7 Ų | 104.7 | 58% | 0.583 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.2 | -51 | 169.5 | -169.8 | 175.4 | -177.4 | 179.1 | 0 | 111.6 | D1030 C1032 L1036 K1037 D1038 | D1030-K1034 VanDerWaalsContact O-CB 3.31Å; D1030-K1034 WeakPolarHBondContact O-CB 3.39Å; D1030-K1034 PolarHBondContact O-N 3.46Å; C1032-K1034 VanDerWaalsContact C-N 3.27Å; C1032-K1034 PolarHBondContact O-N 3.43Å; K1034-L1036 PolarHBondContact O-N 3.08Å; K1034-K1037 WeakPolarHBondContact O-CB 3.46Å; K1034-K1037 PolarHBondContact O-N 3.33Å; K1034-D1038 PolarHBondContact O-N 3.2Å |
| 1035 | R | 83.4 | Confident | 80.7 | Confident | 177 Ų | 177 | 102.7 Ų | 102.7 | 67% | 0.668 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64 | -24.5 | 175.1 | -70.6 | 173.4 | 87.4 | -179.5 | 8.1 | 112.8 | N1031 C1032 C1039 | N1031-R1035 WeakPolarHBondContact O-CB 3.43Å; N1031-R1035 VanDerWaalsContact O-CG 3.22Å; N1031-R1035 WeakPolarHBondContact O-CG 3.26Å; N1031-R1035 PolarHBondContact O-N 3.43Å; C1032-R1035 CarbonylContact O-C 3.54Å; C1032-R1035 PolarHBondContact O-N 3.42Å; R1035-C1039 WeakPolarHBondContact O-CB 3.42Å; R1035-C1039 PolarHBondContact O-N 3.24Å; R1035-C1039 PolarHBondContact O-SG 2.77Å |
| 1036 | L | 79 | Confident | 80.5 | Confident | 114 Ų | 114 | 101.4 Ų | 101.4 | 60% | 0.597 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -83.5 | -31.6 | 178.7 | -168.3 | 152.3 | 0 | 0 | 0 | 110.8 | C1032 K1034 S1040 | C1032-L1036 WeakPolarHBondContact O-CA 3.39Å; C1032-L1036 WeakPolarHBondContact O-CB 3.24Å; C1032-L1036 PolarHBondContact O-N 2.78Å; K1034-L1036 PolarHBondContact O-N 3.08Å; L1036-S1040 WeakPolarHBondContact O-CB 3.13Å; L1036-S1040 PolarHBondContact O-N 3.22Å |
| 1037 | K | 82.2 | Confident | 80 | Confident | 153 Ų | 153 | 99.4 Ų | 99.4 | 67% | 0.665 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.3 | -47.3 | 163.5 | -72.4 | 163.3 | -174.4 | 171 | 0 | 110.9 | D1033 K1034 C1039 S1040 A1041 | D1033-K1037 WeakPolarHBondContact O-CD 3.31Å; D1033-K1037 VanDerWaalsContact O-CG 3.28Å; D1033-K1037 WeakPolarHBondContact O-CG 3.22Å; D1033-K1037 PolarHBondContact O-N 3.45Å; K1034-K1037 WeakPolarHBondContact O-CB 3.46Å; K1034-K1037 PolarHBondContact O-N 3.33Å; K1037-C1039 PolarHBondContact O-N 2.79Å; K1037-S1040 WeakPolarHBondContact O-CB 3.2Å; K1037-S1040 PolarHBondContact O-N 2.99Å; K1037-A1041 PolarHBondContact O-N 2.83Å |
| 1038 | D | 78.9 | Confident | 79.5 | Confident | 84 Ų | 84 | 99 Ų | 99 | 45% | 0.449 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 175.1 | -67 | -19.7 | 0 | 0 | 0 | 112 | K1034 A1041 R1042 | K1034-D1038 PolarHBondContact O-N 3.2Å; D1038-A1041 PolarHBondContact O-N 3.48Å; D1038-R1042 WeakPolarHBondContact O-CG 3.41Å; D1038-R1042 PolarHBondContact O-N 3.31Å |
| 1039 | C | 75 | Confident | 79.3 | Confident | 67 Ų | 67 | 100.3 Ų | 100.3 | 45% | 0.453 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70 | -28.2 | 175.3 | -79.4 | 0 | 0 | 0 | 0 | 112.7 | R1035 K1037 R1042 N1043 | R1035-C1039 WeakPolarHBondContact O-CB 3.42Å; R1035-C1039 PolarHBondContact O-N 3.24Å; R1035-C1039 PolarHBondContact O-SG 2.77Å; K1037-C1039 PolarHBondContact O-N 2.79Å; C1039-R1042 PolarHBondContact O-N 3.41Å; C1039-N1043 WeakPolarHBondContact O-CA 2.99Å; C1039-N1043 WeakPolarHBondContact O-CB 3.47Å; C1039-N1043 PolarHBondContact O-N 3.3Å |
| 1040 | S | 79.2 | Confident | 78.5 | Confident | 52 Ų | 52 | 97.1 Ų | 97.1 | 36% | 0.364 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.1 | -41.5 | 171.6 | -174.4 | 0 | 0 | 0 | 0 | 110.9 | L1036 K1037 N1043 K1044 | L1036-S1040 WeakPolarHBondContact O-CB 3.13Å; L1036-S1040 PolarHBondContact O-N 3.22Å; K1037-S1040 WeakPolarHBondContact O-CB 3.2Å; K1037-S1040 PolarHBondContact O-N 2.99Å; S1040-N1043 PolarHBondContact O-N 3.27Å; S1040-K1044 WeakPolarHBondContact O-CG 3.38Å; S1040-K1044 PolarHBondContact O-N 2.98Å |
| 1041 | A | 74.8 | Confident | 78.3 | Confident | 58 Ų | 58 | 98.5 Ų | 98.5 | 48% | 0.479 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K1037 D1038 T1045 | K1037-A1041 PolarHBondContact O-N 2.83Å; D1038-A1041 PolarHBondContact O-N 3.48Å; A1041-T1045 PolarHBondContact O-N 3.41Å; A1041-T1045 PolarHBondContact O-OG1 3.04Å |
| 1042 | R | 78.8 | Confident | 77.7 | Confident | 175 Ų | 175 | 101.3 Ų | 101.3 | 66% | 0.66 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.9 | -37.6 | 173.8 | -67.3 | 174.4 | -168.5 | -174.3 | 4 | 112.7 | D1038 C1039 T1045 A1046 | D1038-R1042 WeakPolarHBondContact O-CG 3.41Å; D1038-R1042 PolarHBondContact O-N 3.31Å; C1039-R1042 PolarHBondContact O-N 3.41Å; R1042-T1045 CarbonylContact O-C 3.53Å; R1042-T1045 WeakPolarHBondContact O-CA 3.39Å; R1042-T1045 VanDerWaalsContact O-CB 3.28Å; R1042-T1045 WeakPolarHBondContact O-CB 3.45Å; R1042-T1045 PolarHBondContact O-N 3.4Å; R1042-T1045 VanDerWaalsContact O-N 3.11Å; R1042-A1046 WeakPolarHBondContact O-CB 3.4Å; R1042-A1046 PolarHBondContact O-N 2.84Å |
| 1043 | N | 74.7 | Confident | 77.5 | Confident | 78 Ų | 78 | 103 Ų | 103 | 42% | 0.417 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.6 | -42.3 | -178.4 | -173.5 | 56.3 | 0 | 0 | 0 | 111.1 | C1039 S1040 T1045 A1046 E1047 | C1039-N1043 WeakPolarHBondContact O-CA 2.99Å; C1039-N1043 WeakPolarHBondContact O-CB 3.47Å; C1039-N1043 PolarHBondContact O-N 3.3Å; S1040-N1043 PolarHBondContact O-N 3.27Å; N1043-T1045 PolarHBondContact O-N 3.26Å; N1043-A1046 CarbonylContact O-C 3.5Å; N1043-A1046 WeakPolarHBondContact O-CA 3.28Å; N1043-A1046 WeakPolarHBondContact O-CB 3.31Å; N1043-A1046 PolarHBondContact O-N 2.66Å; N1043-E1047 VanDerWaalsContact ND2-CD 3.28Å; N1043-E1047 PolarHBondContact ND2-OE1 3.44Å; N1043-E1047 WeakPolarHBondContact O-CG 3.31Å; N1043-E1047 PolarHBondContact O-N 3.02Å |
| 1044 | K | 79.6 | Confident | 77.1 | Confident | 143 Ų | 143 | 104.8 Ų | 104.8 | 62% | 0.622 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -56.7 | -33.4 | 169 | -69.5 | 174.8 | -176.8 | -176.2 | 0 | 112.3 | S1040 A1046 E1047 | S1040-K1044 WeakPolarHBondContact O-CG 3.38Å; S1040-K1044 PolarHBondContact O-N 2.98Å; K1044-A1046 VanDerWaalsContact C-N 3.34Å; K1044-E1047 WeakPolarHBondContact CA-OE2 3.46Å |
| 1045 | T | 75.4 | Confident | 76.7 | Confident | 91 Ų | 91 | 103.7 Ų | 103.7 | 56% | 0.558 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -77.3 | -17.8 | 174.3 | -44.4 | 0 | 0 | 0 | 0 | 113.2 | A1041 R1042 N1043 | A1041-T1045 PolarHBondContact O-N 3.41Å; A1041-T1045 PolarHBondContact O-OG1 3.04Å; R1042-T1045 CarbonylContact O-C 3.53Å; R1042-T1045 WeakPolarHBondContact O-CA 3.39Å; R1042-T1045 VanDerWaalsContact O-CB 3.28Å; R1042-T1045 WeakPolarHBondContact O-CB 3.45Å; R1042-T1045 PolarHBondContact O-N 3.4Å; R1042-T1045 VanDerWaalsContact O-N 3.11Å; N1043-T1045 PolarHBondContact O-N 3.26Å |
| 1046 | A | 75.2 | Confident | 76.4 | Confident | 45 Ų | 45 | 100 Ų | 100 | 37% | 0.372 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -98.2 | -36.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R1042 N1043 K1044 A1048 K1049 A1050 | R1042-A1046 WeakPolarHBondContact O-CB 3.4Å; R1042-A1046 PolarHBondContact O-N 2.84Å; N1043-A1046 CarbonylContact O-C 3.5Å; N1043-A1046 WeakPolarHBondContact O-CA 3.28Å; N1043-A1046 WeakPolarHBondContact O-CB 3.31Å; N1043-A1046 PolarHBondContact O-N 2.66Å; K1044-A1046 VanDerWaalsContact C-N 3.34Å; A1046-A1048 VanDerWaalsContact C-N 3.26Å; A1046-A1048 PolarHBondContact O-N 3.29Å; A1046-K1049 CarbonylContact O-C 3.59Å; A1046-K1049 WeakPolarHBondContact O-CA 3.45Å; A1046-K1049 WeakPolarHBondContact O-CB 3.49Å; A1046-K1049 PolarHBondContact O-N 2.87Å; A1046-A1050 PolarHBondContact O-N 3.42Å |
| 1047 | E | 76.7 | Confident | 76.1 | Confident | 96 Ų | 96 | 98.7 Ų | 98.7 | 45% | 0.449 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -55.5 | -43.7 | 169.5 | -72.2 | 165.1 | 163.1 | 0 | 0 | 110.3 | N1043 K1044 K1049 A1050 L1051 | N1043-E1047 VanDerWaalsContact ND2-CD 3.28Å; N1043-E1047 PolarHBondContact ND2-OE1 3.44Å; N1043-E1047 WeakPolarHBondContact O-CG 3.31Å; N1043-E1047 PolarHBondContact O-N 3.02Å; K1044-E1047 WeakPolarHBondContact CA-OE2 3.46Å; E1047-K1049 PolarHBondContact O-N 3.1Å; E1047-A1050 PolarHBondContact O-N 2.92Å; E1047-A1050 VanDerWaalsContact O-N 3.17Å; E1047-L1051 WeakPolarHBondContact O-CB 3.35Å; E1047-L1051 PolarHBondContact O-N 3.31Å |
| 1048 | A | 72 | Confident | 76 | Confident | 58 Ų | 58 | 96 Ų | 96 | 48% | 0.479 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.3 | -8.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | A1046 K1052 | A1046-A1048 VanDerWaalsContact C-N 3.26Å; A1046-A1048 PolarHBondContact O-N 3.29Å; A1048-K1052 WeakPolarHBondContact O-CE 3.48Å |
| 1049 | K | 78.4 | Confident | 75.9 | Confident | 137 Ų | 137 | 98.2 Ų | 98.2 | 60% | 0.596 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -107.4 | -38.9 | 170 | -60.6 | 179.5 | -178.3 | -178.1 | 0 | 112 | A1046 E1047 L1051 K1052 L1053 | A1046-K1049 CarbonylContact O-C 3.59Å; A1046-K1049 WeakPolarHBondContact O-CA 3.45Å; A1046-K1049 WeakPolarHBondContact O-CB 3.49Å; A1046-K1049 PolarHBondContact O-N 2.87Å; E1047-K1049 PolarHBondContact O-N 3.1Å; K1049-L1051 VanDerWaalsContact C-N 3.34Å; K1049-L1051 PolarHBondContact O-N 3.44Å; K1049-K1052 WeakPolarHBondContact O-CA 3.39Å; K1049-K1052 VanDerWaalsContact O-CB 3.31Å; K1049-K1052 WeakPolarHBondContact O-CB 3.29Å; K1049-K1052 PolarHBondContact O-N 2.93Å; K1049-L1053 PolarHBondContact O-N 3.02Å |
| 1050 | A | 68.4 | Low | 76.2 | Confident | 55 Ų | 55 | 100 Ų | 100 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.9 | -38.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1046 E1047 K1052 L1053 Q1054 | A1046-A1050 PolarHBondContact O-N 3.42Å; E1047-A1050 PolarHBondContact O-N 2.92Å; E1047-A1050 VanDerWaalsContact O-N 3.17Å; A1050-K1052 PolarHBondContact O-N 2.86Å; A1050-K1052 VanDerWaalsContact O-N 3.11Å; A1050-L1053 PolarHBondContact O-N 3.47Å; A1050-Q1054 PolarHBondContact O-N 2.87Å |
| 1051 | L | 79.2 | Confident | 76 | Confident | 128 Ų | 128 | 101.9 Ų | 101.9 | 67% | 0.67 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -18.2 | 170.1 | -98 | 160.3 | 0 | 0 | 0 | 114 | E1047 K1049 | E1047-L1051 WeakPolarHBondContact O-CB 3.35Å; E1047-L1051 PolarHBondContact O-N 3.31Å; K1049-L1051 VanDerWaalsContact C-N 3.34Å; K1049-L1051 PolarHBondContact O-N 3.44Å |
| 1052 | K | 73.2 | Confident | 75.9 | Confident | 154 Ų | 154 | 102.6 Ų | 102.6 | 67% | 0.67 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -13.8 | 173.3 | -52.7 | -174.2 | 179.7 | -173.6 | 0 | 113 | A1048 K1049 A1050 | A1048-K1052 WeakPolarHBondContact O-CE 3.48Å; K1049-K1052 WeakPolarHBondContact O-CA 3.39Å; K1049-K1052 VanDerWaalsContact O-CB 3.31Å; K1049-K1052 WeakPolarHBondContact O-CB 3.29Å; K1049-K1052 PolarHBondContact O-N 2.93Å; A1050-K1052 PolarHBondContact O-N 2.86Å; A1050-K1052 VanDerWaalsContact O-N 3.11Å |
| 1053 | L | 75.7 | Confident | 76 | Confident | 106 Ų | 106 | 100.1 Ų | 100.1 | 56% | 0.555 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -34.9 | -179.9 | -68.1 | 175.1 | 0 | 0 | 0 | 112.8 | K1049 A1050 N1055 I1056 I1057 | K1049-L1053 PolarHBondContact O-N 3.02Å; A1050-L1053 PolarHBondContact O-N 3.47Å; L1053-N1055 VanDerWaalsContact C-N 3.27Å; L1053-N1055 PolarHBondContact O-N 2.92Å; L1053-I1056 HydrophobicContact CD2-CD1 4.24Å; L1053-I1056 WeakPolarHBondContact O-CB 3.49Å; L1053-I1056 PolarHBondContact O-N 3.36Å; L1053-I1057 PolarHBondContact O-N 3.38Å |
| 1054 | Q | 75.4 | Confident | 76.1 | Confident | 95 Ų | 95 | 104.2 Ų | 104.2 | 44% | 0.444 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -55.7 | -45.3 | 178.8 | -176.1 | 59.5 | 43.3 | 0 | 0 | 111.5 | A1050 I1056 I1057 D1058 | A1050-Q1054 PolarHBondContact O-N 2.87Å; Q1054-I1056 PolarHBondContact O-N 3.42Å; Q1054-I1057 PolarHBondContact O-N 2.98Å; Q1054-D1058 PolarHBondContact NE2-OD1 3.39Å; Q1054-D1058 PolarHBondContact O-N 2.93Å |
| 1055 | N | 76 | Confident | 75.9 | Confident | 111 Ų | 111 | 104.3 Ų | 104.3 | 59% | 0.594 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -58.6 | -7.3 | 177.4 | -57.4 | -1.4 | 0 | 0 | 0 | 114.5 | L1053 | L1053-N1055 VanDerWaalsContact C-N 3.27Å; L1053-N1055 PolarHBondContact O-N 2.92Å |
| 1056 | I | 76.7 | Confident | 76.1 | Confident | 100 Ų | 100 | 105.5 Ų | 105.5 | 51% | 0.513 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -100.7 | -31.5 | 175.8 | -51 | 178.8 | 0 | 0 | 0 | 111 | L1053 Q1054 | L1053-I1056 HydrophobicContact CD2-CD1 4.24Å; L1053-I1056 WeakPolarHBondContact O-CB 3.49Å; L1053-I1056 PolarHBondContact O-N 3.36Å; Q1054-I1056 PolarHBondContact O-N 3.42Å |
| 1057 | I | 73.2 | Confident | 76.3 | Confident | 87 Ų | 87 | 110.4 Ų | 110.4 | 45% | 0.446 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -74.5 | -33.8 | -176.8 | -66.1 | 174.8 | 0 | 0 | 0 | 111.7 | L1053 Q1054 L1059 L1060 T1061 | L1053-I1057 PolarHBondContact O-N 3.38Å; Q1054-I1057 PolarHBondContact O-N 2.98Å; I1057-L1059 PolarHBondContact O-N 3.45Å; I1057-L1060 PolarHBondContact O-N 3.24Å; I1057-L1060 VanDerWaalsContact O-N 3.08Å; I1057-T1061 PolarHBondContact O-N 3.14Å; I1057-T1061 PolarHBondContact O-OG1 3.44Å |
| 1058 | D | 79.4 | Confident | 76.2 | Confident | 96 Ų | 96 | 109 Ų | 109 | 51% | 0.513 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.9 | -25.9 | -178.1 | -58.9 | -28.7 | 0 | 0 | 0 | 112.2 | Q1054 | Q1054-D1058 PolarHBondContact NE2-OD1 3.39Å; Q1054-D1058 PolarHBondContact O-N 2.93Å |
| 1059 | L | 77.8 | Confident | 76.4 | Confident | 130 Ų | 130 | 113 Ų | 113 | 68% | 0.681 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.6 | -48.3 | 170.6 | -85.3 | 91.9 | 0 | 0 | 0 | 112.7 | I1057 T1061 | I1057-L1059 PolarHBondContact O-N 3.45Å; L1059-T1061 VanDerWaalsContact C-N 3.3Å; L1059-T1061 PolarHBondContact O-N 3.38Å |
| 1060 | L | 80.5 | Confident | 76.4 | Confident | 104 Ų | 104 | 112.4 Ų | 112.4 | 55% | 0.545 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -69.5 | -27.7 | -171.2 | -64.8 | 173 | 0 | 0 | 0 | 112.9 | I1057 A1062 E1063 | I1057-L1060 PolarHBondContact O-N 3.24Å; I1057-L1060 VanDerWaalsContact O-N 3.08Å; L1060-A1062 PolarHBondContact O-N 2.69Å; L1060-E1063 PolarHBondContact O-N 2.9Å |
| 1061 | T | 75.4 | Confident | 76.6 | Confident | 93 Ų | 93 | 112.6 Ų | 112.6 | 57% | 0.571 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.8 | -28.3 | -175.9 | -57.2 | 0 | 0 | 0 | 0 | 112.3 | I1057 L1059 E1063 | I1057-T1061 PolarHBondContact O-N 3.14Å; I1057-T1061 PolarHBondContact O-OG1 3.44Å; L1059-T1061 VanDerWaalsContact C-N 3.3Å; L1059-T1061 PolarHBondContact O-N 3.38Å; T1061-E1063 VanDerWaalsContact C-N 3.32Å; T1061-E1063 PolarHBondContact O-N 3.39Å |
| 1062 | A | 73.5 | Confident | 76.6 | Confident | 73 Ų | 73 | 113.9 Ų | 113.9 | 60% | 0.603 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.1 | -32 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1060 | L1060-A1062 PolarHBondContact O-N 2.69Å |
| 1063 | E | 79.4 | Confident | 76.9 | Confident | 123 Ų | 123 | 114.1 Ų | 114.1 | 58% | 0.575 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -70.4 | -37 | -175.4 | -56.3 | -175.8 | 137.6 | 0 | 0 | 112.2 | L1060 T1061 H1065 | L1060-E1063 PolarHBondContact O-N 2.9Å; T1061-E1063 VanDerWaalsContact C-N 3.32Å; T1061-E1063 PolarHBondContact O-N 3.39Å; E1063-H1065 VanDerWaalsContact C-N 3.28Å; E1063-H1065 PolarHBondContact O-N 3.41Å |
| 1064 | K | 76.8 | Confident | 77.1 | Confident | 163 Ų | 163 | 115 Ų | 115 | 71% | 0.709 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -60.3 | -34.7 | -175.4 | 179.9 | -178.3 | 173.8 | -173.8 | 0 | 113.3 | N1066 F1067 | K1064-N1066 PolarHBondContact O-N 3.45Å; K1064-F1067 PolarHBondContact O-N 2.82Å |
| 1065 | H | 76.5 | Confident | 77.2 | Confident | 146 Ų | 146 | 120.4 Ų | 120.4 | 68% | 0.676 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -66.5 | -25.7 | -165.6 | -143.2 | -54.8 | 0 | 0 | 0 | 113.2 | E1063 | E1063-H1065 VanDerWaalsContact C-N 3.28Å; E1063-H1065 PolarHBondContact O-N 3.41Å |
| 1066 | N | 77.9 | Confident | 77.4 | Confident | 116 Ų | 116 | 124.2 Ų | 124.2 | 62% | 0.62 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -66.8 | -36.6 | 179.3 | -62.5 | -37.2 | 0 | 0 | 0 | 113.2 | K1064 A1068 | K1064-N1066 PolarHBondContact O-N 3.45Å; N1066-A1068 PolarHBondContact O-N 3.05Å |
| 1067 | F | 80.1 | Confident | 77.3 | Confident | 147 Ų | 147 | 126.4 Ų | 126.4 | 65% | 0.645 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -69.1 | -19.2 | -175.1 | -68.3 | -66.2 | 0 | 0 | 0 | 114 | K1064 E1069 | K1064-F1067 PolarHBondContact O-N 2.82Å; F1067-E1069 PolarHBondContact O-N 3.35Å |
| 1068 | A | 74.1 | Confident | 77.4 | Confident | 67 Ų | 67 | 128.6 Ų | 128.6 | 55% | 0.554 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -70 | -32.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113 | N1066 E1070 | N1066-A1068 PolarHBondContact O-N 3.05Å; A1068-E1070 VanDerWaalsContact C-N 3.33Å; A1068-E1070 PolarHBondContact O-N 3.41Å |
| 1069 | E | 77.3 | Confident | 77.4 | Confident | 142 Ų | 142 | 129.5 Ų | 129.5 | 66% | 0.664 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -23.4 | -175 | -58.1 | -168.7 | 158.7 | 0 | 0 | 113.1 | F1067 | F1067-E1069 PolarHBondContact O-N 3.35Š|
| 1070 | E | 78.8 | Confident | 77.2 | Confident | 125 Ų | 125 | 129.3 Ų | 129.3 | 58% | 0.584 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -70.5 | -42.1 | 179.2 | -58.5 | -165.9 | 120 | 0 | 0 | 111.9 | A1068 Q1072 K1073 | A1068-E1070 VanDerWaalsContact C-N 3.33Å; A1068-E1070 PolarHBondContact O-N 3.41Å; E1070-Q1072 PolarHBondContact O-N 3.44Å; E1070-Q1072 VanDerWaalsContact O-N 3.15Å; E1070-K1073 PolarHBondContact O-N 3.42Å |
| 1071 | A | 72.5 | Confident | 76.8 | Confident | 58 Ų | 58 | 128.4 Ų | 128.4 | 48% | 0.479 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -64 | -22.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1072 | Q | 77.9 | Confident | 76.9 | Confident | 155 Ų | 155 | 130 Ų | 130 | 72% | 0.724 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -73.3 | -30.2 | -179.8 | -167.6 | 168.6 | -1.7 | 0 | 0 | 112.5 | E1070 L1074 | E1070-Q1072 PolarHBondContact O-N 3.44Å; E1070-Q1072 VanDerWaalsContact O-N 3.15Å; Q1072-L1074 PolarHBondContact O-N 2.82Å |
| 1073 | K | 80.6 | Confident | 76.9 | Confident | 159 Ų | 159 | 133.8 Ų | 133.8 | 69% | 0.691 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -67.6 | -36.4 | -177.1 | -66 | 170.4 | -176 | 164.3 | 0 | 112.8 | E1070 R1075 | E1070-K1073 PolarHBondContact O-N 3.42Å; K1073-R1075 VanDerWaalsContact C-N 3.32Å; K1073-R1075 PolarHBondContact O-N 3.27Å |
| 1074 | L | 78.2 | Confident | 76.4 | Confident | 124 Ų | 124 | 135.3 Ų | 135.3 | 65% | 0.649 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -64.1 | -32.4 | -175.3 | -72.5 | 167.7 | 0 | 0 | 0 | 113.5 | Q1072 Y1076 Q1077 | Q1072-L1074 PolarHBondContact O-N 2.82Å; L1074-Y1076 VanDerWaalsContact C-N 3.25Å; L1074-Y1076 PolarHBondContact O-N 2.98Å; L1074-Q1077 PolarHBondContact O-N 2.9Å |
| 1075 | R | 79.2 | Confident | 76.1 | Confident | 209 Ų | 209 | 136.7 Ų | 136.7 | 79% | 0.789 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -65.6 | -26.1 | -173.9 | -63.9 | -176.5 | -176.6 | -116.5 | 0.6 | 113.7 | K1073 Q1077 | K1073-R1075 VanDerWaalsContact C-N 3.32Å; K1073-R1075 PolarHBondContact O-N 3.27Å; R1075-Q1077 PolarHBondContact O-N 3.45Å |
| 1076 | Y | 79.8 | Confident | 75.9 | Confident | 192 Ų | 192 | 136.5 Ų | 136.5 | 75% | 0.753 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -70.7 | -27.5 | -176.1 | -176.6 | -105.4 | 0 | 0 | 0 | 113.6 | L1074 L1078 | L1074-Y1076 VanDerWaalsContact C-N 3.25Å; L1074-Y1076 PolarHBondContact O-N 2.98Å; Y1076-L1078 VanDerWaalsContact C-N 3.35Å; Y1076-L1078 PolarHBondContact O-N 3.18Å |
| 1077 | Q | 73.9 | Confident | 75.5 | Confident | 146 Ų | 146 | 137 Ų | 137 | 68% | 0.682 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -73.8 | -23.2 | -175.2 | -69.8 | -177.3 | -22.7 | 0 | 0 | 113.9 | L1074 R1075 E1079 | L1074-Q1077 PolarHBondContact O-N 2.9Å; R1075-Q1077 PolarHBondContact O-N 3.45Å; Q1077-E1079 PolarHBondContact O-N 3.16Å |
| 1078 | L | 75.8 | Confident | 74.8 | Confident | 132 Ų | 132 | 137.2 Ų | 137.2 | 69% | 0.691 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -69.8 | -35.1 | -170.9 | -171.3 | 66.1 | 0 | 0 | 0 | 113.4 | Y1076 L1080 S1081 | Y1076-L1078 VanDerWaalsContact C-N 3.35Å; Y1076-L1078 PolarHBondContact O-N 3.18Å; L1078-L1080 VanDerWaalsContact C-N 3.34Å; L1078-L1080 PolarHBondContact O-N 3.23Å; L1078-S1081 PolarHBondContact O-N 3.02Å |
| 1079 | E | 79.1 | Confident | 74.5 | Confident | 116 Ų | 116 | 143.8 Ų | 143.8 | 54% | 0.542 | 67% | 0.67 | S | S | . | * | G | 310 helix | trans | -70.2 | -29.8 | -168.6 | -159.8 | 60.9 | -159.3 | 0 | 0 | 113.3 | Q1077 S1081 K1082 | Q1077-E1079 PolarHBondContact O-N 3.16Å; E1079-S1081 PolarHBondContact O-N 3.02Å; E1079-K1082 PolarHBondContact O-N 2.88Å; E1079-K1082 WeakPolarHBondContact OE1-CD 3.28Å; E1079-K1082 IonicContact OE1-NZ 2.72Å; E1079-K1082 PolarHBondContact OE1-NZ 3.36Å; E1079-K1082 IonicContact OE2-NZ 3.13Å; E1079-K1082 PolarHBondContact OE2-NZ 3.4Å |
| 1080 | L | 73.7 | Confident | 74 | Confident | 126 Ų | 126 | 145.1 Ų | 145.1 | 66% | 0.66 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -60.7 | -24.2 | 177.1 | -85.7 | 161.8 | 0 | 0 | 0 | 113.6 | L1078 | L1078-L1080 VanDerWaalsContact C-N 3.34Å; L1078-L1080 PolarHBondContact O-N 3.23Å |
| 1081 | S | 72.2 | Confident | 73.3 | Confident | 85 Ų | 85 | 142.6 Ų | 142.6 | 59% | 0.594 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -72.9 | -29.2 | -174.5 | -172.6 | 0 | 0 | 0 | 0 | 113.5 | L1078 E1079 Q1083 | L1078-S1081 PolarHBondContact O-N 3.02Å; E1079-S1081 PolarHBondContact O-N 3.02Å; S1081-Q1083 PolarHBondContact O-N 2.81Å |
| 1082 | K | 78 | Confident | 72.7 | Confident | 125 Ų | 125 | 150.2 Ų | 150.2 | 54% | 0.543 | 69% | 0.69 | S | S | . | * | G | 310 helix | trans | -65.1 | -37.4 | -173.9 | -69.1 | 167 | 173.9 | 165 | 0 | 113.1 | E1079 Q1084 Y1085 | E1079-K1082 PolarHBondContact O-N 2.88Å; E1079-K1082 WeakPolarHBondContact OE1-CD 3.28Å; E1079-K1082 IonicContact OE1-NZ 2.72Å; E1079-K1082 PolarHBondContact OE1-NZ 3.36Å; E1079-K1082 IonicContact OE2-NZ 3.13Å; E1079-K1082 PolarHBondContact OE2-NZ 3.4Å; K1082-Q1084 PolarHBondContact O-N 2.81Å; K1082-Y1085 PolarHBondContact O-N 3.4Å |
| 1083 | Q | 72.5 | Confident | 72.2 | Confident | 154 Ų | 154 | 151.8 Ų | 151.8 | 72% | 0.72 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -70.3 | -8.4 | -164.1 | -147.8 | 174.1 | 26.8 | 0 | 0 | 114.7 | S1081 | S1081-Q1083 PolarHBondContact O-N 2.81Š|
| 1084 | Q | 69.6 | Low | 71.4 | Confident | 154 Ų | 154 | 152.1 Ų | 152.1 | 72% | 0.72 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -81.6 | -27.4 | 179.1 | -65.9 | -175.8 | -23.7 | 0 | 0 | 113.2 | K1082 E1086 | K1082-Q1084 PolarHBondContact O-N 2.81Å; Q1084-E1086 PolarHBondContact O-N 3.2Å |
| 1085 | Y | 70.1 | Confident | 70.9 | Confident | 192 Ų | 192 | 152.8 Ų | 152.8 | 75% | 0.753 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -73.4 | -23.6 | -167.7 | -147.2 | -97.1 | 0 | 0 | 0 | 114.2 | K1082 N1087 | K1082-Y1085 PolarHBondContact O-N 3.4Å; Y1085-N1087 VanDerWaalsContact C-N 3.29Å; Y1085-N1087 PolarHBondContact O-N 2.78Å |
| 1086 | E | 72 | Confident | 70 | Confident | 143 Ų | 143 | 149.6 Ų | 149.6 | 67% | 0.668 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -62.1 | -30.8 | -177 | -123.4 | 74.6 | -123.8 | 0 | 0 | 114 | Q1084 | Q1084-E1086 PolarHBondContact O-N 3.2Š|
| 1087 | N | 69.8 | Low | 69.2 | Low | 126 Ų | 126 | 147.4 Ų | 147.4 | 67% | 0.674 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -74.7 | -31.1 | -165.6 | -68 | -63.5 | 0 | 0 | 0 | 114.1 | Y1085 R1089 | Y1085-N1087 VanDerWaalsContact C-N 3.29Å; Y1085-N1087 PolarHBondContact O-N 2.78Å; N1087-R1089 VanDerWaalsContact C-N 3.25Å; N1087-R1089 PolarHBondContact O-N 2.74Å |
| 1088 | E | 65.2 | Low | 68.4 | Low | 151 Ų | 151 | 148.4 Ų | 148.4 | 71% | 0.706 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -68.7 | -24.7 | -171.9 | -169 | 171 | -165.5 | 0 | 0 | 112.9 | K1090 | E1088-K1090 PolarHBondContact O-N 3.16Š|
| 1089 | R | 67.8 | Low | 67.5 | Low | 206 Ų | 206 | 147 Ų | 147 | 78% | 0.777 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -66.5 | -10.3 | -173.9 | -149.3 | 171.3 | -172 | 162.6 | 1.7 | 114.5 | N1087 | N1087-R1089 VanDerWaalsContact C-N 3.25Å; N1087-R1089 PolarHBondContact O-N 2.74Å |
| 1090 | K | 68.2 | Low | 66.6 | Low | 169 Ų | 169 | 144.9 Ų | 144.9 | 74% | 0.735 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -82.7 | -25.5 | -170.6 | -148.8 | 174.3 | -174.1 | -179.7 | 0 | 114.4 | E1088 R1092 | E1088-K1090 PolarHBondContact O-N 3.16Å; K1090-R1092 PolarHBondContact O-N 2.73Å |
| 1091 | A | 64 | Low | 66 | Low | 72 Ų | 72 | 147 Ų | 147 | 60% | 0.595 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -79 | -8.5 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | R1093 | A1091-R1093 PolarHBondContact O-N 2.88Š|
| 1092 | R | 59.6 | Low | 65.3 | Low | 219 Ų | 219 | 150.3 Ų | 150.3 | 83% | 0.826 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -79.8 | -5.3 | -169.3 | -67 | -170.9 | -178.5 | -175.5 | 0.7 | 116.1 | K1090 | K1090-R1092 PolarHBondContact O-N 2.73Š|
| 1093 | R | 66.4 | Low | 64.4 | Low | 188 Ų | 188 | 151.6 Ų | 151.6 | 71% | 0.709 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -86.4 | -18.6 | -172.3 | -58.9 | -177.5 | -166.1 | 160.2 | 2.7 | 114.5 | A1091 F1095 | A1091-R1093 PolarHBondContact O-N 2.88Å; R1093-F1095 PolarHBondContact O-N 3.23Å |
| 1094 | E | 64.2 | Low | 64 | Low | 166 Ų | 166 | 149 Ų | 149 | 78% | 0.776 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | 22.6 | -174.6 | -58.5 | 174.2 | 173.3 | 0 | 0 | 113.4 | ||
| 1095 | F | 67.3 | Low | 63.6 | Low | 138 Ų | 138 | 148.7 Ų | 148.7 | 61% | 0.605 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.2 | -32.4 | -175.7 | -171.6 | -95.1 | 0 | 0 | 0 | 113.2 | R1093 D1097 | R1093-F1095 PolarHBondContact O-N 3.23Å; F1095-D1097 PolarHBondContact O-N 3.42Å |
| 1096 | E | 61.3 | Low | 63.2 | Low | 142 Ų | 142 | 146 Ų | 146 | 66% | 0.664 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -75.2 | -24.8 | -164.6 | -63.8 | 173.2 | 138.8 | 0 | 0 | 113.5 | R1098 C1099 | E1096-R1098 PolarHBondContact O-N 2.74Å; E1096-C1099 PolarHBondContact O-N 3.26Å |
| 1097 | D | 61.5 | Low | 62.8 | Low | 146 Ų | 146 | 145.9 Ų | 145.9 | 78% | 0.781 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -59.6 | -15.2 | -179.9 | -64.1 | -45.4 | 0 | 0 | 0 | 114.6 | F1095 C1099 | F1095-D1097 PolarHBondContact O-N 3.42Å; D1097-C1099 VanDerWaalsContact C-N 3.31Å; D1097-C1099 PolarHBondContact O-N 2.99Å |
| 1098 | R | 59.1 | Low | 62.3 | Low | 166 Ų | 166 | 147 Ų | 147 | 63% | 0.626 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -75.8 | -9.7 | -178.8 | -88.9 | 175.6 | -84.4 | -169 | -15.4 | 115.1 | E1096 | E1096-R1098 PolarHBondContact O-N 2.74Š|
| 1099 | C | 55 | Low | 61.8 | Low | 104 Ų | 104 | 143 Ų | 143 | 70% | 0.703 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -76.4 | -19.7 | -175.4 | -71.2 | 0 | 0 | 0 | 0 | 114.9 | E1096 D1097 E1101 | E1096-C1099 PolarHBondContact O-N 3.26Å; D1097-C1099 VanDerWaalsContact C-N 3.31Å; D1097-C1099 PolarHBondContact O-N 2.99Å; C1099-E1101 PolarHBondContact O-N 3.46Å |
| 1100 | A | 61.7 | Low | 61.4 | Low | 71 Ų | 71 | 137.6 Ų | 137.6 | 59% | 0.587 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -74.5 | -18 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | M1102 | A1100-M1102 VanDerWaalsContact C-N 3.3Å; A1100-M1102 PolarHBondContact O-N 2.9Å |
| 1101 | E | 60.7 | Low | 61.1 | Low | 170 Ų | 170 | 134.4 Ų | 134.4 | 79% | 0.794 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -72.4 | -22.3 | -173 | -165.6 | 167.4 | -152.8 | 0 | 0 | 113.2 | C1099 E1103 | C1099-E1101 PolarHBondContact O-N 3.46Å; E1101-E1103 PolarHBondContact O-N 3.22Å |
| 1102 | M | 56.8 | Low | 60.9 | Low | 155 Ų | 155 | 138.5 Ų | 138.5 | 76% | 0.764 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -78.2 | -19.7 | -171.8 | -168.9 | 165 | 61 | 0 | 0 | 114.4 | A1100 S1104 | A1100-M1102 VanDerWaalsContact C-N 3.3Å; A1100-M1102 PolarHBondContact O-N 2.9Å; M1102-S1104 VanDerWaalsContact C-N 3.27Å; M1102-S1104 PolarHBondContact O-N 2.74Å |
| 1103 | E | 60.5 | Low | 60.8 | Low | 151 Ų | 151 | 132.9 Ų | 132.9 | 71% | 0.706 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -68.6 | -24.8 | -175.3 | -60.8 | -172.3 | 132.1 | 0 | 0 | 112.9 | E1101 H1105 L1106 | E1101-E1103 PolarHBondContact O-N 3.22Å; E1103-H1105 PolarHBondContact O-N 2.86Å; E1103-H1105 VanDerWaalsContact O-N 3.12Å; E1103-L1106 PolarHBondContact O-N 3.43Å |
| 1104 | S | 64 | Low | 60.6 | Low | 99 Ų | 99 | 131.6 Ų | 131.6 | 69% | 0.692 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -64.6 | -17.4 | -175.2 | -170.6 | 0 | 0 | 0 | 0 | 114.9 | M1102 | M1102-S1104 VanDerWaalsContact C-N 3.27Å; M1102-S1104 PolarHBondContact O-N 2.74Å |
| 1105 | H | 61.5 | Low | 60.3 | Low | 148 Ų | 148 | 129.3 Ų | 129.3 | 69% | 0.685 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -82.1 | -10.7 | -177.5 | -83.6 | -62.8 | 0 | 0 | 0 | 114.6 | E1103 | E1103-H1105 PolarHBondContact O-N 2.86Å; E1103-H1105 VanDerWaalsContact O-N 3.12Å |
| 1106 | L | 60.2 | Low | 59.8 | Low | 136 Ų | 136 | 129.7 Ų | 129.7 | 71% | 0.712 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -75.2 | -23.1 | -179.1 | -85 | 161.9 | 0 | 0 | 0 | 113.9 | E1103 | E1103-L1106 PolarHBondContact O-N 3.43Š|
| 1107 | E | 63.7 | Low | 59.7 | Low | 141 Ų | 141 | 131.6 Ų | 131.6 | 66% | 0.659 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -74.1 | -35.3 | -171 | -161.1 | 61.7 | -152.9 | 0 | 0 | 113.3 | A1109 N1110 | E1107-A1109 VanDerWaalsContact C-N 3.28Å; E1107-A1109 PolarHBondContact O-N 3.17Å; E1107-N1110 PolarHBondContact O-N 3.1Å |
| 1108 | E | 58.9 | Low | 59.4 | Low | 150 Ų | 150 | 132 Ų | 132 | 70% | 0.701 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -32.9 | -177.7 | -86.2 | -172.4 | 133.1 | 0 | 0 | 113.4 | N1110 V1111 | E1108-N1110 PolarHBondContact O-N 2.97Å; E1108-V1111 PolarHBondContact O-N 3.16Å |
| 1109 | A | 56.1 | Low | 59.3 | Low | 66 Ų | 66 | 129 Ų | 129 | 55% | 0.545 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -65.2 | -26 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E1107 V1111 | E1107-A1109 VanDerWaalsContact C-N 3.28Å; E1107-A1109 PolarHBondContact O-N 3.17Å; A1109-V1111 VanDerWaalsContact C-N 3.27Å; A1109-V1111 PolarHBondContact O-N 3.13Å |
| 1110 | N | 59.1 | Low | 59.4 | Low | 92 Ų | 92 | 129 Ų | 129 | 49% | 0.492 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -68.4 | -22.1 | -177.3 | -87.8 | -41.7 | 0 | 0 | 0 | 113.8 | E1107 E1108 M1113 | E1107-N1110 PolarHBondContact O-N 3.1Å; E1108-N1110 PolarHBondContact O-N 2.97Å; N1110-M1113 WeakPolarHBondContact OD1-CE 3.35Å |
| 1111 | V | 62.6 | Low | 59.3 | Low | 103 Ų | 103 | 128.7 Ų | 128.7 | 62% | 0.624 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -71 | -42.2 | -175.8 | -177.5 | 0 | 0 | 0 | 0 | 111.6 | E1108 A1109 M1113 K1114 | E1108-V1111 PolarHBondContact O-N 3.16Å; A1109-V1111 VanDerWaalsContact C-N 3.27Å; A1109-V1111 PolarHBondContact O-N 3.13Å; V1111-M1113 VanDerWaalsContact C-N 3.27Å; V1111-M1113 PolarHBondContact O-N 3.25Å; V1111-K1114 WeakPolarHBondContact O-CB 3.47Å; V1111-K1114 PolarHBondContact O-N 3.39Å; V1111-K1114 VanDerWaalsContact O-N 3.16Å |
| 1112 | Q | 58.1 | Low | 59.2 | Low | 157 Ų | 157 | 124.7 Ų | 124.7 | 73% | 0.734 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -65.1 | -28.1 | -174.5 | -62.5 | -175.9 | 6.2 | 0 | 0 | 113.4 | K1114 | Q1112-K1114 PolarHBondContact O-N 2.88Å; Q1112-K1114 VanDerWaalsContact O-N 3.13Å |
| 1113 | M | 57.5 | Low | 59.3 | Low | 101 Ų | 101 | 120.7 Ų | 120.7 | 50% | 0.498 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -64.5 | -13 | 176.9 | -98.1 | -167.3 | -73 | 0 | 0 | 114.4 | N1110 V1111 R1117 | N1110-M1113 WeakPolarHBondContact OD1-CE 3.35Å; V1111-M1113 VanDerWaalsContact C-N 3.27Å; V1111-M1113 PolarHBondContact O-N 3.25Å; M1113-R1117 WeakPolarHBondContact O-CG 3.44Å; M1113-R1117 PolarHBondContact O-NE 3.39Å |
| 1114 | K | 62.9 | Low | 59.3 | Low | 161 Ų | 161 | 120.5 Ų | 120.5 | 70% | 0.7 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -86 | -45.1 | -171 | -148.9 | 169.3 | -174.1 | 175.2 | 0 | 112.5 | V1111 Q1112 R1117 | V1111-K1114 WeakPolarHBondContact O-CB 3.47Å; V1111-K1114 PolarHBondContact O-N 3.39Å; V1111-K1114 VanDerWaalsContact O-N 3.16Å; Q1112-K1114 PolarHBondContact O-N 2.88Å; Q1112-K1114 VanDerWaalsContact O-N 3.13Å; K1114-R1117 PolarHBondContact O-N 3.17Å |
| 1115 | D | 57.5 | Low | 59.2 | Low | 119 Ų | 119 | 123.3 Ų | 123.3 | 64% | 0.636 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -69.2 | -40.9 | -174.3 | -66.9 | -13 | 0 | 0 | 0 | 112.5 | R1117 Q1118 | D1115-R1117 PolarHBondContact O-N 2.91Å; D1115-R1117 VanDerWaalsContact O-N 3.1Å; D1115-Q1118 PolarHBondContact O-N 3.28Å |
| 1116 | M | 56.8 | Low | 59.1 | Low | 145 Ų | 145 | 119.8 Ų | 119.8 | 71% | 0.714 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -56.7 | -28.7 | 177.7 | -81.8 | 176.4 | 55.3 | 0 | 0 | 113.6 | Q1118 | M1116-Q1118 PolarHBondContact O-N 3.47Å |
| 1117 | R | 60.1 | Low | 59.1 | Low | 183 Ų | 183 | 119.4 Ų | 119.4 | 69% | 0.691 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -70.5 | -22.1 | 179.9 | -64.1 | 179.6 | -174.3 | -162 | -0.5 | 112.6 | M1113 K1114 D1115 | M1113-R1117 WeakPolarHBondContact O-CG 3.44Å; M1113-R1117 PolarHBondContact O-NE 3.39Å; K1114-R1117 PolarHBondContact O-N 3.17Å; D1115-R1117 PolarHBondContact O-N 2.91Å; D1115-R1117 VanDerWaalsContact O-N 3.1Å |
| 1118 | Q | 55.5 | Low | 59.1 | Low | 155 Ų | 155 | 117.8 Ų | 117.8 | 72% | 0.724 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -83.5 | -29.9 | -177 | -165.9 | 164.2 | -9.4 | 0 | 0 | 112.6 | D1115 M1116 | D1115-Q1118 PolarHBondContact O-N 3.28Å; M1116-Q1118 PolarHBondContact O-N 3.47Å |
| 1119 | T | 56.8 | Low | 59.1 | Low | 103 Ų | 103 | 115.6 Ų | 115.6 | 63% | 0.632 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -73.8 | -27.1 | 179.4 | -29.8 | 0 | 0 | 0 | 0 | 113.4 | S1122 | T1119-S1122 PolarHBondContact O-OG 3.24Å |
| 1120 | V | 56.8 | Low | 59.2 | Low | 104 Ų | 104 | 118.5 Ų | 118.5 | 63% | 0.63 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -73.3 | -35.3 | -178.3 | 176.5 | 0 | 0 | 0 | 0 | 111.8 | S1122 S1123 | V1120-S1122 PolarHBondContact O-N 3.25Å; V1120-S1123 PolarHBondContact O-N 3.36Å |
| 1121 | A | 59.9 | Low | 59.4 | Low | 64 Ų | 64 | 120.6 Ų | 120.6 | 53% | 0.529 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -62.3 | -41.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1123 Y1124 | A1121-S1123 PolarHBondContact O-N 2.75Å; A1121-Y1124 PolarHBondContact O-N 2.91Å |
| 1122 | S | 57 | Low | 59.3 | Low | 86 Ų | 86 | 122.2 Ų | 122.2 | 60% | 0.601 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -76.9 | -18 | -176.7 | 50 | 0 | 0 | 0 | 0 | 114.4 | T1119 V1120 | T1119-S1122 PolarHBondContact O-OG 3.24Å; V1120-S1122 PolarHBondContact O-N 3.25Å |
| 1123 | S | 59.7 | Low | 59.3 | Low | 71 Ų | 71 | 123.1 Ų | 123.1 | 50% | 0.497 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -71.4 | -40.9 | 172.3 | -167.1 | 0 | 0 | 0 | 0 | 111.3 | V1120 A1121 E1125 S1126 E1127 | V1120-S1123 PolarHBondContact O-N 3.36Å; A1121-S1123 PolarHBondContact O-N 2.75Å; S1123-E1125 PolarHBondContact O-N 3.46Å; S1123-S1126 PolarHBondContact O-N 2.89Å; S1123-S1126 PolarHBondContact O-OG 2.83Å; S1123-E1127 PolarHBondContact O-N 2.71Å |
| 1124 | Y | 61 | Low | 59.4 | Low | 146 Ų | 146 | 123.7 Ų | 123.7 | 57% | 0.573 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -65 | -40 | -167.4 | -171.8 | -104.6 | 0 | 0 | 0 | 114 | A1121 S1126 E1127 Q1128 | A1121-Y1124 PolarHBondContact O-N 2.91Å; Y1124-S1126 VanDerWaalsContact C-N 3.33Å; Y1124-S1126 PolarHBondContact O-N 3.49Å; Y1124-E1127 PolarHBondContact O-N 3.42Å; Y1124-Q1128 VanDerWaalsContact CZ-NE2 3.3Å; Y1124-Q1128 PolarHBondContact OH-NE2 2.87Å; Y1124-Q1128 VanDerWaalsContact OH-NE2 3.15Å |
| 1125 | E | 60.8 | Low | 59.3 | Low | 158 Ų | 158 | 120 Ų | 120 | 74% | 0.738 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -67.9 | -32.6 | -179.9 | -62.9 | -173 | 141.7 | 0 | 0 | 112.3 | S1123 E1127 | S1123-E1125 PolarHBondContact O-N 3.46Å; E1125-E1127 VanDerWaalsContact C-N 3.35Å |
| 1126 | S | 59.5 | Low | 59.4 | Low | 74 Ų | 74 | 117.7 Ų | 117.7 | 52% | 0.517 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -72.5 | -27.2 | 179.1 | 75.8 | 0 | 0 | 0 | 0 | 113.6 | S1123 Y1124 | S1123-S1126 PolarHBondContact O-N 2.89Å; S1123-S1126 PolarHBondContact O-OG 2.83Å; Y1124-S1126 VanDerWaalsContact C-N 3.33Å; Y1124-S1126 PolarHBondContact O-N 3.49Å |
| 1127 | E | 60.1 | Low | 59.4 | Low | 129 Ų | 129 | 117.1 Ų | 117.1 | 60% | 0.603 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -80.9 | -33.3 | -175.8 | -165.9 | 174.9 | -172.1 | 0 | 0 | 112.2 | S1123 Y1124 E1125 K1131 | S1123-E1127 PolarHBondContact O-N 2.71Å; Y1124-E1127 PolarHBondContact O-N 3.42Å; E1125-E1127 VanDerWaalsContact C-N 3.35Å; E1127-K1131 WeakPolarHBondContact O-CB 3.4Å; E1127-K1131 PolarHBondContact O-N 3.42Å; E1127-K1131 VanDerWaalsContact O-N 3.17Å |
| 1128 | Q | 64.3 | Low | 59.5 | Low | 107 Ų | 107 | 111.4 Ų | 111.4 | 50% | 0.5 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67.3 | -42.7 | -179.8 | -68.1 | -148.8 | 16.2 | 0 | 0 | 113.7 | Y1124 L1130 K1131 H1132 | Y1124-Q1128 VanDerWaalsContact CZ-NE2 3.3Å; Y1124-Q1128 PolarHBondContact OH-NE2 2.87Å; Y1124-Q1128 VanDerWaalsContact OH-NE2 3.15Å; Q1128-L1130 VanDerWaalsContact C-N 3.35Å; Q1128-L1130 PolarHBondContact O-N 3.34Å; Q1128-K1131 PolarHBondContact O-N 3.07Å; Q1128-H1132 PolarHBondContact O-N 3.47Å |
| 1129 | D | 58.9 | Low | 59.8 | Low | 103 Ų | 103 | 107.6 Ų | 107.6 | 55% | 0.551 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67.3 | -35.9 | -177 | -168.6 | 63.3 | 0 | 0 | 0 | 112.2 | R1133 | D1129-R1133 WeakPolarHBondContact O-CG 3.33Å |
| 1130 | L | 59.5 | Low | 59.9 | Low | 127 Ų | 127 | 109.7 Ų | 109.7 | 67% | 0.665 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.3 | -44.5 | 172 | -79.4 | 168.2 | 0 | 0 | 0 | 111.9 | Q1128 R1133 L1134 | Q1128-L1130 VanDerWaalsContact C-N 3.35Å; Q1128-L1130 PolarHBondContact O-N 3.34Å; L1130-R1133 PolarHBondContact O-N 2.99Å; L1130-L1134 PolarHBondContact O-N 2.97Å |
| 1131 | K | 61.5 | Low | 60.2 | Low | 136 Ų | 136 | 111.8 Ų | 111.8 | 59% | 0.591 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -60.4 | -48.2 | 179.8 | -171.4 | 174 | -176 | 174.2 | 0 | 111.9 | E1127 Q1128 R1133 L1134 D1135 | E1127-K1131 WeakPolarHBondContact O-CB 3.4Å; E1127-K1131 PolarHBondContact O-N 3.42Å; E1127-K1131 VanDerWaalsContact O-N 3.17Å; Q1128-K1131 PolarHBondContact O-N 3.07Å; K1131-R1133 VanDerWaalsContact C-N 3.26Å; K1131-R1133 PolarHBondContact O-N 3.32Å; K1131-L1134 WeakPolarHBondContact O-CB 3.41Å; K1131-L1134 PolarHBondContact O-N 3.07Å; K1131-D1135 PolarHBondContact O-N 3.43Å; K1131-D1135 VanDerWaalsContact O-N 3.15Å |
| 1132 | H | 61.4 | Low | 60.1 | Low | 138 Ų | 138 | 114 Ų | 114 | 64% | 0.639 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.4 | -32.4 | -175.6 | -156 | -13.1 | 0 | 0 | 0 | 113 | Q1128 T1136 | Q1128-H1132 PolarHBondContact O-N 3.47Å; H1132-T1136 PolarHBondContact O-OG1 2.99Å |
| 1133 | R | 57 | Low | 60.2 | Low | 175 Ų | 175 | 117.4 Ų | 117.4 | 66% | 0.66 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -75.4 | -30.5 | 175.7 | -66.9 | 173.2 | 70.9 | 170.2 | 1.3 | 112.8 | D1129 L1130 K1131 | D1129-R1133 WeakPolarHBondContact O-CG 3.33Å; L1130-R1133 PolarHBondContact O-N 2.99Å; K1131-R1133 VanDerWaalsContact C-N 3.26Å; K1131-R1133 PolarHBondContact O-N 3.32Å |
| 1134 | L | 60.4 | Low | 60.1 | Low | 113 Ų | 113 | 123.9 Ų | 123.9 | 59% | 0.592 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -70.5 | -50.2 | 177.7 | -171.2 | 65.6 | 0 | 0 | 0 | 111.8 | L1130 K1131 T1136 M1137 T1138 | L1130-L1134 PolarHBondContact O-N 2.97Å; K1131-L1134 WeakPolarHBondContact O-CB 3.41Å; K1131-L1134 PolarHBondContact O-N 3.07Å; L1134-T1136 PolarHBondContact O-N 2.86Å; L1134-M1137 PolarHBondContact O-N 3.32Å; L1134-T1138 PolarHBondContact O-N 3.35Å; L1134-T1138 VanDerWaalsContact O-N 3.08Å; L1134-T1138 PolarHBondContact O-OG1 3.01Å |
| 1135 | D | 61.8 | Low | 60.1 | Low | 83 Ų | 83 | 122.7 Ų | 122.7 | 44% | 0.444 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -58.8 | -36.1 | -177.8 | -66.3 | -27.2 | 0 | 0 | 0 | 112.5 | K1131 M1137 T1138 T1139 | K1131-D1135 PolarHBondContact O-N 3.43Å; K1131-D1135 VanDerWaalsContact O-N 3.15Å; D1135-M1137 VanDerWaalsContact C-N 3.28Å; D1135-M1137 PolarHBondContact O-N 2.96Å; D1135-T1138 PolarHBondContact O-N 3.1Å; D1135-T1139 WeakPolarHBondContact O-CG2 3.33Å; D1135-T1139 PolarHBondContact O-N 3.35Å; D1135-T1139 PolarHBondContact O-OG1 2.94Å |
| 1136 | T | 59.1 | Low | 60 | Low | 72 Ų | 72 | 119 Ų | 119 | 44% | 0.442 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.2 | -24.8 | 178.2 | -54.7 | 0 | 0 | 0 | 0 | 113.3 | H1132 L1134 | H1132-T1136 PolarHBondContact O-OG1 2.99Å; L1134-T1136 PolarHBondContact O-N 2.86Å |
| 1137 | M | 57.3 | Low | 59.9 | Low | 133 Ų | 133 | 119.3 Ų | 119.3 | 66% | 0.655 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -90.4 | -39.7 | 176.2 | -76.7 | -65.6 | -68.4 | 0 | 0 | 112.3 | L1134 D1135 K1140 K1141 | L1134-M1137 PolarHBondContact O-N 3.32Å; D1135-M1137 VanDerWaalsContact C-N 3.28Å; D1135-M1137 PolarHBondContact O-N 2.96Å; M1137-K1140 PolarHBondContact O-N 2.72Å; M1137-K1141 PolarHBondContact O-N 3.05Å |
| 1138 | T | 62.3 | Low | 59.7 | Low | 62 Ų | 62 | 117.3 Ų | 117.3 | 38% | 0.38 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.9 | -48.5 | -179.6 | -55 | 0 | 0 | 0 | 0 | 111.5 | L1134 D1135 K1140 K1141 E1142 | L1134-T1138 PolarHBondContact O-N 3.35Å; L1134-T1138 VanDerWaalsContact O-N 3.08Å; L1134-T1138 PolarHBondContact O-OG1 3.01Å; D1135-T1138 PolarHBondContact O-N 3.1Å; T1138-K1140 PolarHBondContact O-N 2.74Å; T1138-K1140 VanDerWaalsContact O-N 3.16Å; T1138-K1141 WeakPolarHBondContact O-CB 3.22Å; T1138-K1141 PolarHBondContact O-N 3.41Å; T1138-E1142 PolarHBondContact O-N 3.43Å; T1138-E1142 VanDerWaalsContact O-N 3.17Å |
| 1139 | T | 60.7 | Low | 59.6 | Low | 76 Ų | 76 | 115.6 Ų | 115.6 | 47% | 0.466 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.5 | -24.8 | -179.4 | 48 | 0 | 0 | 0 | 0 | 114.6 | D1135 | D1135-T1139 WeakPolarHBondContact O-CG2 3.33Å; D1135-T1139 PolarHBondContact O-N 3.35Å; D1135-T1139 PolarHBondContact O-OG1 2.94Å |
| 1140 | K | 60 | Low | 59.8 | Low | 146 Ų | 146 | 116.7 Ų | 116.7 | 64% | 0.635 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -77.7 | -33.5 | 172.8 | -75.9 | -179.8 | 177.9 | 173.7 | 0 | 112.7 | M1137 T1138 | M1137-K1140 PolarHBondContact O-N 2.72Å; T1138-K1140 PolarHBondContact O-N 2.74Å; T1138-K1140 VanDerWaalsContact O-N 3.16Å |
| 1141 | K | 61.2 | Low | 59.7 | Low | 149 Ų | 149 | 117.7 Ų | 117.7 | 65% | 0.648 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -71.6 | -41.5 | 179.7 | -176.1 | -177.5 | 176 | -174.1 | 0 | 111.9 | M1137 T1138 W1144 M1145 | M1137-K1141 PolarHBondContact O-N 3.05Å; T1138-K1141 WeakPolarHBondContact O-CB 3.22Å; T1138-K1141 PolarHBondContact O-N 3.41Å; K1141-W1144 PolarHBondContact O-N 3.12Å; K1141-M1145 PolarHBondContact O-N 3.37Å |
| 1142 | E | 59.3 | Low | 60 | Low | 110 Ų | 110 | 119.2 Ų | 119.2 | 51% | 0.514 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.4 | -44.2 | -176.7 | -69.4 | 178.7 | 118.8 | 0 | 0 | 112.8 | T1138 W1144 M1145 T1146 | T1138-E1142 PolarHBondContact O-N 3.43Å; T1138-E1142 VanDerWaalsContact O-N 3.17Å; E1142-W1144 PolarHBondContact O-N 2.75Å; E1142-W1144 VanDerWaalsContact O-N 3.1Å; E1142-M1145 PolarHBondContact O-N 2.74Å; E1142-T1146 PolarHBondContact O-N 3.28Å; E1142-T1146 PolarHBondContact O-OG1 3.36Å |
| 1143 | K | 58.1 | Low | 60.1 | Low | 157 Ų | 157 | 120.5 Ų | 120.5 | 68% | 0.683 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -58.8 | -23.9 | 178.8 | -71.5 | -176.3 | 176.2 | -176.8 | 0 | 114.2 | T1146 T1147 | K1143-T1146 PolarHBondContact O-OG1 3.1Å; K1143-T1147 PolarHBondContact O-OG1 3.48Å |
| 1144 | W | 57 | Low | 60.6 | Low | 207 Ų | 207 | 117.1 Ų | 117.1 | 78% | 0.784 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -82.4 | -38.4 | 173.4 | -95.1 | 63.7 | 0 | 0 | 0 | 112.8 | K1141 E1142 C1148 | K1141-W1144 PolarHBondContact O-N 3.12Å; E1142-W1144 PolarHBondContact O-N 2.75Å; E1142-W1144 VanDerWaalsContact O-N 3.1Å; W1144-C1148 PolarHBondContact O-N 2.65Å |
| 1145 | M | 61.1 | Low | 60.7 | Low | 121 Ų | 121 | 120 Ų | 120 | 60% | 0.596 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -74.9 | -31.2 | 179.2 | -67 | -144.1 | -55.2 | 0 | 0 | 113.6 | K1141 E1142 T1149 | K1141-M1145 PolarHBondContact O-N 3.37Å; E1142-M1145 PolarHBondContact O-N 2.74Å; M1145-T1149 VanDerWaalsContact O-CG2 3.32Å; M1145-T1149 WeakPolarHBondContact O-CG2 3.19Å; M1145-T1149 PolarHBondContact O-N 2.87Å; M1145-T1149 VanDerWaalsContact O-N 3.16Å; M1145-T1149 PolarHBondContact O-OG1 2.9Å |
| 1146 | T | 59.4 | Low | 60.9 | Low | 80 Ų | 80 | 121 Ų | 121 | 49% | 0.491 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -59 | -55.4 | 173.7 | 48.8 | 0 | 0 | 0 | 0 | 110.7 | E1142 K1143 C1148 T1149 E1150 | E1142-T1146 PolarHBondContact O-N 3.28Å; E1142-T1146 PolarHBondContact O-OG1 3.36Å; K1143-T1146 PolarHBondContact O-OG1 3.1Å; T1146-C1148 VanDerWaalsContact C-N 3.33Å; T1146-C1148 PolarHBondContact O-N 3.02Å; T1146-T1149 PolarHBondContact O-N 3.05Å; T1146-T1149 PolarHBondContact O-OG1 2.95Å; T1146-T1149 VanDerWaalsContact O-OG1 3.1Å; T1146-E1150 PolarHBondContact O-N 3.35Å; T1146-E1150 VanDerWaalsContact O-N 3.13Å |
| 1147 | T | 57.6 | Low | 61.2 | Low | 81 Ų | 81 | 119.1 Ų | 119.1 | 50% | 0.497 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -54.8 | -44.2 | -177.2 | -47.7 | 0 | 0 | 0 | 0 | 112.6 | K1143 | K1143-T1147 PolarHBondContact O-OG1 3.48Å |
| 1148 | C | 56 | Low | 61.3 | Low | 87 Ų | 87 | 118.4 Ų | 118.4 | 59% | 0.588 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -74.7 | -25 | 179.5 | -69.1 | 0 | 0 | 0 | 0 | 114.4 | W1144 T1146 | W1144-C1148 PolarHBondContact O-N 2.65Å; T1146-C1148 VanDerWaalsContact C-N 3.33Å; T1146-C1148 PolarHBondContact O-N 3.02Å |
| 1149 | T | 62.6 | Low | 61.6 | Low | 71 Ų | 71 | 120.8 Ų | 120.8 | 44% | 0.436 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -87.9 | -10.4 | 177.8 | 59.2 | 0 | 0 | 0 | 0 | 113.5 | M1145 T1146 R1153 | M1145-T1149 VanDerWaalsContact O-CG2 3.32Å; M1145-T1149 WeakPolarHBondContact O-CG2 3.19Å; M1145-T1149 PolarHBondContact O-N 2.87Å; M1145-T1149 VanDerWaalsContact O-N 3.16Å; M1145-T1149 PolarHBondContact O-OG1 2.9Å; T1146-T1149 PolarHBondContact O-N 3.05Å; T1146-T1149 PolarHBondContact O-OG1 2.95Å; T1146-T1149 VanDerWaalsContact O-OG1 3.1Å; T1149-R1153 WeakPolarHBondContact O-CG 3.41Å; T1149-R1153 PolarHBondContact O-NH1 3.27Å; T1149-R1153 PolarHBondContact OG1-NH1 3.04Å |
| 1150 | E | 61.2 | Low | 62 | Low | 127 Ų | 127 | 123.8 Ų | 123.8 | 59% | 0.593 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -78.7 | -52.3 | 176.1 | -164.6 | 159.7 | -131.6 | 0 | 0 | 111.3 | T1146 K1152 R1153 N1154 | T1146-E1150 PolarHBondContact O-N 3.35Å; T1146-E1150 VanDerWaalsContact O-N 3.13Å; E1150-K1152 PolarHBondContact O-N 3.25Å; E1150-K1152 VanDerWaalsContact O-N 3.17Å; E1150-R1153 PolarHBondContact O-N 3.14Å; E1150-N1154 PolarHBondContact O-N 3.37Å |
| 1151 | M | 59 | Low | 62.4 | Low | 147 Ų | 147 | 120.4 Ų | 120.4 | 72% | 0.724 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -54.4 | -38.9 | 176.5 | -69.4 | -172.5 | 175.1 | 0 | 0 | 113 | R1153 N1154 | M1151-R1153 VanDerWaalsContact C-N 3.31Å; M1151-R1153 PolarHBondContact O-N 3.47Å; M1151-N1154 PolarHBondContact O-N 3.07Å |
| 1152 | K | 66.2 | Low | 62.8 | Low | 168 Ų | 168 | 118.2 Ų | 118.2 | 73% | 0.73 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -74.2 | -18 | -177.5 | -150.1 | 172.2 | -173.4 | 178 | 0 | 113.7 | E1150 | E1150-K1152 PolarHBondContact O-N 3.25Å; E1150-K1152 VanDerWaalsContact O-N 3.17Å |
| 1153 | R | 63.7 | Low | 63.4 | Low | 165 Ų | 165 | 117.1 Ų | 117.1 | 62% | 0.623 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -77.3 | -43.7 | 171.1 | -75.8 | 178.5 | 176.2 | 95.4 | -10.9 | 111.6 | T1149 E1150 M1151 F1155 N1156 A1157 | T1149-R1153 WeakPolarHBondContact O-CG 3.41Å; T1149-R1153 PolarHBondContact O-NH1 3.27Å; T1149-R1153 PolarHBondContact OG1-NH1 3.04Å; E1150-R1153 PolarHBondContact O-N 3.14Å; M1151-R1153 VanDerWaalsContact C-N 3.31Å; M1151-R1153 PolarHBondContact O-N 3.47Å; R1153-F1155 VanDerWaalsContact C-N 3.29Å; R1153-F1155 PolarHBondContact O-N 2.87Å; R1153-N1156 PolarHBondContact O-N 3.49Å; R1153-N1156 VanDerWaalsContact O-N 3.13Å; R1153-A1157 PolarHBondContact O-N 3.47Å |
| 1154 | N | 67.4 | Low | 64 | Low | 105 Ų | 105 | 112.6 Ų | 112.6 | 56% | 0.561 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -59.5 | -37.8 | -174.9 | -66.9 | -9.2 | 0 | 0 | 0 | 112.8 | E1150 M1151 A1157 | E1150-N1154 PolarHBondContact O-N 3.37Å; M1151-N1154 PolarHBondContact O-N 3.07Å; N1154-A1157 PolarHBondContact O-N 2.92Å |
| 1155 | F | 63.4 | Low | 64.6 | Low | 172 Ų | 172 | 107.4 Ų | 107.4 | 75% | 0.754 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.1 | -36.3 | 178.3 | -151.5 | -84.9 | 0 | 0 | 0 | 113.1 | R1153 | R1153-F1155 VanDerWaalsContact C-N 3.29Å; R1153-F1155 PolarHBondContact O-N 2.87Å |
| 1156 | N | 66.6 | Low | 65.1 | Low | 105 Ų | 105 | 106.6 Ų | 106.6 | 56% | 0.561 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -72.4 | -32.1 | 175.7 | -83 | -2.4 | 0 | 0 | 0 | 112.5 | R1153 L1158 Q1159 Q1160 | R1153-N1156 PolarHBondContact O-N 3.49Å; R1153-N1156 VanDerWaalsContact O-N 3.13Å; N1156-L1158 PolarHBondContact O-N 2.77Å; N1156-Q1159 PolarHBondContact O-N 3.37Å; N1156-Q1160 WeakPolarHBondContact O-CG 3.44Å; N1156-Q1160 PolarHBondContact O-N 3.05Å; N1156-Q1160 VanDerWaalsContact O-N 3.1Å |
| 1157 | A | 64.9 | Low | 65.7 | Low | 33 Ų | 33 | 105.8 Ų | 105.8 | 27% | 0.273 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R1153 N1154 Q1159 Q1160 E1161 | R1153-A1157 PolarHBondContact O-N 3.47Å; N1154-A1157 PolarHBondContact O-N 2.92Å; A1157-Q1159 VanDerWaalsContact C-N 3.33Å; A1157-Q1159 PolarHBondContact O-N 3.48Å; A1157-Q1160 PolarHBondContact O-N 3.39Å; A1157-E1161 PolarHBondContact O-N 2.91Å |
| 1158 | L | 59 | Low | 66.5 | Low | 118 Ų | 118 | 104.7 Ų | 104.7 | 62% | 0.618 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.2 | -40 | 178 | -71.8 | 167.5 | 0 | 0 | 0 | 112.8 | N1156 E1161 K1162 | N1156-L1158 PolarHBondContact O-N 2.77Å; L1158-E1161 PolarHBondContact O-N 3.32Å; L1158-K1162 PolarHBondContact O-N 2.97Å |
| 1159 | Q | 68.7 | Low | 67.1 | Low | 111 Ų | 111 | 105.5 Ų | 105.5 | 52% | 0.519 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -71.5 | -32.8 | 177.7 | -170.7 | 60.5 | 59.1 | 0 | 0 | 112.3 | N1156 A1157 N1163 | N1156-Q1159 PolarHBondContact O-N 3.37Å; A1157-Q1159 VanDerWaalsContact C-N 3.33Å; A1157-Q1159 PolarHBondContact O-N 3.48Å; Q1159-N1163 PolarHBondContact NE2-OD1 3.12Å; Q1159-N1163 PolarHBondContact O-N 3.4Å; Q1159-N1163 PolarHBondContact O-OD1 3.39Å |
| 1160 | Q | 70.3 | Confident | 67.7 | Low | 140 Ų | 140 | 110.7 Ų | 110.7 | 65% | 0.654 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -69.6 | -38.1 | 172.7 | -72.9 | -178.9 | -20.5 | 0 | 0 | 112 | N1156 A1157 N1163 Y1164 | N1156-Q1160 WeakPolarHBondContact O-CG 3.44Å; N1156-Q1160 PolarHBondContact O-N 3.05Å; N1156-Q1160 VanDerWaalsContact O-N 3.1Å; A1157-Q1160 PolarHBondContact O-N 3.39Å; Q1160-N1163 PolarHBondContact O-N 3.46Å; Q1160-Y1164 WeakPolarHBondContact O-CB 3.44Å; Q1160-Y1164 PolarHBondContact O-N 2.87Å |
| 1161 | E | 68.6 | Low | 68.3 | Low | 74 Ų | 74 | 107.2 Ų | 107.2 | 35% | 0.346 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.4 | -42.5 | 178.3 | -173.3 | 163.5 | -143.9 | 0 | 0 | 112.1 | A1157 L1158 N1163 Y1164 L1165 | A1157-E1161 PolarHBondContact O-N 2.91Å; L1158-E1161 PolarHBondContact O-N 3.32Å; E1161-N1163 PolarHBondContact O-N 3.37Å; E1161-Y1164 PolarHBondContact O-N 3.49Å; E1161-L1165 HydrophobicContact CG-CD1 4.34Å; E1161-L1165 WeakPolarHBondContact O-CG 3.44Å; E1161-L1165 PolarHBondContact O-N 2.94Å |
| 1162 | K | 68.1 | Low | 68.8 | Low | 103 Ų | 103 | 104.6 Ų | 104.6 | 45% | 0.448 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -55.1 | -54.2 | 171.9 | -175.6 | -172.5 | 178.7 | -82.1 | 0 | 111.5 | L1158 Y1164 L1165 E1166 | L1158-K1162 PolarHBondContact O-N 2.97Å; K1162-Y1164 VanDerWaalsContact C-N 3.25Å; K1162-Y1164 PolarHBondContact O-N 3.25Å; K1162-L1165 PolarHBondContact O-N 3.21Å; K1162-E1166 WeakPolarHBondContact CE-OE1 3.36Å; K1162-E1166 IonicContact NZ-OE1 2.62Å; K1162-E1166 PolarHBondContact NZ-OE1 3Å; K1162-E1166 IonicContact NZ-OE2 2.88Å; K1162-E1166 PolarHBondContact NZ-OE2 3.31Å; K1162-E1166 PolarHBondContact O-N 2.92Å; K1162-E1166 VanDerWaalsContact O-N 3.12Å |
| 1163 | N | 71.5 | Confident | 69.1 | Low | 87 Ų | 87 | 102.1 Ų | 102.1 | 47% | 0.465 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.6 | -32.2 | -176.7 | -66.4 | 14.2 | 0 | 0 | 0 | 111.7 | Q1159 Q1160 E1161 S1167 | Q1159-N1163 PolarHBondContact NE2-OD1 3.12Å; Q1159-N1163 PolarHBondContact O-N 3.4Å; Q1159-N1163 PolarHBondContact O-OD1 3.39Å; Q1160-N1163 PolarHBondContact O-N 3.46Å; E1161-N1163 PolarHBondContact O-N 3.37Å; N1163-S1167 WeakPolarHBondContact O-CB 3.44Å; N1163-S1167 PolarHBondContact O-N 3.42Å; N1163-S1167 VanDerWaalsContact O-N 3.11Å |
| 1164 | Y | 72 | Confident | 69.6 | Low | 63 Ų | 63 | 99.7 Ų | 99.7 | 25% | 0.247 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -66.4 | -44.9 | 173.1 | 169.5 | -109.4 | 0 | 0 | 0 | 112.3 | L481 Q1160 E1161 K1162 S1167 K1168 | L481-Y1164 HydrophobicContact CD1-CD1 3.53Å; L481-Y1164 HydrophobicContact CD1-CD2 3.94Å; L481-Y1164 HydrophobicContact CD1-CE1 3.96Å; L481-Y1164 HydrophobicContact CD1-CE2 4.36Å; L481-Y1164 HydrophobicContact CD1-CG 3.49Å; L481-Y1164 VanDerWaalsContact CD1-CG 3.49Å; L481-Y1164 HydrophobicContact CD2-CD1 4.24Å; L481-Y1164 HydrophobicContact CD2-CD2 3.6Å; L481-Y1164 HydrophobicContact CD2-CE1 4Å; L481-Y1164 HydrophobicContact CD2-CE2 3.34Å; L481-Y1164 HydrophobicContact CD2-CG 4.03Å; L481-Y1164 HydrophobicContact CG-CD1 4.47Å; L481-Y1164 HydrophobicContact CG-CD2 4.44Å; L481-Y1164 HydrophobicContact CG-CE1 4.47Å; L481-Y1164 HydrophobicContact CG-CE2 4.48Å; L481-Y1164 HydrophobicContact CG-CG 4.42Å; Q1160-Y1164 WeakPolarHBondContact O-CB 3.44Å; Q1160-Y1164 PolarHBondContact O-N 2.87Å; E1161-Y1164 PolarHBondContact O-N 3.49Å; K1162-Y1164 VanDerWaalsContact C-N 3.25Å; K1162-Y1164 PolarHBondContact O-N 3.25Å; Y1164-S1167 CarbonylContact O-C 3.52Å; Y1164-S1167 PolarHBondContact O-N 3.47Å; Y1164-K1168 HydrophobicContact CE1-CD 4.04Å; Y1164-K1168 HydrophobicContact CE2-CB 4.43Å; Y1164-K1168 VanDerWaalsContact O-CB 3.32Å; Y1164-K1168 WeakPolarHBondContact O-CB 3.17Å; Y1164-K1168 PolarHBondContact O-N 3.4Å |
| 1165 | L | 68.6 | Low | 69.9 | Low | 98 Ų | 98 | 99.2 Ų | 99.2 | 51% | 0.513 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.6 | -41.1 | -179.8 | -69.4 | 171.8 | 0 | 0 | 0 | 111.7 | E1161 K1162 S1167 K1168 L1169 | E1161-L1165 HydrophobicContact CG-CD1 4.34Å; E1161-L1165 WeakPolarHBondContact O-CG 3.44Å; E1161-L1165 PolarHBondContact O-N 2.94Å; K1162-L1165 PolarHBondContact O-N 3.21Å; L1165-S1167 VanDerWaalsContact C-N 3.33Å; L1165-S1167 PolarHBondContact O-N 2.73Å; L1165-K1168 PolarHBondContact O-N 2.85Å; L1165-K1168 VanDerWaalsContact O-N 3.16Å; L1165-L1169 PolarHBondContact O-N 2.97Å |
| 1166 | E | 72 | Confident | 70.2 | Confident | 103 Ų | 103 | 98.8 Ų | 98.8 | 48% | 0.481 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63 | -37.2 | 173.1 | -69.6 | 176.4 | 156.2 | 0 | 0 | 112.1 | K1162 | K1162-E1166 WeakPolarHBondContact CE-OE1 3.36Å; K1162-E1166 IonicContact NZ-OE1 2.62Å; K1162-E1166 PolarHBondContact NZ-OE1 3Å; K1162-E1166 IonicContact NZ-OE2 2.88Å; K1162-E1166 PolarHBondContact NZ-OE2 3.31Å; K1162-E1166 PolarHBondContact O-N 2.92Å; K1162-E1166 VanDerWaalsContact O-N 3.12Å |
| 1167 | S | 72.3 | Confident | 70.6 | Confident | 63 Ų | 63 | 96.7 Ų | 96.7 | 44% | 0.441 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -73.7 | -26.3 | 173 | -179.3 | 0 | 0 | 0 | 0 | 113.7 | N1163 Y1164 L1165 K1171 | N1163-S1167 WeakPolarHBondContact O-CB 3.44Å; N1163-S1167 PolarHBondContact O-N 3.42Å; N1163-S1167 VanDerWaalsContact O-N 3.11Å; Y1164-S1167 CarbonylContact O-C 3.52Å; Y1164-S1167 PolarHBondContact O-N 3.47Å; L1165-S1167 VanDerWaalsContact C-N 3.33Å; L1165-S1167 PolarHBondContact O-N 2.73Å; S1167-K1171 WeakPolarHBondContact O-CG 3.12Å |
| 1168 | K | 74.1 | Confident | 71 | Confident | 59 Ų | 59 | 97.8 Ų | 97.8 | 26% | 0.257 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -78.6 | -40.5 | -179.7 | -176.7 | 178.8 | 176.8 | -75.6 | 0 | 111 | Y1164 L1165 R1170 K1171 E1172 | Y1164-K1168 HydrophobicContact CE1-CD 4.04Å; Y1164-K1168 HydrophobicContact CE2-CB 4.43Å; Y1164-K1168 VanDerWaalsContact O-CB 3.32Å; Y1164-K1168 WeakPolarHBondContact O-CB 3.17Å; Y1164-K1168 PolarHBondContact O-N 3.4Å; L1165-K1168 PolarHBondContact O-N 2.85Å; L1165-K1168 VanDerWaalsContact O-N 3.16Å; K1168-R1170 PolarHBondContact O-N 3.08Å; K1168-K1171 PolarHBondContact O-N 2.84Å; K1168-K1171 VanDerWaalsContact O-N 3.14Å; K1168-E1172 IonicContact NZ-OE1 3.73Å; K1168-E1172 PolarHBondContact NZ-OE1 2.83Å; K1168-E1172 IonicContact NZ-OE2 3.92Å; K1168-E1172 PolarHBondContact NZ-OE2 3.49Å; K1168-E1172 PolarHBondContact O-N 2.8Å |
| 1169 | L | 68.7 | Low | 71.7 | Confident | 103 Ų | 103 | 97 Ų | 97 | 54% | 0.539 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -56.5 | -49.9 | 177 | -177.4 | 63.6 | 0 | 0 | 0 | 111.2 | L1165 K1171 E1172 E1173 | L1165-L1169 PolarHBondContact O-N 2.97Å; L1169-K1171 VanDerWaalsContact C-N 3.28Å; L1169-K1171 PolarHBondContact O-N 3.34Å; L1169-E1172 PolarHBondContact O-N 3.25Å; L1169-E1173 WeakPolarHBondContact O-CG 3.42Å; L1169-E1173 PolarHBondContact O-N 2.99Å |
| 1170 | R | 74.4 | Confident | 72 | Confident | 180 Ų | 180 | 96 Ų | 96 | 68% | 0.679 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -59.3 | -37.1 | 176.6 | -70.6 | -175.2 | -179.7 | 170.8 | 1.5 | 113.3 | K1168 E1173 D1174 | K1168-R1170 PolarHBondContact O-N 3.08Å; R1170-E1173 WeakPolarHBondContact CA-OE2 3.14Å; R1170-E1173 WeakPolarHBondContact O-CB 3.13Å; R1170-E1173 PolarHBondContact O-N 3.4Å; R1170-D1174 WeakPolarHBondContact O-CB 3.12Å; R1170-D1174 VanDerWaalsContact O-CG 3.25Å; R1170-D1174 PolarHBondContact O-N 3.27Å |
| 1171 | K | 74.4 | Confident | 72.2 | Confident | 55 Ų | 55 | 93 Ų | 93 | 24% | 0.239 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -67.2 | -37 | 175.1 | -74.6 | -170.6 | 174.4 | -144.9 | 0 | 112.7 | S1167 K1168 L1169 E1173 D1174 E1175 | S1167-K1171 WeakPolarHBondContact O-CG 3.12Å; K1168-K1171 PolarHBondContact O-N 2.84Å; K1168-K1171 VanDerWaalsContact O-N 3.14Å; L1169-K1171 VanDerWaalsContact C-N 3.28Å; L1169-K1171 PolarHBondContact O-N 3.34Å; K1171-E1173 VanDerWaalsContact C-N 3.33Å; K1171-D1174 PolarHBondContact O-N 3.48Å; K1171-E1175 WeakPolarHBondContact O-CB 3.37Å; K1171-E1175 WeakPolarHBondContact O-CG 3.43Å; K1171-E1175 PolarHBondContact O-N 2.79Å |
| 1172 | E | 69.1 | Low | 72.3 | Confident | 92 Ų | 92 | 94.3 Ų | 94.3 | 43% | 0.43 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -71.5 | -29.3 | 174.7 | -72.6 | 174.2 | 141.1 | 0 | 0 | 111.8 | K1168 L1169 Y1176 | K1168-E1172 IonicContact NZ-OE1 3.73Å; K1168-E1172 PolarHBondContact NZ-OE1 2.83Å; K1168-E1172 IonicContact NZ-OE2 3.92Å; K1168-E1172 PolarHBondContact NZ-OE2 3.49Å; K1168-E1172 PolarHBondContact O-N 2.8Å; L1169-E1172 PolarHBondContact O-N 3.25Å; E1172-Y1176 VanDerWaalsContact O-CB 3.23Å; E1172-Y1176 WeakPolarHBondContact O-CB 3.17Å; E1172-Y1176 PolarHBondContact O-N 2.89Å |
| 1173 | E | 72.7 | Confident | 72.5 | Confident | 115 Ų | 115 | 95.3 Ų | 95.3 | 54% | 0.537 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.6 | -46 | 169.1 | -66.6 | 171.2 | 142 | 0 | 0 | 111.8 | L1169 R1170 K1171 Y1176 A1177 | L1169-E1173 WeakPolarHBondContact O-CG 3.42Å; L1169-E1173 PolarHBondContact O-N 2.99Å; R1170-E1173 WeakPolarHBondContact CA-OE2 3.14Å; R1170-E1173 WeakPolarHBondContact O-CB 3.13Å; R1170-E1173 PolarHBondContact O-N 3.4Å; K1171-E1173 VanDerWaalsContact C-N 3.33Å; E1173-Y1176 PolarHBondContact O-N 3.01Å; E1173-A1177 PolarHBondContact O-N 3.39Å; E1173-A1177 VanDerWaalsContact O-N 3.14Å |
| 1174 | D | 75.6 | Confident | 72.7 | Confident | 115 Ų | 115 | 98.3 Ų | 98.3 | 62% | 0.615 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.2 | -44.3 | 176.2 | -68.5 | -34.5 | 0 | 0 | 0 | 112 | R1170 K1171 A1177 S1178 | R1170-D1174 WeakPolarHBondContact O-CB 3.12Å; R1170-D1174 VanDerWaalsContact O-CG 3.25Å; R1170-D1174 PolarHBondContact O-N 3.27Å; K1171-D1174 PolarHBondContact O-N 3.48Å; D1174-A1177 PolarHBondContact O-N 2.79Å; D1174-S1178 PolarHBondContact O-N 3.29Å |
| 1175 | E | 73.1 | Confident | 72.8 | Confident | 95 Ų | 95 | 100.8 Ų | 100.8 | 44% | 0.444 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 176.3 | -77.1 | 169.6 | -162.5 | 0 | 0 | 111 | K1171 A1177 S1178 I1179 | K1171-E1175 WeakPolarHBondContact O-CB 3.37Å; K1171-E1175 WeakPolarHBondContact O-CG 3.43Å; K1171-E1175 PolarHBondContact O-N 2.79Å; E1175-A1177 VanDerWaalsContact C-N 3.33Å; E1175-A1177 PolarHBondContact O-N 3.28Å; E1175-S1178 PolarHBondContact O-N 3.14Å; E1175-I1179 VanDerWaalsContact O-CG1 3.3Å; E1175-I1179 WeakPolarHBondContact O-CG1 3.37Å; E1175-I1179 PolarHBondContact O-N 2.66Å |
| 1176 | Y | 70 | Confident | 72.7 | Confident | 162 Ų | 162 | 98.9 Ų | 98.9 | 64% | 0.635 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.1 | -36.9 | 176.9 | -169.6 | -96.3 | 0 | 0 | 0 | 112.3 | E1172 E1173 L1180 | E1172-Y1176 VanDerWaalsContact O-CB 3.23Å; E1172-Y1176 WeakPolarHBondContact O-CB 3.17Å; E1172-Y1176 PolarHBondContact O-N 2.89Å; E1173-Y1176 PolarHBondContact O-N 3.01Å; Y1176-L1180 HydrophobicContact CD1-CD1 4.05Å; Y1176-L1180 HydrophobicContact CE1-CD1 3.61Å; Y1176-L1180 PolarHBondContact O-N 2.96Å; Y1176-L1180 VanDerWaalsContact O-N 3.17Å |
| 1177 | A | 74.5 | Confident | 73 | Confident | 61 Ų | 61 | 100.5 Ų | 100.5 | 50% | 0.504 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.7 | -39.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E1173 D1174 E1175 L1180 S1181 | E1173-A1177 PolarHBondContact O-N 3.39Å; E1173-A1177 VanDerWaalsContact O-N 3.14Å; D1174-A1177 PolarHBondContact O-N 2.79Å; E1175-A1177 VanDerWaalsContact C-N 3.33Å; E1175-A1177 PolarHBondContact O-N 3.28Å; A1177-L1180 PolarHBondContact O-N 3.17Å; A1177-S1181 PolarHBondContact O-N 3.34Å |
| 1178 | S | 74.2 | Confident | 73.1 | Confident | 57 Ų | 57 | 100.1 Ų | 100.1 | 40% | 0.399 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.9 | -49.3 | 174.7 | -163.5 | 0 | 0 | 0 | 0 | 111.7 | D1174 E1175 L1180 S1181 E1182 | D1174-S1178 PolarHBondContact O-N 3.29Å; E1175-S1178 PolarHBondContact O-N 3.14Å; S1178-L1180 VanDerWaalsContact C-N 3.29Å; S1178-L1180 PolarHBondContact O-N 2.78Å; S1178-S1181 WeakPolarHBondContact O-CB 3.32Å; S1178-S1181 PolarHBondContact O-N 2.9Å; S1178-E1182 PolarHBondContact O-N 3.43Å; S1178-E1182 PolarHBondContact OG-OE1 2.85Å |
| 1179 | I | 72 | Confident | 73.1 | Confident | 102 Ų | 102 | 103.6 Ų | 103.6 | 52% | 0.523 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.9 | -38.5 | -179.2 | -68.5 | 164 | 0 | 0 | 0 | 111.4 | E1175 E1182 L1183 | E1175-I1179 VanDerWaalsContact O-CG1 3.3Å; E1175-I1179 WeakPolarHBondContact O-CG1 3.37Å; E1175-I1179 PolarHBondContact O-N 2.66Å; I1179-E1182 PolarHBondContact O-N 3.01Å; I1179-L1183 WeakPolarHBondContact O-CB 3.34Å; I1179-L1183 PolarHBondContact O-N 3.36Å |
| 1180 | L | 75.1 | Confident | 73.2 | Confident | 89 Ų | 89 | 104.4 Ų | 104.4 | 47% | 0.466 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.6 | -39.5 | 175.3 | -106.1 | 162.2 | 0 | 0 | 0 | 112.7 | Y1176 A1177 S1178 Q1184 | Y1176-L1180 HydrophobicContact CD1-CD1 4.05Å; Y1176-L1180 HydrophobicContact CE1-CD1 3.61Å; Y1176-L1180 PolarHBondContact O-N 2.96Å; Y1176-L1180 VanDerWaalsContact O-N 3.17Å; A1177-L1180 PolarHBondContact O-N 3.17Å; S1178-L1180 VanDerWaalsContact C-N 3.29Å; S1178-L1180 PolarHBondContact O-N 2.78Å; L1180-Q1184 WeakPolarHBondContact O-CB 3.15Å; L1180-Q1184 PolarHBondContact O-N 3.15Å |
| 1181 | S | 75.3 | Confident | 73.2 | Confident | 78 Ų | 78 | 102.1 Ų | 102.1 | 55% | 0.545 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.5 | -47.4 | 175.6 | -167.3 | 0 | 0 | 0 | 0 | 111.6 | A1177 S1178 L1183 Q1184 Q1185 | A1177-S1181 PolarHBondContact O-N 3.34Å; S1178-S1181 WeakPolarHBondContact O-CB 3.32Å; S1178-S1181 PolarHBondContact O-N 2.9Å; S1181-L1183 PolarHBondContact O-N 2.76Å; S1181-Q1184 PolarHBondContact O-N 2.82Å; S1181-Q1185 PolarHBondContact O-N 3.28Å |
| 1182 | E | 70.3 | Confident | 73.3 | Confident | 101 Ų | 101 | 105.7 Ų | 105.7 | 47% | 0.472 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.2 | -44.6 | 177.3 | -72.7 | 170 | -139.3 | 0 | 0 | 112 | S1178 I1179 Q1184 Q1185 A1186 | S1178-E1182 PolarHBondContact O-N 3.43Å; S1178-E1182 PolarHBondContact OG-OE1 2.85Å; I1179-E1182 PolarHBondContact O-N 3.01Å; E1182-Q1184 VanDerWaalsContact C-N 3.3Å; E1182-Q1184 PolarHBondContact O-N 3.19Å; E1182-Q1185 PolarHBondContact O-N 3.42Å; E1182-A1186 WeakPolarHBondContact O-CB 3.4Å; E1182-A1186 PolarHBondContact O-N 3.49Å |
| 1183 | L | 73.3 | Confident | 73.3 | Confident | 123 Ų | 123 | 107 Ų | 107 | 64% | 0.644 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.1 | -38.9 | 177.2 | -162.9 | 86.6 | 0 | 0 | 0 | 111.9 | I1179 S1181 K1187 | I1179-L1183 WeakPolarHBondContact O-CB 3.34Å; I1179-L1183 PolarHBondContact O-N 3.36Å; S1181-L1183 PolarHBondContact O-N 2.76Å; L1183-K1187 PolarHBondContact O-N 3.28Å |
| 1184 | Q | 75.9 | Confident | 73.4 | Confident | 150 Ų | 150 | 106.5 Ų | 106.5 | 70% | 0.701 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -73.3 | -32.2 | 179.4 | -168.3 | 164 | -15.2 | 0 | 0 | 112.2 | L1180 S1181 E1182 S1188 | L1180-Q1184 WeakPolarHBondContact O-CB 3.15Å; L1180-Q1184 PolarHBondContact O-N 3.15Å; S1181-Q1184 PolarHBondContact O-N 2.82Å; E1182-Q1184 VanDerWaalsContact C-N 3.3Å; E1182-Q1184 PolarHBondContact O-N 3.19Å; Q1184-S1188 PolarHBondContact O-N 3.03Å |
| 1185 | Q | 73.6 | Confident | 73.5 | Confident | 116 Ų | 116 | 107.7 Ų | 107.7 | 54% | 0.542 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -75.3 | -33.7 | 172.9 | -164.7 | -178.4 | 26 | 0 | 0 | 112.8 | S1181 E1182 S1188 R1189 | S1181-Q1185 PolarHBondContact O-N 3.28Å; E1182-Q1185 PolarHBondContact O-N 3.42Å; Q1185-S1188 PolarHBondContact O-OG 3.3Å; Q1185-R1189 PolarHBondContact O-N 3.29Å |
| 1186 | A | 66.3 | Low | 73.4 | Confident | 58 Ų | 58 | 105.6 Ų | 105.6 | 48% | 0.479 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | E1182 S1188 R1189 E1190 | E1182-A1186 WeakPolarHBondContact O-CB 3.4Å; E1182-A1186 PolarHBondContact O-N 3.49Å; A1186-S1188 PolarHBondContact O-N 2.85Å; A1186-R1189 PolarHBondContact O-N 3.01Å; A1186-E1190 PolarHBondContact O-N 3.46Å |
| 1187 | K | 77.3 | Confident | 73.5 | Confident | 137 Ų | 137 | 101.1 Ų | 101.1 | 60% | 0.596 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.6 | -34 | -179.6 | -171.8 | 172.4 | -177.6 | 175 | 0 | 113.9 | L1183 Q1191 | L1183-K1187 PolarHBondContact O-N 3.28Å; K1187-Q1191 PolarHBondContact O-N 3.32Å |
| 1188 | S | 76 | Confident | 73.6 | Confident | 55 Ų | 55 | 102.9 Ų | 102.9 | 39% | 0.385 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -73 | -37.7 | 175.6 | 58.9 | 0 | 0 | 0 | 0 | 112.2 | Q1184 Q1185 A1186 Q1191 Q1192 | Q1184-S1188 PolarHBondContact O-N 3.03Å; Q1185-S1188 PolarHBondContact O-OG 3.3Å; A1186-S1188 PolarHBondContact O-N 2.85Å; S1188-Q1191 PolarHBondContact O-N 3.27Å; S1188-Q1192 WeakPolarHBondContact O-CG 3.48Å; S1188-Q1192 PolarHBondContact O-N 2.81Å; S1188-Q1192 VanDerWaalsContact O-N 3.12Å |
| 1189 | R | 73.5 | Confident | 73.7 | Confident | 131 Ų | 131 | 103.4 Ų | 103.4 | 49% | 0.494 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 169.4 | -93.3 | 178.7 | 162 | 152 | -7.2 | 112.2 | Q1185 A1186 Q1191 Q1192 L1193 | Q1185-R1189 PolarHBondContact O-N 3.29Å; A1186-R1189 PolarHBondContact O-N 3.01Å; R1189-Q1191 PolarHBondContact O-N 2.99Å; R1189-Q1192 PolarHBondContact O-N 2.79Å; R1189-L1193 WeakPolarHBondContact O-CG 3.2Å; R1189-L1193 PolarHBondContact O-N 3.39Å |
| 1190 | E | 70.9 | Confident | 73.8 | Confident | 121 Ų | 121 | 104 Ų | 104 | 57% | 0.565 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -58.8 | -45.4 | 176.5 | -174.3 | -179.3 | -156.5 | 0 | 0 | 111.9 | A1186 Q1192 L1193 L1194 | A1186-E1190 PolarHBondContact O-N 3.46Å; E1190-Q1192 PolarHBondContact O-N 2.86Å; E1190-L1193 PolarHBondContact O-N 3.44Å; E1190-L1194 PolarHBondContact O-N 2.87Å |
| 1191 | Q | 74.4 | Confident | 73.8 | Confident | 132 Ų | 132 | 104.1 Ų | 104.1 | 62% | 0.617 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.1 | -38.9 | 176 | -72.9 | -167.8 | -76.8 | 0 | 0 | 113.1 | K1187 S1188 R1189 L1194 Q1195 | K1187-Q1191 PolarHBondContact O-N 3.32Å; S1188-Q1191 PolarHBondContact O-N 3.27Å; R1189-Q1191 PolarHBondContact O-N 2.99Å; Q1191-L1194 PolarHBondContact O-N 2.92Å; Q1191-Q1195 PolarHBondContact O-N 3.49Å; Q1191-Q1195 VanDerWaalsContact O-N 3.07Å |
| 1192 | Q | 76 | Confident | 73.9 | Confident | 129 Ų | 129 | 107.1 Ų | 107.1 | 60% | 0.603 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.5 | -42.3 | 176.2 | -72.8 | 174.2 | -19.8 | 0 | 0 | 111.8 | S1188 R1189 E1190 Q1195 A1196 | S1188-Q1192 WeakPolarHBondContact O-CG 3.48Å; S1188-Q1192 PolarHBondContact O-N 2.81Å; S1188-Q1192 VanDerWaalsContact O-N 3.12Å; R1189-Q1192 PolarHBondContact O-N 2.79Å; E1190-Q1192 PolarHBondContact O-N 2.86Å; Q1192-Q1195 PolarHBondContact O-N 3.38Å; Q1192-A1196 PolarHBondContact O-N 3.45Å |
| 1193 | L | 69.6 | Low | 74.2 | Confident | 120 Ų | 120 | 107.4 Ų | 107.4 | 63% | 0.628 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.6 | -42.6 | 176.4 | -72.1 | 168.5 | 0 | 0 | 0 | 112.1 | R1189 E1190 Q1195 A1196 V1197 | R1189-L1193 WeakPolarHBondContact O-CG 3.2Å; R1189-L1193 PolarHBondContact O-N 3.39Å; E1190-L1193 PolarHBondContact O-N 3.44Å; L1193-Q1195 VanDerWaalsContact C-N 3.31Å; L1193-Q1195 PolarHBondContact O-N 3.42Å; L1193-A1196 PolarHBondContact O-N 3.32Å; L1193-V1197 WeakPolarHBondContact O-CG2 3.35Å; L1193-V1197 PolarHBondContact O-N 3.46Å |
| 1194 | L | 74.8 | Confident | 74.3 | Confident | 105 Ų | 105 | 108.9 Ų | 108.9 | 55% | 0.55 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -57 | -44.6 | 173.4 | -105.8 | 158.2 | 0 | 0 | 0 | 111.9 | E1190 Q1191 V1197 E1198 | E1190-L1194 PolarHBondContact O-N 2.87Å; Q1191-L1194 PolarHBondContact O-N 2.92Å; L1194-V1197 PolarHBondContact O-N 3.23Å; L1194-E1198 PolarHBondContact O-N 3.15Å |
| 1195 | Q | 77 | Confident | 74.5 | Confident | 139 Ų | 139 | 106.5 Ų | 106.5 | 65% | 0.65 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.1 | -37.2 | -179.7 | -158.1 | 167.7 | 29.3 | 0 | 0 | 112.4 | Q1191 Q1192 L1193 E1198 T1199 | Q1191-Q1195 PolarHBondContact O-N 3.49Å; Q1191-Q1195 VanDerWaalsContact O-N 3.07Å; Q1192-Q1195 PolarHBondContact O-N 3.38Å; L1193-Q1195 VanDerWaalsContact C-N 3.31Å; L1193-Q1195 PolarHBondContact O-N 3.42Å; Q1195-E1198 PolarHBondContact O-N 3.44Å; Q1195-T1199 PolarHBondContact O-N 3.1Å; Q1195-T1199 PolarHBondContact O-OG1 2.83Å |
| 1196 | A | 72.3 | Confident | 74.6 | Confident | 51 Ų | 51 | 103.8 Ų | 103.8 | 42% | 0.421 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67 | -36.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q1192 L1193 E1198 T1199 M1200 | Q1192-A1196 PolarHBondContact O-N 3.45Å; L1193-A1196 PolarHBondContact O-N 3.32Å; A1196-E1198 VanDerWaalsContact C-N 3.35Å; A1196-T1199 WeakPolarHBondContact CA-OG1 3.49Å; A1196-T1199 PolarHBondContact O-N 3.43Å; A1196-T1199 PolarHBondContact O-OG1 3.43Å; A1196-M1200 WeakPolarHBondContact O-CB 3.28Å; A1196-M1200 PolarHBondContact O-N 2.79Å |
| 1197 | V | 71.5 | Confident | 75 | Confident | 68 Ų | 68 | 106.1 Ų | 106.1 | 41% | 0.412 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.3 | -36.4 | 173.9 | 168.9 | 0 | 0 | 0 | 0 | 111.3 | L1193 L1194 M1200 N1201 | L1193-V1197 WeakPolarHBondContact O-CG2 3.35Å; L1193-V1197 PolarHBondContact O-N 3.46Å; L1194-V1197 PolarHBondContact O-N 3.23Å; V1197-M1200 HydrophobicContact CG2-CE 4.3Å; V1197-N1201 WeakPolarHBondContact O-CB 3.45Å; V1197-N1201 PolarHBondContact O-N 2.77Å; V1197-N1201 PolarHBondContact O-ND2 3.5Å |
| 1198 | E | 76.4 | Confident | 75 | Confident | 99 Ų | 99 | 103 Ų | 103 | 46% | 0.463 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 173 | -77 | -165.1 | -169.3 | 0 | 0 | 113.2 | L1194 Q1195 A1196 N1201 R1202 | L1194-E1198 PolarHBondContact O-N 3.15Å; Q1195-E1198 PolarHBondContact O-N 3.44Å; A1196-E1198 VanDerWaalsContact C-N 3.35Å; E1198-N1201 PolarHBondContact O-N 3.35Å; E1198-R1202 WeakPolarHBondContact O-CG 3.49Å; E1198-R1202 PolarHBondContact O-N 2.79Å; E1198-R1202 IonicContact OE2-CZ 2.68Å; E1198-R1202 IonicContact OE2-NH1 2.6Å; E1198-R1202 PolarHBondContact OE2-NH1 3.3Å; E1198-R1202 IonicContact OE2-NH2 2.66Å; E1198-R1202 PolarHBondContact OE2-NH2 2.91Å |
| 1199 | T | 76.9 | Confident | 75.1 | Confident | 67 Ų | 67 | 106.4 Ų | 106.4 | 41% | 0.411 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.9 | -48.9 | 175.8 | 37.8 | 0 | 0 | 0 | 0 | 111.2 | Q1195 A1196 N1201 R1202 D1203 | Q1195-T1199 PolarHBondContact O-N 3.1Å; Q1195-T1199 PolarHBondContact O-OG1 2.83Å; A1196-T1199 WeakPolarHBondContact CA-OG1 3.49Å; A1196-T1199 PolarHBondContact O-N 3.43Å; A1196-T1199 PolarHBondContact O-OG1 3.43Å; T1199-N1201 PolarHBondContact O-N 3.38Å; T1199-N1201 VanDerWaalsContact O-N 3.16Å; T1199-R1202 WeakPolarHBondContact O-CA 3.23Å; T1199-R1202 WeakPolarHBondContact O-CB 3.44Å; T1199-R1202 PolarHBondContact O-N 3.25Å; T1199-D1203 VanDerWaalsContact O-CG 3.24Å; T1199-D1203 PolarHBondContact O-N 2.73Å |
| 1200 | M | 73.1 | Confident | 75.2 | Confident | 116 Ų | 116 | 103 Ų | 103 | 57% | 0.571 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -57.3 | -34.7 | 177.9 | -178.2 | 173.4 | 56.6 | 0 | 0 | 112.9 | A1196 V1197 R1204 | A1196-M1200 WeakPolarHBondContact O-CB 3.28Å; A1196-M1200 PolarHBondContact O-N 2.79Å; V1197-M1200 HydrophobicContact CG2-CE 4.3Å; M1200-R1204 VanDerWaalsContact O-CB 3.26Å; M1200-R1204 WeakPolarHBondContact O-CB 3.38Å; M1200-R1204 PolarHBondContact O-N 3.25Å |
| 1201 | N | 75.8 | Confident | 75.4 | Confident | 90 Ų | 90 | 100.9 Ų | 100.9 | 48% | 0.481 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.7 | -33.1 | 174 | -78.3 | -42.3 | 0 | 0 | 0 | 113.4 | V1197 E1198 T1199 L1205 | V1197-N1201 WeakPolarHBondContact O-CB 3.45Å; V1197-N1201 PolarHBondContact O-N 2.77Å; V1197-N1201 PolarHBondContact O-ND2 3.5Å; E1198-N1201 PolarHBondContact O-N 3.35Å; T1199-N1201 PolarHBondContact O-N 3.38Å; T1199-N1201 VanDerWaalsContact O-N 3.16Å; N1201-L1205 WeakPolarHBondContact O-CB 3.4Å; N1201-L1205 PolarHBondContact O-N 3.27Å |
| 1202 | R | 77.7 | Confident | 75.6 | Confident | 142 Ų | 142 | 98.1 Ų | 98.1 | 54% | 0.536 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.3 | -45.5 | 173.5 | -67.9 | 175.4 | -171.6 | 105.4 | 7.8 | 110.9 | E1198 T1199 R1204 L1205 A1206 | E1198-R1202 WeakPolarHBondContact O-CG 3.49Å; E1198-R1202 PolarHBondContact O-N 2.79Å; E1198-R1202 IonicContact OE2-CZ 2.68Å; E1198-R1202 IonicContact OE2-NH1 2.6Å; E1198-R1202 PolarHBondContact OE2-NH1 3.3Å; E1198-R1202 IonicContact OE2-NH2 2.66Å; E1198-R1202 PolarHBondContact OE2-NH2 2.91Å; T1199-R1202 WeakPolarHBondContact O-CA 3.23Å; T1199-R1202 WeakPolarHBondContact O-CB 3.44Å; T1199-R1202 PolarHBondContact O-N 3.25Å; R1202-R1204 PolarHBondContact O-N 2.77Å; R1202-L1205 PolarHBondContact O-N 2.95Å; R1202-L1205 VanDerWaalsContact O-N 3.12Å; R1202-A1206 PolarHBondContact O-N 3.47Å |
| 1203 | D | 76.4 | Confident | 75.7 | Confident | 107 Ų | 107 | 95.6 Ų | 95.6 | 57% | 0.572 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.5 | -41.6 | -179 | -57.7 | -29 | 0 | 0 | 0 | 111 | T1199 L1205 A1206 L1207 | T1199-D1203 VanDerWaalsContact O-CG 3.24Å; T1199-D1203 PolarHBondContact O-N 2.73Å; D1203-L1205 PolarHBondContact O-N 3.45Å; D1203-A1206 PolarHBondContact O-N 3.25Å; D1203-L1207 PolarHBondContact O-N 2.97Å |
| 1204 | R | 75.6 | Confident | 76 | Confident | 153 Ų | 153 | 93.1 Ų | 93.1 | 58% | 0.577 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -57.6 | -45.2 | 170.4 | 177 | 179.6 | 173.4 | 157.9 | 6.3 | 112.2 | M1200 R1202 A1206 L1207 D1208 | M1200-R1204 VanDerWaalsContact O-CB 3.26Å; M1200-R1204 WeakPolarHBondContact O-CB 3.38Å; M1200-R1204 PolarHBondContact O-N 3.25Å; R1202-R1204 PolarHBondContact O-N 2.77Å; R1204-A1206 VanDerWaalsContact C-N 3.3Å; R1204-A1206 PolarHBondContact O-N 3.42Å; R1204-L1207 WeakPolarHBondContact O-CB 3.32Å; R1204-L1207 PolarHBondContact O-N 3.24Å; R1204-L1207 VanDerWaalsContact O-N 3.13Å; R1204-D1208 IonicContact NE-OD2 2.75Å; R1204-D1208 PolarHBondContact O-N 2.93Å |
| 1205 | L | 78.8 | Confident | 76.1 | Confident | 101 Ų | 101 | 93.9 Ų | 93.9 | 53% | 0.529 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.3 | -32.1 | -177.1 | -156.6 | 153.8 | 0 | 0 | 0 | 111.5 | N1201 R1202 D1203 Q1209 | N1201-L1205 WeakPolarHBondContact O-CB 3.4Å; N1201-L1205 PolarHBondContact O-N 3.27Å; R1202-L1205 PolarHBondContact O-N 2.95Å; R1202-L1205 VanDerWaalsContact O-N 3.12Å; D1203-L1205 PolarHBondContact O-N 3.45Å; L1205-Q1209 WeakPolarHBondContact O-CG 3.42Å; L1205-Q1209 PolarHBondContact O-N 3.42Å |
| 1206 | A | 77.1 | Confident | 76.2 | Confident | 58 Ų | 58 | 90.4 Ų | 90.4 | 48% | 0.479 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68 | -40 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R1202 D1203 R1204 Q1209 A1210 | R1202-A1206 PolarHBondContact O-N 3.47Å; D1203-A1206 PolarHBondContact O-N 3.25Å; R1204-A1206 VanDerWaalsContact C-N 3.3Å; R1204-A1206 PolarHBondContact O-N 3.42Å; A1206-Q1209 PolarHBondContact O-N 3.21Å; A1206-A1210 PolarHBondContact O-N 3Å |
| 1207 | L | 74.9 | Confident | 76.6 | Confident | 107 Ų | 107 | 94 Ų | 94 | 56% | 0.56 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.8 | -45.9 | 175.3 | -169.9 | 73.7 | 0 | 0 | 0 | 111.9 | D1203 R1204 Q1209 A1210 I1211 | D1203-L1207 PolarHBondContact O-N 2.97Å; R1204-L1207 WeakPolarHBondContact O-CB 3.32Å; R1204-L1207 PolarHBondContact O-N 3.24Å; R1204-L1207 VanDerWaalsContact O-N 3.13Å; L1207-Q1209 PolarHBondContact O-N 3.38Å; L1207-A1210 PolarHBondContact O-N 3.19Å; L1207-A1210 VanDerWaalsContact O-N 3.13Å; L1207-I1211 HydrophobicContact CD2-CD1 4.45Å; L1207-I1211 HydrophobicContact CG-CD1 4.02Å; L1207-I1211 WeakPolarHBondContact O-CG1 3.38Å; L1207-I1211 PolarHBondContact O-N 3.23Å |
| 1208 | D | 77 | Confident | 76.9 | Confident | 72 Ų | 72 | 97.7 Ų | 97.7 | 39% | 0.385 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.9 | -35.3 | 177 | -70.8 | -24.2 | 0 | 0 | 0 | 111 | R1204 S1212 | R1204-D1208 IonicContact NE-OD2 2.75Å; R1204-D1208 PolarHBondContact O-N 2.93Å; D1208-S1212 WeakPolarHBondContact O-CB 3.37Å; D1208-S1212 PolarHBondContact O-N 3.42Å; D1208-S1212 VanDerWaalsContact O-N 3.09Å; D1208-S1212 PolarHBondContact O-OG 3.4Å |
| 1209 | Q | 78.3 | Confident | 76.9 | Confident | 127 Ų | 127 | 98.9 Ų | 98.9 | 59% | 0.593 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -70.2 | -43.2 | 172.3 | -73.9 | 178.1 | 8.9 | 0 | 0 | 113 | L1205 A1206 L1207 S1212 S1213 | L1205-Q1209 WeakPolarHBondContact O-CG 3.42Å; L1205-Q1209 PolarHBondContact O-N 3.42Å; A1206-Q1209 PolarHBondContact O-N 3.21Å; L1207-Q1209 PolarHBondContact O-N 3.38Å; Q1209-S1212 PolarHBondContact O-N 2.97Å; Q1209-S1213 PolarHBondContact O-N 3.36Å |
| 1210 | A | 74.9 | Confident | 77.1 | Confident | 58 Ų | 58 | 101.9 Ų | 101.9 | 48% | 0.479 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | A1206 L1207 S1213 S1214 | A1206-A1210 PolarHBondContact O-N 3Å; L1207-A1210 PolarHBondContact O-N 3.19Å; L1207-A1210 VanDerWaalsContact O-N 3.13Å; A1210-S1213 PolarHBondContact O-N 3.15Å; A1210-S1214 PolarHBondContact O-N 3.4Å |
| 1211 | I | 75.1 | Confident | 77.5 | Confident | 77 Ų | 77 | 100.6 Ų | 100.6 | 40% | 0.395 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.6 | -50.2 | 173.2 | -68 | 166.9 | 0 | 0 | 0 | 110 | L1207 S1213 S1214 E1215 | L1207-I1211 HydrophobicContact CD2-CD1 4.45Å; L1207-I1211 HydrophobicContact CG-CD1 4.02Å; L1207-I1211 WeakPolarHBondContact O-CG1 3.38Å; L1207-I1211 PolarHBondContact O-N 3.23Å; I1211-S1213 VanDerWaalsContact C-N 3.26Å; I1211-S1213 PolarHBondContact O-N 3.45Å; I1211-S1214 PolarHBondContact O-N 3.5Å; I1211-S1214 VanDerWaalsContact O-N 3.09Å; I1211-E1215 HydrophobicContact CG2-CG 4.29Å; I1211-E1215 WeakPolarHBondContact O-CG 3.21Å; I1211-E1215 PolarHBondContact O-N 3.45Å |
| 1212 | S | 78.7 | Confident | 77.8 | Confident | 75 Ų | 75 | 100.5 Ų | 100.5 | 52% | 0.524 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -56.5 | -39.4 | 178.4 | -59.7 | 0 | 0 | 0 | 0 | 112.7 | D1208 Q1209 S1216 | D1208-S1212 WeakPolarHBondContact O-CB 3.37Å; D1208-S1212 PolarHBondContact O-N 3.42Å; D1208-S1212 VanDerWaalsContact O-N 3.09Å; D1208-S1212 PolarHBondContact O-OG 3.4Å; Q1209-S1212 PolarHBondContact O-N 2.97Å; S1212-S1216 PolarHBondContact O-N 2.79Å |
| 1213 | S | 78.6 | Confident | 78 | Confident | 76 Ų | 76 | 99.8 Ų | 99.8 | 53% | 0.531 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.7 | -49.5 | 174.9 | -167.1 | 0 | 0 | 0 | 0 | 111.5 | Q1209 A1210 I1211 E1215 S1216 E1217 | Q1209-S1213 PolarHBondContact O-N 3.36Å; A1210-S1213 PolarHBondContact O-N 3.15Å; I1211-S1213 VanDerWaalsContact C-N 3.26Å; I1211-S1213 PolarHBondContact O-N 3.45Å; S1213-E1215 PolarHBondContact O-N 3.3Å; S1213-S1216 PolarHBondContact O-N 3.22Å; S1213-S1216 VanDerWaalsContact O-N 3.17Å; S1213-S1216 PolarHBondContact O-OG 3.27Å; S1213-E1217 PolarHBondContact O-N 3.16Å |
| 1214 | S | 76.1 | Confident | 78.2 | Confident | 68 Ų | 68 | 100.2 Ų | 100.2 | 48% | 0.476 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64 | -37.3 | -179.1 | -172 | 0 | 0 | 0 | 0 | 112.9 | A1210 I1211 S1216 E1217 K1218 | A1210-S1214 PolarHBondContact O-N 3.4Å; I1211-S1214 PolarHBondContact O-N 3.5Å; I1211-S1214 VanDerWaalsContact O-N 3.09Å; S1214-S1216 VanDerWaalsContact C-N 3.34Å; S1214-E1217 PolarHBondContact O-N 2.68Å; S1214-K1218 VanDerWaalsContact O-CB 3.27Å; S1214-K1218 WeakPolarHBondContact O-CB 3.36Å; S1214-K1218 PolarHBondContact O-N 3.47Å |
| 1215 | E | 76.4 | Confident | 78.4 | Confident | 121 Ų | 121 | 97.3 Ų | 97.3 | 57% | 0.565 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.9 | -36.5 | 174.1 | -70.2 | -168.6 | 149.9 | 0 | 0 | 112.3 | I1211 S1213 L1219 | I1211-E1215 HydrophobicContact CG2-CG 4.29Å; I1211-E1215 WeakPolarHBondContact O-CG 3.21Å; I1211-E1215 PolarHBondContact O-N 3.45Å; S1213-E1215 PolarHBondContact O-N 3.3Å; E1215-L1219 WeakPolarHBondContact O-CB 3.19Å; E1215-L1219 PolarHBondContact O-N 3.24Å |
| 1216 | S | 78.5 | Confident | 78.5 | Confident | 66 Ų | 66 | 96.8 Ų | 96.8 | 46% | 0.462 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.4 | -40.3 | 175.4 | 80.6 | 0 | 0 | 0 | 0 | 112.7 | S1212 S1213 S1214 L1219 M1220 | S1212-S1216 PolarHBondContact O-N 2.79Å; S1213-S1216 PolarHBondContact O-N 3.22Å; S1213-S1216 VanDerWaalsContact O-N 3.17Å; S1213-S1216 PolarHBondContact O-OG 3.27Å; S1214-S1216 VanDerWaalsContact C-N 3.34Å; S1216-L1219 PolarHBondContact O-N 3.48Å; S1216-M1220 WeakPolarHBondContact O-CG 3.38Å; S1216-M1220 PolarHBondContact O-N 2.81Å |
| 1217 | E | 80.7 | Confident | 78.8 | Confident | 125 Ų | 125 | 97.7 Ų | 97.7 | 58% | 0.584 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.2 | -43.5 | 175.5 | -177.1 | 173.8 | -151.7 | 0 | 0 | 111.2 | S1213 S1214 L1219 M1220 L1221 | S1213-E1217 PolarHBondContact O-N 3.16Å; S1214-E1217 PolarHBondContact O-N 2.68Å; E1217-L1219 VanDerWaalsContact C-N 3.33Å; E1217-L1219 PolarHBondContact O-N 3.29Å; E1217-M1220 WeakPolarHBondContact O-CB 3.3Å; E1217-M1220 PolarHBondContact O-N 3.36Å; E1217-M1220 VanDerWaalsContact O-N 3.14Å; E1217-L1221 HydrophobicContact CG-CD1 4.3Å; E1217-L1221 WeakPolarHBondContact O-CG 3.47Å; E1217-L1221 PolarHBondContact O-N 3.18Å |
| 1218 | K | 78.7 | Confident | 79.3 | Confident | 146 Ų | 146 | 96.6 Ų | 96.6 | 64% | 0.635 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.3 | -39.7 | 174.2 | -175.1 | 179.7 | 178 | -175.2 | 0 | 112.4 | S1214 L1221 V1222 | S1214-K1218 VanDerWaalsContact O-CB 3.27Å; S1214-K1218 WeakPolarHBondContact O-CB 3.36Å; S1214-K1218 PolarHBondContact O-N 3.47Å; K1218-L1221 PolarHBondContact O-N 3.03Å; K1218-V1222 WeakPolarHBondContact O-CB 3.42Å; K1218-V1222 VanDerWaalsContact O-CG2 3.27Å; K1218-V1222 WeakPolarHBondContact O-CG2 3.34Å; K1218-V1222 PolarHBondContact O-N 3.48Å |
| 1219 | L | 75.2 | Confident | 79.4 | Confident | 124 Ų | 124 | 98.9 Ų | 98.9 | 65% | 0.649 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.5 | -39.4 | 173.7 | -86.3 | 163.1 | 0 | 0 | 0 | 112.4 | E1215 S1216 E1217 K1223 | E1215-L1219 WeakPolarHBondContact O-CB 3.19Å; E1215-L1219 PolarHBondContact O-N 3.24Å; S1216-L1219 PolarHBondContact O-N 3.48Å; E1217-L1219 VanDerWaalsContact C-N 3.33Å; E1217-L1219 PolarHBondContact O-N 3.29Å; L1219-K1223 PolarHBondContact O-N 3.34Å; L1219-K1223 VanDerWaalsContact O-N 3.1Å |
| 1220 | M | 81.9 | Confident | 79.7 | Confident | 131 Ų | 131 | 96.4 Ų | 96.4 | 65% | 0.645 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.2 | -46.9 | 174.3 | -73.7 | -67.6 | -67.4 | 0 | 0 | 111.9 | S1216 E1217 V1222 K1223 E1224 | S1216-M1220 WeakPolarHBondContact O-CG 3.38Å; S1216-M1220 PolarHBondContact O-N 2.81Å; E1217-M1220 WeakPolarHBondContact O-CB 3.3Å; E1217-M1220 PolarHBondContact O-N 3.36Å; E1217-M1220 VanDerWaalsContact O-N 3.14Å; M1220-V1222 PolarHBondContact O-N 2.75Å; M1220-K1223 WeakPolarHBondContact O-CB 3.28Å; M1220-K1223 PolarHBondContact O-N 2.8Å; M1220-E1224 PolarHBondContact O-N 3.31Å |
| 1221 | L | 81.4 | Confident | 80 | Confident | 89 Ų | 89 | 97.8 Ų | 97.8 | 47% | 0.466 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.5 | -40 | 177.5 | -70.3 | 169.7 | 0 | 0 | 0 | 112.5 | E1217 K1218 K1223 E1224 I1225 | E1217-L1221 HydrophobicContact CG-CD1 4.3Å; E1217-L1221 WeakPolarHBondContact O-CG 3.47Å; E1217-L1221 PolarHBondContact O-N 3.18Å; K1218-L1221 PolarHBondContact O-N 3.03Å; L1221-K1223 VanDerWaalsContact C-N 3.3Å; L1221-K1223 PolarHBondContact O-N 3.29Å; L1221-E1224 PolarHBondContact O-N 2.7Å; L1221-I1225 WeakPolarHBondContact O-CB 3.26Å; L1221-I1225 WeakPolarHBondContact O-CD1 3.23Å; L1221-I1225 VanDerWaalsContact O-CG1 3.26Å; L1221-I1225 WeakPolarHBondContact O-CG1 3.16Å; L1221-I1225 PolarHBondContact O-N 3.42Å |
| 1222 | V | 81.4 | Confident | 80.4 | Confident | 87 Ų | 87 | 98.2 Ų | 98.2 | 53% | 0.527 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.8 | -38.9 | 174.2 | 166 | 0 | 0 | 0 | 0 | 111.3 | K1218 M1220 Q1226 | K1218-V1222 WeakPolarHBondContact O-CB 3.42Å; K1218-V1222 VanDerWaalsContact O-CG2 3.27Å; K1218-V1222 WeakPolarHBondContact O-CG2 3.34Å; K1218-V1222 PolarHBondContact O-N 3.48Å; M1220-V1222 PolarHBondContact O-N 2.75Å; V1222-Q1226 PolarHBondContact O-N 3.44Å; V1222-Q1226 VanDerWaalsContact O-N 3.12Å |
| 1223 | K | 81.8 | Confident | 80.5 | Confident | 128 Ų | 128 | 100 Ų | 100 | 56% | 0.557 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.7 | -46.6 | 175.3 | -174.8 | -177.2 | 174 | -172.2 | 0 | 111.8 | L1219 M1220 L1221 I1225 Q1226 D1227 | L1219-K1223 PolarHBondContact O-N 3.34Å; L1219-K1223 VanDerWaalsContact O-N 3.1Å; M1220-K1223 WeakPolarHBondContact O-CB 3.28Å; M1220-K1223 PolarHBondContact O-N 2.8Å; L1221-K1223 VanDerWaalsContact C-N 3.3Å; L1221-K1223 PolarHBondContact O-N 3.29Å; K1223-I1225 VanDerWaalsContact C-N 3.35Å; K1223-I1225 PolarHBondContact O-N 2.69Å; K1223-Q1226 WeakPolarHBondContact O-CB 3.27Å; K1223-Q1226 PolarHBondContact O-N 3.37Å; K1223-D1227 PolarHBondContact O-N 3.13Å |
| 1224 | E | 82.2 | Confident | 80.8 | Confident | 116 Ų | 116 | 101.1 Ų | 101.1 | 54% | 0.542 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.9 | -42.1 | 177.8 | -176 | 170.1 | -155.9 | 0 | 0 | 112 | M1220 L1221 Q1226 D1227 L1228 | M1220-E1224 PolarHBondContact O-N 3.31Å; L1221-E1224 PolarHBondContact O-N 2.7Å; E1224-Q1226 VanDerWaalsContact C-N 3.28Å; E1224-Q1226 PolarHBondContact O-N 3.46Å; E1224-D1227 PolarHBondContact O-N 3.17Å; E1224-L1228 HydrophobicContact CG-CD1 4.21Å; E1224-L1228 WeakPolarHBondContact O-CB 3.27Å; E1224-L1228 WeakPolarHBondContact O-CG 3.31Å; E1224-L1228 PolarHBondContact O-N 3.3Å |
| 1225 | I | 79.8 | Confident | 81.2 | Confident | 91 Ų | 91 | 105 Ų | 105 | 47% | 0.467 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60 | -38.1 | 173.1 | -71 | 165.7 | 0 | 0 | 0 | 111.4 | L1221 K1223 K1229 | L1221-I1225 WeakPolarHBondContact O-CB 3.26Å; L1221-I1225 WeakPolarHBondContact O-CD1 3.23Å; L1221-I1225 VanDerWaalsContact O-CG1 3.26Å; L1221-I1225 WeakPolarHBondContact O-CG1 3.16Å; L1221-I1225 PolarHBondContact O-N 3.42Å; K1223-I1225 VanDerWaalsContact C-N 3.35Å; K1223-I1225 PolarHBondContact O-N 2.69Å; I1225-K1229 WeakPolarHBondContact O-CG 3.5Å; I1225-K1229 PolarHBondContact O-N 3.27Å |
| 1226 | Q | 79.8 | Confident | 81.4 | Confident | 91 Ų | 91 | 104.6 Ų | 104.6 | 43% | 0.425 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -71.3 | -40.1 | 177.2 | -172 | 57.4 | 39.4 | 0 | 0 | 112.2 | V1222 K1223 E1224 L1228 K1229 N1230 | V1222-Q1226 PolarHBondContact O-N 3.44Å; V1222-Q1226 VanDerWaalsContact O-N 3.12Å; K1223-Q1226 WeakPolarHBondContact O-CB 3.27Å; K1223-Q1226 PolarHBondContact O-N 3.37Å; E1224-Q1226 VanDerWaalsContact C-N 3.28Å; E1224-Q1226 PolarHBondContact O-N 3.46Å; Q1226-L1228 VanDerWaalsContact C-N 3.34Å; Q1226-K1229 PolarHBondContact O-N 3.46Å; Q1226-N1230 PolarHBondContact NE2-OD1 3.4Å; Q1226-N1230 PolarHBondContact O-N 3.44Å; Q1226-N1230 PolarHBondContact O-ND2 3.02Å; Q1226-N1230 PolarHBondContact O-OD1 3.29Å |
| 1227 | D | 84.5 | Confident | 81.5 | Confident | 76 Ų | 76 | 106.6 Ų | 106.6 | 41% | 0.406 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.1 | -34.6 | 175.4 | -73.5 | -29.7 | 0 | 0 | 0 | 111.9 | K1223 E1224 N1230 Q1231 | K1223-D1227 PolarHBondContact O-N 3.13Å; E1224-D1227 PolarHBondContact O-N 3.17Å; D1227-N1230 PolarHBondContact O-N 2.98Å; D1227-Q1231 WeakPolarHBondContact O-CG 3.46Å; D1227-Q1231 PolarHBondContact O-N 2.75Å |
| 1228 | L | 84.2 | Confident | 81.8 | Confident | 85 Ų | 85 | 104.5 Ų | 104.5 | 45% | 0.445 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.6 | -42 | 170.9 | -73.5 | 170.6 | 0 | 0 | 0 | 112.4 | E1224 Q1226 N1230 Q1231 I1232 | E1224-L1228 HydrophobicContact CG-CD1 4.21Å; E1224-L1228 WeakPolarHBondContact O-CB 3.27Å; E1224-L1228 WeakPolarHBondContact O-CG 3.31Å; E1224-L1228 PolarHBondContact O-N 3.3Å; Q1226-L1228 VanDerWaalsContact C-N 3.34Å; L1228-N1230 VanDerWaalsContact C-N 3.33Å; L1228-N1230 PolarHBondContact O-N 3.22Å; L1228-Q1231 PolarHBondContact O-N 3.18Å; L1228-I1232 WeakPolarHBondContact O-CG1 3.48Å; L1228-I1232 PolarHBondContact O-N 3.03Å |
| 1229 | K | 80.2 | Confident | 82 | Confident | 120 Ų | 120 | 102.7 Ų | 102.7 | 52% | 0.522 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.2 | -44.1 | 172.2 | -77.1 | 173.5 | -179.7 | 178.5 | 0 | 111.8 | I1225 Q1226 Q1231 I1232 L1233 | I1225-K1229 WeakPolarHBondContact O-CG 3.5Å; I1225-K1229 PolarHBondContact O-N 3.27Å; Q1226-K1229 PolarHBondContact O-N 3.46Å; K1229-Q1231 VanDerWaalsContact C-N 3.33Å; K1229-Q1231 PolarHBondContact O-N 3.49Å; K1229-I1232 PolarHBondContact O-N 3.04Å; K1229-L1233 PolarHBondContact O-N 3.25Å |
| 1230 | N | 83 | Confident | 82.2 | Confident | 74 Ų | 74 | 99 Ų | 99 | 40% | 0.396 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.4 | -42.3 | 176 | -64.2 | -22.3 | 0 | 0 | 0 | 111.1 | Q1226 D1227 L1228 I1234 | Q1226-N1230 PolarHBondContact NE2-OD1 3.4Å; Q1226-N1230 PolarHBondContact O-N 3.44Å; Q1226-N1230 PolarHBondContact O-ND2 3.02Å; Q1226-N1230 PolarHBondContact O-OD1 3.29Å; D1227-N1230 PolarHBondContact O-N 2.98Å; L1228-N1230 VanDerWaalsContact C-N 3.33Å; L1228-N1230 PolarHBondContact O-N 3.22Å; N1230-I1234 WeakPolarHBondContact O-CD1 3.49Å; N1230-I1234 VanDerWaalsContact O-CG1 3.26Å; N1230-I1234 WeakPolarHBondContact O-CG1 3.38Å; N1230-I1234 PolarHBondContact O-N 3.24Å |
| 1231 | Q | 82.8 | Confident | 82.3 | Confident | 88 Ų | 88 | 96.2 Ų | 96.2 | 41% | 0.411 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.7 | -39 | 175.2 | -75.3 | -176.7 | 53.2 | 0 | 0 | 113.6 | D1227 L1228 K1229 R1235 | D1227-Q1231 WeakPolarHBondContact O-CG 3.46Å; D1227-Q1231 PolarHBondContact O-N 2.75Å; L1228-Q1231 PolarHBondContact O-N 3.18Å; K1229-Q1231 VanDerWaalsContact C-N 3.33Å; K1229-Q1231 PolarHBondContact O-N 3.49Å; Q1231-R1235 WeakPolarHBondContact O-CG 3.3Å; Q1231-R1235 PolarHBondContact O-N 3.23Å; Q1231-R1235 VanDerWaalsContact OE1-NH2 3.14Å |
| 1232 | I | 81.6 | Confident | 82.6 | Confident | 85 Ų | 85 | 98.2 Ų | 98.2 | 44% | 0.436 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.8 | -50.2 | 177 | -69.8 | 164.8 | 0 | 0 | 0 | 110 | L1228 K1229 I1234 R1235 E1236 | L1228-I1232 WeakPolarHBondContact O-CG1 3.48Å; L1228-I1232 PolarHBondContact O-N 3.03Å; K1229-I1232 PolarHBondContact O-N 3.04Å; I1232-I1234 VanDerWaalsContact C-N 3.3Å; I1232-I1234 PolarHBondContact O-N 3.05Å; I1232-R1235 WeakPolarHBondContact O-CA 3.38Å; I1232-R1235 WeakPolarHBondContact O-CB 3.42Å; I1232-R1235 PolarHBondContact O-N 3.17Å; I1232-E1236 HydrophobicContact CG2-CG 4.36Å; I1232-E1236 WeakPolarHBondContact O-CG 3.41Å; I1232-E1236 PolarHBondContact O-N 3.45Å |
| 1233 | L | 82.6 | Confident | 82.6 | Confident | 114 Ų | 114 | 99.7 Ų | 99.7 | 60% | 0.597 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.7 | -37.7 | 179.8 | -173.4 | 144.6 | 0 | 0 | 0 | 112.3 | K1229 E1236 Q1237 | K1229-L1233 PolarHBondContact O-N 3.25Å; L1233-E1236 PolarHBondContact O-N 2.88Å; L1233-Q1237 PolarHBondContact O-N 3.26Å |
| 1234 | I | 83.9 | Confident | 82.7 | Confident | 98 Ų | 98 | 97.5 Ų | 97.5 | 50% | 0.503 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.8 | -39.5 | 172.4 | -70.3 | 166.9 | 0 | 0 | 0 | 111.4 | N1230 I1232 N1238 | N1230-I1234 WeakPolarHBondContact O-CD1 3.49Å; N1230-I1234 VanDerWaalsContact O-CG1 3.26Å; N1230-I1234 WeakPolarHBondContact O-CG1 3.38Å; N1230-I1234 PolarHBondContact O-N 3.24Å; I1232-I1234 VanDerWaalsContact C-N 3.3Å; I1232-I1234 PolarHBondContact O-N 3.05Å; I1234-N1238 WeakPolarHBondContact O-CB 3.43Å; I1234-N1238 PolarHBondContact O-N 3.5Å; I1234-N1238 PolarHBondContact O-ND2 3.4Å |
| 1235 | R | 84.1 | Confident | 82.8 | Confident | 149 Ų | 149 | 97.4 Ų | 97.4 | 56% | 0.562 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67.5 | -40.3 | 176.5 | -72.4 | 171.9 | -169.3 | 161.9 | 9.8 | 111.9 | Q1231 I1232 N1238 M1239 | Q1231-R1235 WeakPolarHBondContact O-CG 3.3Å; Q1231-R1235 PolarHBondContact O-N 3.23Å; Q1231-R1235 VanDerWaalsContact OE1-NH2 3.14Å; I1232-R1235 WeakPolarHBondContact O-CA 3.38Å; I1232-R1235 WeakPolarHBondContact O-CB 3.42Å; I1232-R1235 PolarHBondContact O-N 3.17Å; R1235-N1238 PolarHBondContact O-N 3.34Å; R1235-M1239 WeakPolarHBondContact O-CG 3.46Å; R1235-M1239 PolarHBondContact O-N 3.3Å |
| 1236 | E | 81.9 | Confident | 83 | Confident | 113 Ų | 113 | 97.5 Ų | 97.5 | 53% | 0.528 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.7 | -46.7 | 176.7 | -71.1 | 173.8 | 157.5 | 0 | 0 | 111.5 | I1232 L1233 N1238 M1239 A1240 | I1232-E1236 HydrophobicContact CG2-CG 4.36Å; I1232-E1236 WeakPolarHBondContact O-CG 3.41Å; I1232-E1236 PolarHBondContact O-N 3.45Å; L1233-E1236 PolarHBondContact O-N 2.88Å; E1236-N1238 PolarHBondContact O-N 3.46Å; E1236-M1239 HydrophobicContact CG-CE 4.39Å; E1236-M1239 PolarHBondContact O-N 3.26Å; E1236-M1239 VanDerWaalsContact O-N 3.11Å; E1236-A1240 PolarHBondContact O-N 3.38Å |
| 1237 | Q | 80.6 | Confident | 83.1 | Confident | 108 Ų | 108 | 96.4 Ų | 96.4 | 51% | 0.505 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.7 | -48.5 | 173.5 | -172.9 | 63.7 | 52.2 | 0 | 0 | 111.6 | L1233 M1239 A1240 D1241 | L1233-Q1237 PolarHBondContact O-N 3.26Å; Q1237-M1239 PolarHBondContact O-N 3.35Å; Q1237-M1239 VanDerWaalsContact O-N 3.14Å; Q1237-A1240 PolarHBondContact O-N 3.05Å; Q1237-D1241 PolarHBondContact NE2-OD1 3.29Å; Q1237-D1241 PolarHBondContact O-N 3.39Å |
| 1238 | N | 85.4 | Confident | 83.1 | Confident | 81 Ų | 81 | 95.3 Ų | 95.3 | 43% | 0.433 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.3 | -22.8 | 177 | -85 | -84.3 | 0 | 0 | 0 | 113.7 | I1234 R1235 E1236 K1242 | I1234-N1238 WeakPolarHBondContact O-CB 3.43Å; I1234-N1238 PolarHBondContact O-N 3.5Å; I1234-N1238 PolarHBondContact O-ND2 3.4Å; R1235-N1238 PolarHBondContact O-N 3.34Å; E1236-N1238 PolarHBondContact O-N 3.46Å; N1238-K1242 WeakPolarHBondContact O-CD 3.45Å; N1238-K1242 VanDerWaalsContact O-CG 3.23Å; N1238-K1242 WeakPolarHBondContact O-CG 3.33Å; N1238-K1242 PolarHBondContact O-N 3.28Å |
| 1239 | M | 83.7 | Confident | 83.2 | Confident | 109 Ų | 109 | 92.8 Ų | 92.8 | 54% | 0.537 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -82.7 | -40.5 | 171.9 | -71.9 | -171.9 | -60.8 | 0 | 0 | 111.8 | R1235 E1236 Q1237 D1241 K1242 L1243 | R1235-M1239 WeakPolarHBondContact O-CG 3.46Å; R1235-M1239 PolarHBondContact O-N 3.3Å; E1236-M1239 HydrophobicContact CG-CE 4.39Å; E1236-M1239 PolarHBondContact O-N 3.26Å; E1236-M1239 VanDerWaalsContact O-N 3.11Å; Q1237-M1239 PolarHBondContact O-N 3.35Å; Q1237-M1239 VanDerWaalsContact O-N 3.14Å; M1239-D1241 VanDerWaalsContact C-N 3.35Å; M1239-K1242 PolarHBondContact O-N 3.14Å; M1239-L1243 WeakPolarHBondContact O-CB 3.42Å; M1239-L1243 VanDerWaalsContact O-CG 3.3Å; M1239-L1243 WeakPolarHBondContact O-CG 3.35Å; M1239-L1243 PolarHBondContact O-N 3.3Å |
| 1240 | A | 79.6 | Confident | 83.4 | Confident | 45 Ų | 45 | 92.2 Ų | 92.2 | 37% | 0.372 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.5 | -42 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1236 Q1237 L1243 T1244 | E1236-A1240 PolarHBondContact O-N 3.38Å; Q1237-A1240 PolarHBondContact O-N 3.05Å; A1240-L1243 PolarHBondContact O-N 3.4Å; A1240-T1244 WeakPolarHBondContact O-CB 3.47Å; A1240-T1244 PolarHBondContact O-N 3.4Å; A1240-T1244 PolarHBondContact O-OG1 3.42Å |
| 1241 | D | 84.8 | Confident | 83.4 | Confident | 73 Ų | 73 | 95.2 Ų | 95.2 | 39% | 0.39 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.8 | -48.3 | 175.8 | -61.9 | -22.3 | 0 | 0 | 0 | 110.6 | Q1237 M1239 L1243 T1244 D1245 | Q1237-D1241 PolarHBondContact NE2-OD1 3.29Å; Q1237-D1241 PolarHBondContact O-N 3.39Å; M1239-D1241 VanDerWaalsContact C-N 3.35Å; D1241-L1243 PolarHBondContact O-N 2.94Å; D1241-T1244 CarbonylContact O-C 3.17Å; D1241-T1244 WeakPolarHBondContact O-CA 3.19Å; D1241-T1244 WeakPolarHBondContact O-CB 3.29Å; D1241-T1244 PolarHBondContact O-N 3.26Å; D1241-T1244 VanDerWaalsContact O-N 3.07Å; D1241-D1245 PolarHBondContact O-N 3.5Å |
| 1242 | K | 86.3 | Confident | 83.6 | Confident | 131 Ų | 131 | 97.9 Ų | 97.9 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62 | -39.2 | 176.3 | -76.3 | 173.4 | -176.3 | 176.2 | 0 | 113.5 | N1238 M1239 T1244 D1245 I1246 | N1238-K1242 WeakPolarHBondContact O-CD 3.45Å; N1238-K1242 VanDerWaalsContact O-CG 3.23Å; N1238-K1242 WeakPolarHBondContact O-CG 3.33Å; N1238-K1242 PolarHBondContact O-N 3.28Å; M1239-K1242 PolarHBondContact O-N 3.14Å; K1242-T1244 VanDerWaalsContact C-N 3.27Å; K1242-T1244 PolarHBondContact O-N 3.36Å; K1242-D1245 PolarHBondContact O-N 3.17Å; K1242-I1246 WeakPolarHBondContact O-CB 3.33Å; K1242-I1246 WeakPolarHBondContact O-CD1 3.34Å; K1242-I1246 VanDerWaalsContact O-CG1 3.25Å; K1242-I1246 WeakPolarHBondContact O-CG1 3.36Å; K1242-I1246 PolarHBondContact O-N 3.33Å |
| 1243 | L | 81 | Confident | 83.9 | Confident | 118 Ų | 118 | 99.4 Ų | 99.4 | 62% | 0.618 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66 | -33.6 | 174.8 | -73.1 | 169.6 | 0 | 0 | 0 | 111.2 | M1239 A1240 D1241 S1247 | M1239-L1243 WeakPolarHBondContact O-CB 3.42Å; M1239-L1243 VanDerWaalsContact O-CG 3.3Å; M1239-L1243 WeakPolarHBondContact O-CG 3.35Å; M1239-L1243 PolarHBondContact O-N 3.3Å; A1240-L1243 PolarHBondContact O-N 3.4Å; D1241-L1243 PolarHBondContact O-N 2.94Å; L1243-S1247 VanDerWaalsContact O-CB 3.24Å; L1243-S1247 WeakPolarHBondContact O-CB 3.44Å; L1243-S1247 PolarHBondContact O-N 3.31Å |
| 1244 | T | 84.6 | Confident | 84 | Confident | 82 Ų | 82 | 98.9 Ų | 98.9 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.5 | -43.4 | 173.8 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | A1240 D1241 K1242 S1247 T1248 | A1240-T1244 WeakPolarHBondContact O-CB 3.47Å; A1240-T1244 PolarHBondContact O-N 3.4Å; A1240-T1244 PolarHBondContact O-OG1 3.42Å; D1241-T1244 CarbonylContact O-C 3.17Å; D1241-T1244 WeakPolarHBondContact O-CA 3.19Å; D1241-T1244 WeakPolarHBondContact O-CB 3.29Å; D1241-T1244 PolarHBondContact O-N 3.26Å; D1241-T1244 VanDerWaalsContact O-N 3.07Å; K1242-T1244 VanDerWaalsContact C-N 3.27Å; K1242-T1244 PolarHBondContact O-N 3.36Å; T1244-S1247 PolarHBondContact O-N 3.41Å; T1244-T1248 WeakPolarHBondContact O-CG2 3.5Å; T1244-T1248 PolarHBondContact O-N 3.35Å; T1244-T1248 PolarHBondContact O-OG1 3.46Å |
| 1245 | D | 84.9 | Confident | 84.1 | Confident | 114 Ų | 114 | 98.9 Ų | 98.9 | 61% | 0.61 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.3 | -46 | 173.6 | -82.2 | -23.7 | 0 | 0 | 0 | 112 | D1241 K1242 S1247 T1248 G1249 | D1241-D1245 PolarHBondContact O-N 3.5Å; K1242-D1245 PolarHBondContact O-N 3.17Å; D1245-S1247 VanDerWaalsContact C-N 3.35Å; D1245-S1247 PolarHBondContact O-N 3.24Å; D1245-T1248 PolarHBondContact O-N 3.13Å; D1245-T1248 PolarHBondContact O-OG1 3.25Å; D1245-G1249 PolarHBondContact O-N 3.34Å |
| 1246 | I | 84.6 | Confident | 84.3 | Confident | 94 Ų | 94 | 96 Ų | 96 | 48% | 0.482 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 175.6 | -69.3 | 165.1 | 0 | 0 | 0 | 110.8 | K1242 G1249 H1250 | K1242-I1246 WeakPolarHBondContact O-CB 3.33Å; K1242-I1246 WeakPolarHBondContact O-CD1 3.34Å; K1242-I1246 VanDerWaalsContact O-CG1 3.25Å; K1242-I1246 WeakPolarHBondContact O-CG1 3.36Å; K1242-I1246 PolarHBondContact O-N 3.33Å; I1246-G1249 PolarHBondContact O-N 3.32Å; I1246-H1250 VanDerWaalsContact CG2-CE1 3.43Å; I1246-H1250 WeakPolarHBondContact CG2-CE1 3.37Å; I1246-H1250 PolarHBondContact O-N 3.31Å; I1246-H1250 PolarHBondContact O-ND1 2.81Å |
| 1247 | S | 81.6 | Confident | 84.6 | Confident | 68 Ų | 68 | 94.8 Ų | 94.8 | 48% | 0.476 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.2 | -49 | 177 | -173.9 | 0 | 0 | 0 | 0 | 112 | L1243 T1244 D1245 G1249 H1250 Q1251 | L1243-S1247 VanDerWaalsContact O-CB 3.24Å; L1243-S1247 WeakPolarHBondContact O-CB 3.44Å; L1243-S1247 PolarHBondContact O-N 3.31Å; T1244-S1247 PolarHBondContact O-N 3.41Å; D1245-S1247 VanDerWaalsContact C-N 3.35Å; D1245-S1247 PolarHBondContact O-N 3.24Å; S1247-G1249 VanDerWaalsContact C-N 3.3Å; S1247-G1249 PolarHBondContact O-N 3.49Å; S1247-H1250 PolarHBondContact O-N 2.83Å; S1247-Q1251 WeakPolarHBondContact O-CB 3.43Å; S1247-Q1251 PolarHBondContact O-N 3.42Å |
| 1248 | T | 83.5 | Confident | 84.8 | Confident | 53 Ų | 53 | 95.5 Ų | 95.5 | 33% | 0.325 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.4 | -27.6 | 177 | 69.1 | 0 | 0 | 0 | 0 | 112.8 | T1244 D1245 K1252 | T1244-T1248 WeakPolarHBondContact O-CG2 3.5Å; T1244-T1248 PolarHBondContact O-N 3.35Å; T1244-T1248 PolarHBondContact O-OG1 3.46Å; D1245-T1248 PolarHBondContact O-N 3.13Å; D1245-T1248 PolarHBondContact O-OG1 3.25Å; T1248-K1252 WeakPolarHBondContact O-CD 3.26Å; T1248-K1252 VanDerWaalsContact O-CG 3.23Å; T1248-K1252 WeakPolarHBondContact O-CG 3.34Å; T1248-K1252 PolarHBondContact O-N 3.34Å |
| 1249 | G | 87.2 | Confident | 84.9 | Confident | 31 Ų | 31 | 95.1 Ų | 95.1 | 32% | 0.32 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62 | -56.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | D1245 I1246 S1247 Q1251 K1252 E1253 | D1245-G1249 PolarHBondContact O-N 3.34Å; I1246-G1249 PolarHBondContact O-N 3.32Å; S1247-G1249 VanDerWaalsContact C-N 3.3Å; S1247-G1249 PolarHBondContact O-N 3.49Å; G1249-Q1251 VanDerWaalsContact C-N 3.26Å; G1249-Q1251 PolarHBondContact O-N 3.19Å; G1249-K1252 WeakPolarHBondContact O-CB 3.34Å; G1249-K1252 PolarHBondContact O-N 2.85Å; G1249-K1252 VanDerWaalsContact O-N 3.16Å; G1249-E1253 PolarHBondContact O-N 2.68Å |
| 1250 | H | 84.6 | Confident | 85.2 | Confident | 109 Ų | 109 | 97.1 Ų | 97.1 | 51% | 0.505 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.9 | -36.3 | 175.3 | -67.3 | 149.1 | 0 | 0 | 0 | 112.3 | I1246 S1247 E1253 L1254 | I1246-H1250 VanDerWaalsContact CG2-CE1 3.43Å; I1246-H1250 WeakPolarHBondContact CG2-CE1 3.37Å; I1246-H1250 PolarHBondContact O-N 3.31Å; I1246-H1250 PolarHBondContact O-ND1 2.81Å; S1247-H1250 PolarHBondContact O-N 2.83Å; H1250-E1253 PolarHBondContact O-N 2.63Å; H1250-L1254 WeakPolarHBondContact O-CB 3.42Å; H1250-L1254 VanDerWaalsContact O-CG 3.31Å; H1250-L1254 WeakPolarHBondContact O-CG 3.15Å; H1250-L1254 PolarHBondContact O-N 3.12Å |
| 1251 | Q | 82.6 | Confident | 85.5 | Confident | 136 Ų | 136 | 104 Ų | 104 | 64% | 0.636 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -70 | -34.1 | 178.1 | -167.4 | 163.2 | -4.8 | 0 | 0 | 112.7 | S1247 G1249 Q1255 | S1247-Q1251 WeakPolarHBondContact O-CB 3.43Å; S1247-Q1251 PolarHBondContact O-N 3.42Å; G1249-Q1251 VanDerWaalsContact C-N 3.26Å; G1249-Q1251 PolarHBondContact O-N 3.19Å; Q1251-Q1255 PolarHBondContact O-N 3.45Å |
| 1252 | K | 87.5 | Confident | 85.7 | Confident | 144 Ų | 144 | 103 Ų | 103 | 63% | 0.626 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.6 | -40.2 | 169.8 | -71.5 | 159.7 | -173.3 | 158.5 | 0 | 111.7 | T1248 G1249 Q1255 L1256 | T1248-K1252 WeakPolarHBondContact O-CD 3.26Å; T1248-K1252 VanDerWaalsContact O-CG 3.23Å; T1248-K1252 WeakPolarHBondContact O-CG 3.34Å; T1248-K1252 PolarHBondContact O-N 3.34Å; G1249-K1252 WeakPolarHBondContact O-CB 3.34Å; G1249-K1252 PolarHBondContact O-N 2.85Å; G1249-K1252 VanDerWaalsContact O-N 3.16Å; K1252-Q1255 PolarHBondContact O-N 3.39Å; K1252-L1256 WeakPolarHBondContact O-CB 3.24Å; K1252-L1256 PolarHBondContact O-N 2.6Å |
| 1253 | E | 87.3 | Confident | 85.9 | Confident | 117 Ų | 117 | 102 Ų | 102 | 55% | 0.547 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.5 | -44.4 | 176.2 | -175.5 | 173 | -160 | 0 | 0 | 111.9 | G1249 H1250 Q1255 L1256 L1257 | G1249-E1253 PolarHBondContact O-N 2.68Å; H1250-E1253 PolarHBondContact O-N 2.63Å; E1253-Q1255 VanDerWaalsContact C-N 3.31Å; E1253-Q1255 PolarHBondContact O-N 2.66Å; E1253-L1256 PolarHBondContact O-N 3.07Å; E1253-L1257 HydrophobicContact CG-CD1 4.14Å; E1253-L1257 WeakPolarHBondContact O-CB 3.29Å; E1253-L1257 WeakPolarHBondContact O-CG 3.42Å; E1253-L1257 PolarHBondContact O-N 2.98Å |
| 1254 | L | 84.7 | Confident | 86.3 | Confident | 104 Ų | 104 | 102.1 Ų | 102.1 | 55% | 0.545 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.8 | -39.8 | 174.1 | -76.2 | 169.6 | 0 | 0 | 0 | 112.2 | H1250 L1257 Q1258 | H1250-L1254 WeakPolarHBondContact O-CB 3.42Å; H1250-L1254 VanDerWaalsContact O-CG 3.31Å; H1250-L1254 WeakPolarHBondContact O-CG 3.15Å; H1250-L1254 PolarHBondContact O-N 3.12Å; L1254-L1257 PolarHBondContact O-N 3.05Å; L1254-Q1258 WeakPolarHBondContact O-CG 3.34Å; L1254-Q1258 PolarHBondContact O-N 2.8Å |
| 1255 | Q | 85.9 | Confident | 86.5 | Confident | 97 Ų | 97 | 105.6 Ų | 105.6 | 45% | 0.453 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.8 | -49.6 | 173 | -173.1 | 63.3 | 56.9 | 0 | 0 | 111 | Q1251 K1252 E1253 L1257 Q1258 D1259 | Q1251-Q1255 PolarHBondContact O-N 3.45Å; K1252-Q1255 PolarHBondContact O-N 3.39Å; E1253-Q1255 VanDerWaalsContact C-N 3.31Å; E1253-Q1255 PolarHBondContact O-N 2.66Å; Q1255-L1257 VanDerWaalsContact C-N 3.27Å; Q1255-L1257 PolarHBondContact O-N 3.48Å; Q1255-Q1258 CarbonylContact O-C 3.56Å; Q1255-Q1258 WeakPolarHBondContact O-CA 3.46Å; Q1255-Q1258 WeakPolarHBondContact O-CB 3.38Å; Q1255-Q1258 PolarHBondContact O-N 3.43Å; Q1255-D1259 PolarHBondContact NE2-OD1 3.14Å; Q1255-D1259 PolarHBondContact O-N 3.31Å |
| 1256 | L | 88.2 | Confident | 86.7 | Confident | 89 Ų | 89 | 104.3 Ų | 104.3 | 47% | 0.466 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.6 | -34 | -179.3 | -156.4 | 157.5 | 0 | 0 | 0 | 112 | K1252 E1253 R1260 | K1252-L1256 WeakPolarHBondContact O-CB 3.24Å; K1252-L1256 PolarHBondContact O-N 2.6Å; E1253-L1256 PolarHBondContact O-N 3.07Å; L1256-R1260 HydrophobicContact CD2-CG 4.29Å; L1256-R1260 WeakPolarHBondContact O-CB 3.42Å; L1256-R1260 WeakPolarHBondContact O-CG 3.12Å; L1256-R1260 PolarHBondContact O-N 3.46Å |
| 1257 | L | 88.2 | Confident | 87 | Confident | 87 Ų | 87 | 105 Ų | 105 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -71.6 | -35.1 | 172 | -70.4 | 172.2 | 0 | 0 | 0 | 113.1 | E1253 L1254 Q1255 R1261 | E1253-L1257 HydrophobicContact CG-CD1 4.14Å; E1253-L1257 WeakPolarHBondContact O-CB 3.29Å; E1253-L1257 WeakPolarHBondContact O-CG 3.42Å; E1253-L1257 PolarHBondContact O-N 2.98Å; L1254-L1257 PolarHBondContact O-N 3.05Å; Q1255-L1257 VanDerWaalsContact C-N 3.27Å; Q1255-L1257 PolarHBondContact O-N 3.48Å; L1257-R1261 VanDerWaalsContact O-CB 3.29Å; L1257-R1261 WeakPolarHBondContact O-CB 3.49Å; L1257-R1261 PolarHBondContact O-N 3.14Å |
| 1258 | Q | 85.1 | Confident | 87.3 | Confident | 123 Ų | 123 | 106 Ų | 106 | 58% | 0.575 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.5 | -43.3 | 171.1 | -75.2 | -176.9 | 17.7 | 0 | 0 | 111.5 | L1254 Q1255 R1261 S1262 | L1254-Q1258 WeakPolarHBondContact O-CG 3.34Å; L1254-Q1258 PolarHBondContact O-N 2.8Å; Q1255-Q1258 CarbonylContact O-C 3.56Å; Q1255-Q1258 WeakPolarHBondContact O-CA 3.46Å; Q1255-Q1258 WeakPolarHBondContact O-CB 3.38Å; Q1255-Q1258 PolarHBondContact O-N 3.43Å; Q1258-R1261 PolarHBondContact O-N 2.87Å; Q1258-S1262 PolarHBondContact O-N 2.88Å |
| 1259 | D | 87.6 | Confident | 87.6 | Confident | 74 Ų | 74 | 105.3 Ų | 105.3 | 40% | 0.396 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.8 | -50 | 178.7 | -61.8 | -16.9 | 0 | 0 | 0 | 110.1 | Q1255 R1261 S1262 D1263 | Q1255-D1259 PolarHBondContact NE2-OD1 3.14Å; Q1255-D1259 PolarHBondContact O-N 3.31Å; D1259-R1261 PolarHBondContact O-N 2.94Å; D1259-S1262 WeakPolarHBondContact O-CA 3.35Å; D1259-S1262 WeakPolarHBondContact O-CB 3.34Å; D1259-S1262 PolarHBondContact O-N 2.86Å; D1259-S1262 PolarHBondContact O-OG 3.23Å; D1259-D1263 PolarHBondContact O-N 3.49Å |
| 1260 | R | 89.3 | Confident | 87.7 | Confident | 151 Ų | 151 | 110.2 Ų | 110.2 | 57% | 0.57 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -55.8 | -46.8 | 172.3 | -78.3 | -175.4 | -175.7 | -177.1 | 5.4 | 112.7 | L1256 S1262 D1263 E1264 | L1256-R1260 HydrophobicContact CD2-CG 4.29Å; L1256-R1260 WeakPolarHBondContact O-CB 3.42Å; L1256-R1260 WeakPolarHBondContact O-CG 3.12Å; L1256-R1260 PolarHBondContact O-N 3.46Å; R1260-S1262 PolarHBondContact O-N 3.24Å; R1260-D1263 PolarHBondContact O-N 3.36Å; R1260-D1263 VanDerWaalsContact O-N 3.15Å; R1260-E1264 WeakPolarHBondContact O-CB 3.43Å; R1260-E1264 WeakPolarHBondContact O-CG 3.26Å; R1260-E1264 PolarHBondContact O-N 3.15Å |
| 1261 | R | 87.2 | Confident | 88.1 | Confident | 188 Ų | 188 | 109.9 Ų | 109.9 | 71% | 0.709 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.4 | -33.1 | 176.2 | 178.7 | -177.2 | -75.3 | -169.6 | -2.7 | 111.5 | L1257 Q1258 D1259 K1265 | L1257-R1261 VanDerWaalsContact O-CB 3.29Å; L1257-R1261 WeakPolarHBondContact O-CB 3.49Å; L1257-R1261 PolarHBondContact O-N 3.14Å; Q1258-R1261 PolarHBondContact O-N 2.87Å; D1259-R1261 PolarHBondContact O-N 2.94Å; R1261-K1265 WeakPolarHBondContact O-CB 3.15Å; R1261-K1265 PolarHBondContact O-N 3.08Å |
| 1262 | S | 88 | Confident | 88.5 | Confident | 54 Ų | 54 | 111.3 Ų | 111.3 | 38% | 0.378 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.9 | -41.7 | 175.7 | 89.5 | 0 | 0 | 0 | 0 | 111.6 | Q1258 D1259 R1260 K1265 N1266 | Q1258-S1262 PolarHBondContact O-N 2.88Å; D1259-S1262 WeakPolarHBondContact O-CA 3.35Å; D1259-S1262 WeakPolarHBondContact O-CB 3.34Å; D1259-S1262 PolarHBondContact O-N 2.86Å; D1259-S1262 PolarHBondContact O-OG 3.23Å; R1260-S1262 PolarHBondContact O-N 3.24Å; S1262-K1265 PolarHBondContact O-N 3.01Å; S1262-N1266 WeakPolarHBondContact O-CB 3.48Å; S1262-N1266 PolarHBondContact O-N 3.17Å; S1262-N1266 PolarHBondContact O-ND2 3.09Å; S1262-N1266 VanDerWaalsContact O-ND2 3.13Å |
| 1263 | D | 90.1 | Very high | 88.6 | Confident | 110 Ų | 110 | 112.2 Ų | 112.2 | 59% | 0.588 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.4 | -42.3 | 175.5 | -83.9 | -28.2 | 0 | 0 | 0 | 112.6 | D1259 R1260 N1266 M1267 | D1259-D1263 PolarHBondContact O-N 3.49Å; R1260-D1263 PolarHBondContact O-N 3.36Å; R1260-D1263 VanDerWaalsContact O-N 3.15Å; D1263-N1266 CarbonylContact O-C 3.59Å; D1263-N1266 PolarHBondContact O-N 3.45Å; D1263-M1267 WeakPolarHBondContact O-CB 3.41Å; D1263-M1267 PolarHBondContact O-N 3.32Å |
| 1264 | E | 89.5 | Confident | 88.9 | Confident | 119 Ų | 119 | 111.4 Ų | 111.4 | 56% | 0.556 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.4 | -45.9 | 171.8 | -73.8 | 172.7 | 179.3 | 0 | 0 | 111.1 | R1260 N1266 M1267 I1268 | R1260-E1264 WeakPolarHBondContact O-CB 3.43Å; R1260-E1264 WeakPolarHBondContact O-CG 3.26Å; R1260-E1264 PolarHBondContact O-N 3.15Å; E1264-N1266 VanDerWaalsContact C-N 3.34Å; E1264-N1266 PolarHBondContact O-N 3.21Å; E1264-M1267 PolarHBondContact O-N 3.41Å; E1264-I1268 WeakPolarHBondContact O-CB 3.28Å; E1264-I1268 VanDerWaalsContact O-CG1 3.25Å; E1264-I1268 WeakPolarHBondContact O-CG1 3.15Å; E1264-I1268 PolarHBondContact O-N 3.48Å |
| 1265 | K | 89.8 | Confident | 89.1 | Confident | 155 Ų | 155 | 110.7 Ų | 110.7 | 67% | 0.674 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.3 | -40.3 | 175.7 | -174.6 | -179.5 | 179.6 | -175.3 | 0 | 111.8 | R1261 S1262 A1269 | R1261-K1265 WeakPolarHBondContact O-CB 3.15Å; R1261-K1265 PolarHBondContact O-N 3.08Å; S1262-K1265 PolarHBondContact O-N 3.01Å; K1265-A1269 VanDerWaalsContact O-CB 3.31Å; K1265-A1269 WeakPolarHBondContact O-CB 3.35Å; K1265-A1269 PolarHBondContact O-N 3.36Å |
| 1266 | N | 89.1 | Confident | 89.3 | Confident | 87 Ų | 87 | 110.3 Ų | 110.3 | 47% | 0.465 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.1 | -39.2 | 174.9 | -74.7 | -32 | 0 | 0 | 0 | 111.9 | S1262 D1263 E1264 A1269 K1270 | S1262-N1266 WeakPolarHBondContact O-CB 3.48Å; S1262-N1266 PolarHBondContact O-N 3.17Å; S1262-N1266 PolarHBondContact O-ND2 3.09Å; S1262-N1266 VanDerWaalsContact O-ND2 3.13Å; D1263-N1266 CarbonylContact O-C 3.59Å; D1263-N1266 PolarHBondContact O-N 3.45Å; E1264-N1266 VanDerWaalsContact C-N 3.34Å; E1264-N1266 PolarHBondContact O-N 3.21Å; N1266-A1269 PolarHBondContact O-N 3.46Å; N1266-K1270 WeakPolarHBondContact O-CG 2.98Å; N1266-K1270 PolarHBondContact O-N 3.44Å |
| 1267 | M | 90.7 | Very high | 89.4 | Confident | 110 Ų | 110 | 111 Ų | 111 | 54% | 0.542 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.1 | -46.4 | 175.3 | -171.3 | 66 | 84.9 | 0 | 0 | 111 | D1263 E1264 A1269 K1270 L1271 | D1263-M1267 WeakPolarHBondContact O-CB 3.41Å; D1263-M1267 PolarHBondContact O-N 3.32Å; E1264-M1267 PolarHBondContact O-N 3.41Å; M1267-A1269 VanDerWaalsContact C-N 3.27Å; M1267-A1269 PolarHBondContact O-N 2.95Å; M1267-K1270 WeakPolarHBondContact O-CB 3.42Å; M1267-K1270 PolarHBondContact O-N 3.13Å; M1267-L1271 HydrophobicContact CG-CD1 4.08Å; M1267-L1271 HydrophobicContact CG-CG 4.42Å; M1267-L1271 WeakPolarHBondContact O-CB 3.35Å; M1267-L1271 WeakPolarHBondContact O-CG 3.5Å; M1267-L1271 PolarHBondContact O-N 2.68Å |
| 1268 | I | 88.2 | Confident | 89.7 | Confident | 89 Ų | 89 | 110.6 Ų | 110.6 | 46% | 0.456 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59 | -39.5 | 174.1 | -69 | 163.9 | 0 | 0 | 0 | 110.6 | E1264 K1270 L1271 R1272 | E1264-I1268 WeakPolarHBondContact O-CB 3.28Å; E1264-I1268 VanDerWaalsContact O-CG1 3.25Å; E1264-I1268 WeakPolarHBondContact O-CG1 3.15Å; E1264-I1268 PolarHBondContact O-N 3.48Å; I1268-K1270 VanDerWaalsContact C-N 3.34Å; I1268-K1270 PolarHBondContact O-N 2.69Å; I1268-L1271 PolarHBondContact O-N 2.78Å; I1268-R1272 HydrophobicContact CG2-CG 4.44Å; I1268-R1272 WeakPolarHBondContact O-CB 3.45Å; I1268-R1272 WeakPolarHBondContact O-CG 3.25Å; I1268-R1272 PolarHBondContact O-N 2.92Å |
| 1269 | A | 88.1 | Confident | 90 | Very high | 37 Ų | 37 | 110.8 Ų | 110.8 | 31% | 0.306 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -71.2 | -23.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | K1265 N1266 M1267 R1273 | K1265-A1269 VanDerWaalsContact O-CB 3.31Å; K1265-A1269 WeakPolarHBondContact O-CB 3.35Å; K1265-A1269 PolarHBondContact O-N 3.36Å; N1266-A1269 PolarHBondContact O-N 3.46Å; M1267-A1269 VanDerWaalsContact C-N 3.27Å; M1267-A1269 PolarHBondContact O-N 2.95Å; A1269-R1273 PolarHBondContact O-NE 3.3Å |
| 1270 | K | 90.5 | Very high | 90.1 | Very high | 135 Ų | 135 | 111.4 Ų | 111.4 | 59% | 0.587 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -78.3 | -45 | 168.9 | -73.1 | 169.7 | -179.4 | 174.6 | 0 | 111 | N1266 M1267 I1268 R1273 R1274 | N1266-K1270 WeakPolarHBondContact O-CG 2.98Å; N1266-K1270 PolarHBondContact O-N 3.44Å; M1267-K1270 WeakPolarHBondContact O-CB 3.42Å; M1267-K1270 PolarHBondContact O-N 3.13Å; I1268-K1270 VanDerWaalsContact C-N 3.34Å; I1268-K1270 PolarHBondContact O-N 2.69Å; K1270-R1273 PolarHBondContact O-N 3.5Å; K1270-R1274 PolarHBondContact O-N 2.69Å |
| 1271 | L | 91.6 | Very high | 90.2 | Very high | 101 Ų | 101 | 108 Ų | 108 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 178.9 | -71.4 | 171.4 | 0 | 0 | 0 | 111.8 | M1267 I1268 R1274 I1275 | M1267-L1271 HydrophobicContact CG-CD1 4.08Å; M1267-L1271 HydrophobicContact CG-CG 4.42Å; M1267-L1271 WeakPolarHBondContact O-CB 3.35Å; M1267-L1271 WeakPolarHBondContact O-CG 3.5Å; M1267-L1271 PolarHBondContact O-N 2.68Å; I1268-L1271 PolarHBondContact O-N 2.78Å; L1271-R1274 PolarHBondContact O-N 3.48Å; L1271-I1275 WeakPolarHBondContact O-CG1 3.18Å; L1271-I1275 PolarHBondContact O-N 2.98Å |
| 1272 | R | 91.4 | Very high | 90.4 | Very high | 167 Ų | 167 | 104.8 Ų | 104.8 | 63% | 0.63 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -56.4 | -53.5 | 172.2 | -76 | 177.5 | -179.1 | -132.9 | 0.2 | 111.3 | I1268 R1274 I1275 D1276 | I1268-R1272 HydrophobicContact CG2-CG 4.44Å; I1268-R1272 WeakPolarHBondContact O-CB 3.45Å; I1268-R1272 WeakPolarHBondContact O-CG 3.25Å; I1268-R1272 PolarHBondContact O-N 2.92Å; R1272-R1274 PolarHBondContact O-N 3.29Å; R1272-R1274 VanDerWaalsContact O-N 3.16Å; R1272-I1275 CarbonylContact O-C 3.59Å; R1272-I1275 WeakPolarHBondContact O-CA 3.4Å; R1272-I1275 WeakPolarHBondContact O-CB 3.08Å; R1272-I1275 PolarHBondContact O-N 2.61Å; R1272-D1276 PolarHBondContact O-N 2.97Å; R1272-D1276 VanDerWaalsContact O-OD2 3.09Å |
| 1273 | R | 89.3 | Confident | 90.6 | Very high | 163 Ų | 163 | 108.8 Ų | 108.8 | 62% | 0.615 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -56 | -34.6 | 175.7 | -82.9 | -179.4 | -77.9 | 177.2 | -10.8 | 113.7 | A1269 K1270 D1276 Q1277 | A1269-R1273 PolarHBondContact O-NE 3.3Å; K1270-R1273 PolarHBondContact O-N 3.5Å; R1273-D1276 WeakPolarHBondContact CA-OD2 3.21Å; R1273-D1276 PolarHBondContact N-OD2 3.16Å; R1273-Q1277 VanDerWaalsContact O-CB 3.27Å; R1273-Q1277 WeakPolarHBondContact O-CB 3.35Å; R1273-Q1277 PolarHBondContact O-N 3.45Å |
| 1274 | R | 93.4 | Very high | 90.5 | Very high | 99 Ų | 99 | 106.6 Ų | 106.6 | 37% | 0.374 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -74.7 | -32.2 | 174.3 | -173.9 | 59.9 | -167.9 | 149.3 | 13.1 | 112.6 | K1270 L1271 R1272 L1278 E1281 | K1270-R1274 PolarHBondContact O-N 2.69Å; L1271-R1274 PolarHBondContact O-N 3.48Å; R1272-R1274 PolarHBondContact O-N 3.29Å; R1272-R1274 VanDerWaalsContact O-N 3.16Å; R1274-L1278 HydrophobicContact CG-CD1 4.11Å; R1274-L1278 HydrophobicContact CG-CG 4.5Å; R1274-L1278 VanDerWaalsContact NH2-CD2 3.27Å; R1274-L1278 VanDerWaalsContact O-CB 3.27Å; R1274-L1278 WeakPolarHBondContact O-CB 3.45Å; R1274-L1278 WeakPolarHBondContact O-CD1 3.21Å; R1274-L1278 WeakPolarHBondContact O-CG 3.13Å; R1274-L1278 PolarHBondContact O-N 3.11Å; R1274-E1281 IonicContact CZ-OE1 3.05Å; R1274-E1281 IonicContact CZ-OE2 3.53Å; R1274-E1281 IonicContact NH1-OE1 2.98Å; R1274-E1281 PolarHBondContact NH1-OE1 2.95Å; R1274-E1281 IonicContact NH1-OE2 3.4Å; R1274-E1281 IonicContact NH2-OE1 2.7Å; R1274-E1281 PolarHBondContact NH2-OE1 3.35Å; R1274-E1281 IonicContact NH2-OE2 2.79Å; R1274-E1281 PolarHBondContact NH2-OE2 3.16Å |
| 1275 | I | 89.9 | Confident | 90.4 | Very high | 89 Ų | 89 | 105.9 Ų | 105.9 | 46% | 0.456 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.6 | -51 | 170.1 | -67.9 | 162.9 | 0 | 0 | 0 | 109.7 | L1271 R1272 Q1277 L1278 E1279 | L1271-I1275 WeakPolarHBondContact O-CG1 3.18Å; L1271-I1275 PolarHBondContact O-N 2.98Å; R1272-I1275 CarbonylContact O-C 3.59Å; R1272-I1275 WeakPolarHBondContact O-CA 3.4Å; R1272-I1275 WeakPolarHBondContact O-CB 3.08Å; R1272-I1275 PolarHBondContact O-N 2.61Å; I1275-Q1277 PolarHBondContact O-N 3.18Å; I1275-L1278 CarbonylContact O-C 3.55Å; I1275-L1278 WeakPolarHBondContact O-CB 3.43Å; I1275-L1278 PolarHBondContact O-N 3.37Å; I1275-E1279 HydrophobicContact CG2-CG 4.38Å; I1275-E1279 WeakPolarHBondContact O-CG 3.3Å; I1275-E1279 PolarHBondContact O-N 2.9Å |
| 1276 | D | 90.3 | Very high | 90.4 | Very high | 90 Ų | 90 | 106 Ų | 106 | 48% | 0.481 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -54.3 | -43.3 | 177.2 | -51.3 | -37.8 | 0 | 0 | 0 | 110.9 | R1272 R1273 E1279 V1280 | R1272-D1276 PolarHBondContact O-N 2.97Å; R1272-D1276 VanDerWaalsContact O-OD2 3.09Å; R1273-D1276 WeakPolarHBondContact CA-OD2 3.21Å; R1273-D1276 PolarHBondContact N-OD2 3.16Å; D1276-E1279 PolarHBondContact O-N 3.34Å; D1276-V1280 WeakPolarHBondContact O-CG2 3.09Å; D1276-V1280 PolarHBondContact O-N 3.17Å; D1276-V1280 VanDerWaalsContact O-N 3.14Å |
| 1277 | Q | 91.1 | Very high | 90.3 | Very high | 103 Ų | 103 | 106.6 Ų | 106.6 | 48% | 0.481 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.3 | -42.8 | 175.9 | -167.5 | -176.7 | 21 | 0 | 0 | 112.7 | R1273 I1275 E1279 V1280 E1281 | R1273-Q1277 VanDerWaalsContact O-CB 3.27Å; R1273-Q1277 WeakPolarHBondContact O-CB 3.35Å; R1273-Q1277 PolarHBondContact O-N 3.45Å; I1275-Q1277 PolarHBondContact O-N 3.18Å; Q1277-E1279 VanDerWaalsContact C-N 3.33Å; Q1277-V1280 PolarHBondContact O-N 2.78Å; Q1277-E1281 WeakPolarHBondContact O-CG 3.09Å; Q1277-E1281 PolarHBondContact O-N 3.2Å |
| 1278 | L | 92.5 | Very high | 90.2 | Very high | 79 Ų | 79 | 107 Ų | 107 | 41% | 0.414 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.6 | -35.6 | 175.2 | -81.2 | 165.6 | 0 | 0 | 0 | 112 | R1274 I1275 V1280 E1281 L1282 | R1274-L1278 HydrophobicContact CG-CD1 4.11Å; R1274-L1278 HydrophobicContact CG-CG 4.5Å; R1274-L1278 VanDerWaalsContact NH2-CD2 3.27Å; R1274-L1278 VanDerWaalsContact O-CB 3.27Å; R1274-L1278 WeakPolarHBondContact O-CB 3.45Å; R1274-L1278 WeakPolarHBondContact O-CD1 3.21Å; R1274-L1278 WeakPolarHBondContact O-CG 3.13Å; R1274-L1278 PolarHBondContact O-N 3.11Å; I1275-L1278 CarbonylContact O-C 3.55Å; I1275-L1278 WeakPolarHBondContact O-CB 3.43Å; I1275-L1278 PolarHBondContact O-N 3.37Å; L1278-V1280 VanDerWaalsContact C-N 3.35Å; L1278-E1281 PolarHBondContact O-N 3.47Å; L1278-L1282 WeakPolarHBondContact O-CB 3.32Å; L1278-L1282 PolarHBondContact O-N 3.17Å |
| 1279 | E | 92.1 | Very high | 90.1 | Very high | 127 Ų | 127 | 108.6 Ų | 108.6 | 59% | 0.593 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.1 | -37.2 | 174.3 | -74.1 | -173.2 | -174 | 0 | 0 | 111.6 | I1275 D1276 Q1277 K1283 | I1275-E1279 HydrophobicContact CG2-CG 4.38Å; I1275-E1279 WeakPolarHBondContact O-CG 3.3Å; I1275-E1279 PolarHBondContact O-N 2.9Å; D1276-E1279 PolarHBondContact O-N 3.34Å; Q1277-E1279 VanDerWaalsContact C-N 3.33Å; E1279-K1283 WeakPolarHBondContact O-CB 3.43Å; E1279-K1283 PolarHBondContact O-N 3.35Å |
| 1280 | V | 89.9 | Confident | 90 | Very high | 86 Ų | 86 | 111.4 Ų | 111.4 | 52% | 0.521 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67 | -48 | 171 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | D1276 Q1277 L1278 L1282 K1283 D1284 | D1276-V1280 WeakPolarHBondContact O-CG2 3.09Å; D1276-V1280 PolarHBondContact O-N 3.17Å; D1276-V1280 VanDerWaalsContact O-N 3.14Å; Q1277-V1280 PolarHBondContact O-N 2.78Å; L1278-V1280 VanDerWaalsContact C-N 3.35Å; V1280-L1282 VanDerWaalsContact C-N 3.33Å; V1280-L1282 PolarHBondContact O-N 3.01Å; V1280-K1283 PolarHBondContact O-N 3.41Å; V1280-D1284 WeakPolarHBondContact O-CB 3.46Å; V1280-D1284 PolarHBondContact O-N 2.98Å |
| 1281 | E | 91.2 | Very high | 89.7 | Confident | 81 Ų | 81 | 109.5 Ų | 109.5 | 38% | 0.379 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -54.8 | -47.2 | 175.7 | -74.5 | 168.2 | -155.7 | 0 | 0 | 111.2 | R1274 Q1277 L1278 D1284 E1285 | R1274-E1281 IonicContact CZ-OE1 3.05Å; R1274-E1281 IonicContact CZ-OE2 3.53Å; R1274-E1281 IonicContact NH1-OE1 2.98Å; R1274-E1281 PolarHBondContact NH1-OE1 2.95Å; R1274-E1281 IonicContact NH1-OE2 3.4Å; R1274-E1281 IonicContact NH2-OE1 2.7Å; R1274-E1281 PolarHBondContact NH2-OE1 3.35Å; R1274-E1281 IonicContact NH2-OE2 2.79Å; R1274-E1281 PolarHBondContact NH2-OE2 3.16Å; Q1277-E1281 WeakPolarHBondContact O-CG 3.09Å; Q1277-E1281 PolarHBondContact O-N 3.2Å; L1278-E1281 PolarHBondContact O-N 3.47Å; E1281-D1284 PolarHBondContact O-N 2.91Å; E1281-E1285 PolarHBondContact O-N 3.1Å |
| 1282 | L | 91.5 | Very high | 89.4 | Confident | 120 Ų | 120 | 107.8 Ų | 107.8 | 63% | 0.628 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -71.9 | -34.5 | -179.2 | -155.7 | 167.9 | 0 | 0 | 0 | 111.8 | L1278 V1280 R1286 | L1278-L1282 WeakPolarHBondContact O-CB 3.32Å; L1278-L1282 PolarHBondContact O-N 3.17Å; V1280-L1282 VanDerWaalsContact C-N 3.33Å; V1280-L1282 PolarHBondContact O-N 3.01Å; L1282-R1286 WeakPolarHBondContact O-CB 3.39Å; L1282-R1286 PolarHBondContact O-N 3.1Å |
| 1283 | K | 91.4 | Very high | 88.9 | Confident | 137 Ų | 137 | 104.3 Ų | 104.3 | 60% | 0.596 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.9 | -36.4 | 173.3 | -173.4 | 174.1 | -173.1 | 174 | 0 | 112 | E1279 V1280 K1287 | E1279-K1283 WeakPolarHBondContact O-CB 3.43Å; E1279-K1283 PolarHBondContact O-N 3.35Å; V1280-K1283 PolarHBondContact O-N 3.41Å; K1283-K1287 WeakPolarHBondContact O-CG 3.23Å; K1283-K1287 PolarHBondContact O-N 3.47Å |
| 1284 | D | 89 | Confident | 88.5 | Confident | 64 Ų | 64 | 99.7 Ų | 99.7 | 34% | 0.342 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -78.6 | -33.6 | 176.3 | -76.6 | -10.4 | 0 | 0 | 0 | 112.5 | V1280 E1281 K1287 K1288 | V1280-D1284 WeakPolarHBondContact O-CB 3.46Å; V1280-D1284 PolarHBondContact O-N 2.98Å; E1281-D1284 PolarHBondContact O-N 2.91Å; D1284-K1287 PolarHBondContact O-N 3.41Å; D1284-K1287 WeakPolarHBondContact OD1-CD 3.47Å; D1284-K1287 WeakPolarHBondContact OD1-CE 3.49Å; D1284-K1287 IonicContact OD1-NZ 2.66Å; D1284-K1287 PolarHBondContact OD1-NZ 3.49Å; D1284-K1288 WeakPolarHBondContact O-CG 3.36Å; D1284-K1288 PolarHBondContact O-N 3.01Å |
| 1285 | E | 87.1 | Confident | 87.9 | Confident | 104 Ų | 104 | 103.2 Ų | 103.2 | 49% | 0.486 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.3 | -37.6 | 166.1 | -74.9 | -54.6 | 143.8 | 0 | 0 | 112.1 | E1281 K1288 H1289 | E1281-E1285 PolarHBondContact O-N 3.1Å; E1285-K1288 PolarHBondContact O-N 3Å; E1285-K1288 WeakPolarHBondContact OE1-CD 3.42Å; E1285-K1288 IonicContact OE1-NZ 2.63Å; E1285-K1288 PolarHBondContact OE1-NZ 2.8Å; E1285-K1288 WeakPolarHBondContact OE2-CD 3.5Å; E1285-H1289 WeakPolarHBondContact O-CB 3.26Å; E1285-H1289 PolarHBondContact O-N 3.23Å |
| 1286 | R | 89.5 | Confident | 87.3 | Confident | 158 Ų | 158 | 102 Ų | 102 | 60% | 0.596 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.2 | -48.9 | 170.1 | 178.3 | -175.5 | -77.9 | -135.7 | 3.8 | 110.7 | L1282 K1288 H1289 E1290 | L1282-R1286 WeakPolarHBondContact O-CB 3.39Å; L1282-R1286 PolarHBondContact O-N 3.1Å; R1286-K1288 VanDerWaalsContact C-N 3.33Å; R1286-K1288 PolarHBondContact O-N 3.34Å; R1286-H1289 PolarHBondContact O-N 3.28Å; R1286-H1289 VanDerWaalsContact O-N 3.16Å; R1286-E1290 VanDerWaalsContact CD-OE1 3.31Å; R1286-E1290 WeakPolarHBondContact CD-OE1 3.4Å; R1286-E1290 HydrophobicContact CG-CG 4.24Å; R1286-E1290 VanDerWaalsContact CG-OE1 3.23Å; R1286-E1290 WeakPolarHBondContact CG-OE1 3.06Å; R1286-E1290 WeakPolarHBondContact O-CB 3.5Å; R1286-E1290 WeakPolarHBondContact O-CG 3.44Å; R1286-E1290 PolarHBondContact O-N 2.62Å |
| 1287 | K | 88.3 | Confident | 86.6 | Confident | 100 Ų | 100 | 100 Ų | 100 | 44% | 0.435 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.5 | -41.7 | 174.7 | -71.1 | 173.8 | -163.4 | 160.1 | 0 | 112.1 | K1283 D1284 H1289 L1291 | K1283-K1287 WeakPolarHBondContact O-CG 3.23Å; K1283-K1287 PolarHBondContact O-N 3.47Å; D1284-K1287 PolarHBondContact O-N 3.41Å; D1284-K1287 WeakPolarHBondContact OD1-CD 3.47Å; D1284-K1287 WeakPolarHBondContact OD1-CE 3.49Å; D1284-K1287 IonicContact OD1-NZ 2.66Å; D1284-K1287 PolarHBondContact OD1-NZ 3.49Å; K1287-H1289 VanDerWaalsContact C-N 3.34Å; K1287-L1291 WeakPolarHBondContact O-CB 3.08Å; K1287-L1291 WeakPolarHBondContact O-CD1 3.2Å; K1287-L1291 WeakPolarHBondContact O-CG 3.16Å; K1287-L1291 PolarHBondContact O-N 3.33Å |
| 1288 | K | 88.8 | Confident | 85.9 | Confident | 117 Ų | 117 | 100 Ų | 100 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 176 | -74 | 172.8 | -167.9 | 172.4 | 0 | 111.4 | D1284 E1285 R1286 S1292 | D1284-K1288 WeakPolarHBondContact O-CG 3.36Å; D1284-K1288 PolarHBondContact O-N 3.01Å; E1285-K1288 PolarHBondContact O-N 3Å; E1285-K1288 WeakPolarHBondContact OE1-CD 3.42Å; E1285-K1288 IonicContact OE1-NZ 2.63Å; E1285-K1288 PolarHBondContact OE1-NZ 2.8Å; E1285-K1288 WeakPolarHBondContact OE2-CD 3.5Å; R1286-K1288 VanDerWaalsContact C-N 3.33Å; R1286-K1288 PolarHBondContact O-N 3.34Å; K1288-S1292 WeakPolarHBondContact O-CB 3.48Å; K1288-S1292 PolarHBondContact O-N 2.84Å |
| 1289 | H | 85 | Confident | 84.9 | Confident | 124 Ų | 124 | 100 Ų | 100 | 57% | 0.574 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -69.5 | -44.3 | 177.9 | -168.6 | 52.2 | 0 | 0 | 0 | 111.5 | E1285 R1286 K1287 S1292 I1293 | E1285-H1289 WeakPolarHBondContact O-CB 3.26Å; E1285-H1289 PolarHBondContact O-N 3.23Å; R1286-H1289 PolarHBondContact O-N 3.28Å; R1286-H1289 VanDerWaalsContact O-N 3.16Å; K1287-H1289 VanDerWaalsContact C-N 3.34Å; H1289-S1292 WeakPolarHBondContact O-CB 3.32Å; H1289-S1292 PolarHBondContact O-N 3.42Å; H1289-S1292 VanDerWaalsContact O-N 3.13Å; H1289-I1293 WeakPolarHBondContact O-CG1 3.24Å; H1289-I1293 PolarHBondContact O-N 2.9Å |
| 1290 | E | 86.3 | Confident | 83.9 | Confident | 96 Ų | 96 | 99.7 Ų | 99.7 | 45% | 0.449 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.9 | -47.4 | 171.3 | -73.2 | 168.3 | 179.1 | 0 | 0 | 111 | R1286 S1292 I1293 V1294 | R1286-E1290 VanDerWaalsContact CD-OE1 3.31Å; R1286-E1290 WeakPolarHBondContact CD-OE1 3.4Å; R1286-E1290 HydrophobicContact CG-CG 4.24Å; R1286-E1290 VanDerWaalsContact CG-OE1 3.23Å; R1286-E1290 WeakPolarHBondContact CG-OE1 3.06Å; R1286-E1290 WeakPolarHBondContact O-CB 3.5Å; R1286-E1290 WeakPolarHBondContact O-CG 3.44Å; R1286-E1290 PolarHBondContact O-N 2.62Å; E1290-S1292 VanDerWaalsContact C-N 3.31Å; E1290-S1292 PolarHBondContact O-N 3.48Å; E1290-I1293 PolarHBondContact O-N 3.12Å; E1290-V1294 WeakPolarHBondContact O-CB 3.42Å; E1290-V1294 VanDerWaalsContact O-CG2 3.26Å; E1290-V1294 WeakPolarHBondContact O-CG2 3.17Å; E1290-V1294 PolarHBondContact O-N 3.18Å |
| 1291 | L | 84.2 | Confident | 82.7 | Confident | 95 Ų | 95 | 100.8 Ų | 100.8 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.4 | -28.9 | 174.2 | -75.5 | 167.3 | 0 | 0 | 0 | 113.3 | K1287 R1295 | K1287-L1291 WeakPolarHBondContact O-CB 3.08Å; K1287-L1291 WeakPolarHBondContact O-CD1 3.2Å; K1287-L1291 WeakPolarHBondContact O-CG 3.16Å; K1287-L1291 PolarHBondContact O-N 3.33Å; L1291-R1295 VanDerWaalsContact O-CB 3.24Å; L1291-R1295 WeakPolarHBondContact O-CB 3.14Å; L1291-R1295 WeakPolarHBondContact O-CG 3.43Å; L1291-R1295 PolarHBondContact O-N 3.41Å |
| 1292 | S | 84.9 | Confident | 81.2 | Confident | 64 Ų | 64 | 101 Ų | 101 | 45% | 0.448 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -76 | -39.5 | 175.8 | -169.7 | 0 | 0 | 0 | 0 | 111.4 | K1288 H1289 E1290 S1296 | K1288-S1292 WeakPolarHBondContact O-CB 3.48Å; K1288-S1292 PolarHBondContact O-N 2.84Å; H1289-S1292 WeakPolarHBondContact O-CB 3.32Å; H1289-S1292 PolarHBondContact O-N 3.42Å; H1289-S1292 VanDerWaalsContact O-N 3.13Å; E1290-S1292 VanDerWaalsContact C-N 3.31Å; E1290-S1292 PolarHBondContact O-N 3.48Å; S1292-S1296 VanDerWaalsContact O-CB 3.29Å; S1292-S1296 WeakPolarHBondContact O-CB 3.46Å; S1292-S1296 PolarHBondContact O-N 3.1Å; S1292-S1296 PolarHBondContact O-OG 3.4Å |
| 1293 | I | 82 | Confident | 79.5 | Confident | 94 Ų | 94 | 98.1 Ų | 98.1 | 48% | 0.482 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.5 | -46.9 | 170.9 | -68.8 | 165.1 | 0 | 0 | 0 | 109.8 | H1289 E1290 S1296 A1297 | H1289-I1293 WeakPolarHBondContact O-CG1 3.24Å; H1289-I1293 PolarHBondContact O-N 2.9Å; E1290-I1293 PolarHBondContact O-N 3.12Å; I1293-S1296 PolarHBondContact O-N 3.25Å; I1293-S1296 VanDerWaalsContact O-N 3.16Å; I1293-A1297 WeakPolarHBondContact O-CB 3.32Å; I1293-A1297 PolarHBondContact O-N 3.33Å |
| 1294 | V | 80.8 | Confident | 77.8 | Confident | 67 Ų | 67 | 96.2 Ų | 96.2 | 41% | 0.406 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.7 | -50.4 | 175.6 | 167.8 | 0 | 0 | 0 | 0 | 110.1 | E1290 S1296 A1297 E1298 | E1290-V1294 WeakPolarHBondContact O-CB 3.42Å; E1290-V1294 VanDerWaalsContact O-CG2 3.26Å; E1290-V1294 WeakPolarHBondContact O-CG2 3.17Å; E1290-V1294 PolarHBondContact O-N 3.18Å; V1294-S1296 PolarHBondContact O-N 3.39Å; V1294-A1297 CarbonylContact O-C 3.47Å; V1294-A1297 PolarHBondContact O-N 3.2Å; V1294-A1297 VanDerWaalsContact O-N 3.1Å; V1294-E1298 HydrophobicContact CG1-CG 4.05Å; V1294-E1298 VanDerWaalsContact O-CB 3.31Å; V1294-E1298 WeakPolarHBondContact O-CB 3.4Å; V1294-E1298 VanDerWaalsContact O-CG 3.29Å; V1294-E1298 WeakPolarHBondContact O-CG 3.45Å; V1294-E1298 PolarHBondContact O-N 3.24Å |
| 1295 | R | 79.8 | Confident | 76 | Confident | 173 Ų | 173 | 96.7 Ų | 96.7 | 65% | 0.653 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.7 | -29.2 | 175 | -76.8 | 172.5 | -179.8 | 175 | 1.1 | 114 | L1291 S1299 | L1291-R1295 VanDerWaalsContact O-CB 3.24Å; L1291-R1295 WeakPolarHBondContact O-CB 3.14Å; L1291-R1295 WeakPolarHBondContact O-CG 3.43Å; L1291-R1295 PolarHBondContact O-N 3.41Å; R1295-S1299 WeakPolarHBondContact O-CB 3.48Å; R1295-S1299 PolarHBondContact O-N 2.88Å |
| 1296 | S | 78.1 | Confident | 74.2 | Confident | 64 Ų | 64 | 95.4 Ų | 95.4 | 45% | 0.448 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -75 | -38.5 | 174.7 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | S1292 I1293 V1294 S1299 L1300 | S1292-S1296 VanDerWaalsContact O-CB 3.29Å; S1292-S1296 WeakPolarHBondContact O-CB 3.46Å; S1292-S1296 PolarHBondContact O-N 3.1Å; S1292-S1296 PolarHBondContact O-OG 3.4Å; I1293-S1296 PolarHBondContact O-N 3.25Å; I1293-S1296 VanDerWaalsContact O-N 3.16Å; V1294-S1296 PolarHBondContact O-N 3.39Å; S1296-S1299 PolarHBondContact O-N 3.41Å; S1296-L1300 WeakPolarHBondContact O-CB 3.49Å; S1296-L1300 VanDerWaalsContact O-CG 3.3Å; S1296-L1300 WeakPolarHBondContact O-CG 3.39Å; S1296-L1300 PolarHBondContact O-N 3.04Å |
| 1297 | A | 76.1 | Confident | 72.2 | Confident | 48 Ų | 48 | 98.9 Ų | 98.9 | 40% | 0.397 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71.2 | -40.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1293 V1294 L1300 L1301 | I1293-A1297 WeakPolarHBondContact O-CB 3.32Å; I1293-A1297 PolarHBondContact O-N 3.33Å; V1294-A1297 CarbonylContact O-C 3.47Å; V1294-A1297 PolarHBondContact O-N 3.2Å; V1294-A1297 VanDerWaalsContact O-N 3.1Å; A1297-L1300 PolarHBondContact O-N 3.17Å; A1297-L1301 WeakPolarHBondContact O-CB 3.49Å; A1297-L1301 PolarHBondContact O-N 3.05Å |
| 1298 | E | 76.2 | Confident | 70.2 | Confident | 103 Ų | 103 | 98 Ų | 98 | 48% | 0.481 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 169.2 | -73 | 173.4 | 154.4 | 0 | 0 | 110.5 | V1294 L1300 L1301 D1302 | V1294-E1298 HydrophobicContact CG1-CG 4.05Å; V1294-E1298 VanDerWaalsContact O-CB 3.31Å; V1294-E1298 WeakPolarHBondContact O-CB 3.4Å; V1294-E1298 VanDerWaalsContact O-CG 3.29Å; V1294-E1298 WeakPolarHBondContact O-CG 3.45Å; V1294-E1298 PolarHBondContact O-N 3.24Å; E1298-L1300 VanDerWaalsContact C-N 3.31Å; E1298-L1300 PolarHBondContact O-N 3.27Å; E1298-L1301 CarbonylContact O-C 3.53Å; E1298-L1301 WeakPolarHBondContact O-CB 3.42Å; E1298-L1301 PolarHBondContact O-N 3.13Å; E1298-L1301 VanDerWaalsContact O-N 3.16Å; E1298-D1302 VanDerWaalsContact O-CB 3.29Å; E1298-D1302 WeakPolarHBondContact O-CB 3.38Å; E1298-D1302 PolarHBondContact O-N 3.42Å |
| 1299 | S | 70.5 | Confident | 67.7 | Low | 78 Ų | 78 | 98.8 Ų | 98.8 | 55% | 0.545 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.4 | -31.7 | 174.8 | -177 | 0 | 0 | 0 | 0 | 112.8 | R1295 S1296 A1303 | R1295-S1299 WeakPolarHBondContact O-CB 3.48Å; R1295-S1299 PolarHBondContact O-N 2.88Å; S1296-S1299 PolarHBondContact O-N 3.41Å; S1299-A1303 VanDerWaalsContact O-CB 3.24Å; S1299-A1303 WeakPolarHBondContact O-CB 3.33Å; S1299-A1303 PolarHBondContact O-N 3.25Å |
| 1300 | L | 71.5 | Confident | 65.2 | Low | 121 Ų | 121 | 97.4 Ų | 97.4 | 63% | 0.634 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -73.7 | -37.5 | 170.5 | -74.5 | 164.7 | 0 | 0 | 0 | 112.2 | S1296 A1297 E1298 A1303 T1304 | S1296-L1300 WeakPolarHBondContact O-CB 3.49Å; S1296-L1300 VanDerWaalsContact O-CG 3.3Å; S1296-L1300 WeakPolarHBondContact O-CG 3.39Å; S1296-L1300 PolarHBondContact O-N 3.04Å; A1297-L1300 PolarHBondContact O-N 3.17Å; E1298-L1300 VanDerWaalsContact C-N 3.31Å; E1298-L1300 PolarHBondContact O-N 3.27Å; L1300-A1303 PolarHBondContact O-N 3.49Å; L1300-T1304 PolarHBondContact O-N 3.13Å; L1300-T1304 PolarHBondContact O-OG1 3.41Å |
| 1301 | L | 64.8 | Low | 62.9 | Low | 108 Ų | 108 | 100.9 Ų | 100.9 | 57% | 0.565 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.8 | -46.4 | 171.5 | -117.1 | 73.2 | 0 | 0 | 0 | 110.3 | A1297 E1298 T1304 I1305 | A1297-L1301 WeakPolarHBondContact O-CB 3.49Å; A1297-L1301 PolarHBondContact O-N 3.05Å; E1298-L1301 CarbonylContact O-C 3.53Å; E1298-L1301 WeakPolarHBondContact O-CB 3.42Å; E1298-L1301 PolarHBondContact O-N 3.13Å; E1298-L1301 VanDerWaalsContact O-N 3.16Å; L1301-T1304 CarbonylContact O-C 3.41Å; L1301-T1304 VanDerWaalsContact O-CA 3.25Å; L1301-T1304 WeakPolarHBondContact O-CA 3.11Å; L1301-T1304 WeakPolarHBondContact O-CB 3.1Å; L1301-T1304 PolarHBondContact O-N 3.04Å; L1301-I1305 HydrophobicContact CB-CD1 4.17Å; L1301-I1305 HydrophobicContact CD2-CD1 4.14Å; L1301-I1305 HydrophobicContact CG-CD1 4.12Å; L1301-I1305 WeakPolarHBondContact O-CB 3.26Å; L1301-I1305 VanDerWaalsContact O-CG1 3.28Å; L1301-I1305 WeakPolarHBondContact O-CG1 3.48Å; L1301-I1305 PolarHBondContact O-N 3.16Å |
| 1302 | D | 59.5 | Low | 60.6 | Low | 87 Ų | 87 | 103.6 Ų | 103.6 | 47% | 0.465 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -71.2 | -27.1 | 177.9 | -79.1 | -14.7 | 0 | 0 | 0 | 112.4 | E1298 T1304 S1306 | E1298-D1302 VanDerWaalsContact O-CB 3.29Å; E1298-D1302 WeakPolarHBondContact O-CB 3.38Å; E1298-D1302 PolarHBondContact O-N 3.42Å; D1302-T1304 PolarHBondContact O-N 2.94Å; D1302-S1306 WeakPolarHBondContact O-CA 3.32Å; D1302-S1306 WeakPolarHBondContact O-CB 3.46Å; D1302-S1306 PolarHBondContact O-N 3.14Å; D1302-S1306 PolarHBondContact O-OG 3.04Å |
| 1303 | A | 56.5 | Low | 58.2 | Low | 58 Ų | 58 | 105.4 Ų | 105.4 | 48% | 0.479 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.8 | -22.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1299 L1300 R1307 | S1299-A1303 VanDerWaalsContact O-CB 3.24Å; S1299-A1303 WeakPolarHBondContact O-CB 3.33Å; S1299-A1303 PolarHBondContact O-N 3.25Å; L1300-A1303 PolarHBondContact O-N 3.49Å; A1303-R1307 WeakPolarHBondContact O-CD 3.44Å; A1303-R1307 WeakPolarHBondContact O-CG 3.43Å |
| 1304 | T | 54.4 | Low | 56 | Low | 97 Ų | 97 | 108.3 Ų | 108.3 | 60% | 0.595 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -94.7 | -33 | 177.1 | -48.4 | 0 | 0 | 0 | 0 | 112.1 | L1300 L1301 D1302 S1308 | L1300-T1304 PolarHBondContact O-N 3.13Å; L1300-T1304 PolarHBondContact O-OG1 3.41Å; L1301-T1304 CarbonylContact O-C 3.41Å; L1301-T1304 VanDerWaalsContact O-CA 3.25Å; L1301-T1304 WeakPolarHBondContact O-CA 3.11Å; L1301-T1304 WeakPolarHBondContact O-CB 3.1Å; L1301-T1304 PolarHBondContact O-N 3.04Å; D1302-T1304 PolarHBondContact O-N 2.94Å; T1304-S1308 PolarHBondContact O-OG 2.85Å; T1304-S1308 VanDerWaalsContact O-OG 3.09Å |
| 1305 | I | 51.8 | Low | 53.9 | Low | 74 Ų | 74 | 112.3 Ų | 112.3 | 38% | 0.379 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -89.3 | -35.9 | -177.3 | -67.3 | 166.4 | 0 | 0 | 0 | 110.9 | L1301 R1307 S1308 N1309 | L1301-I1305 HydrophobicContact CB-CD1 4.17Å; L1301-I1305 HydrophobicContact CD2-CD1 4.14Å; L1301-I1305 HydrophobicContact CG-CD1 4.12Å; L1301-I1305 WeakPolarHBondContact O-CB 3.26Å; L1301-I1305 VanDerWaalsContact O-CG1 3.28Å; L1301-I1305 WeakPolarHBondContact O-CG1 3.48Å; L1301-I1305 PolarHBondContact O-N 3.16Å; I1305-R1307 PolarHBondContact O-N 3.12Å; I1305-S1308 WeakPolarHBondContact CA-OG 3.36Å; I1305-S1308 CarbonylContact O-C 3.6Å; I1305-S1308 WeakPolarHBondContact O-CA 3.32Å; I1305-S1308 PolarHBondContact O-N 3.02Å; I1305-S1308 PolarHBondContact O-OG 2.85Å; I1305-N1309 PolarHBondContact O-N 2.62Å |
| 1306 | S | 49.5 | Very low | 51.9 | Low | 78 Ų | 78 | 111.7 Ų | 111.7 | 55% | 0.545 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.5 | -14.2 | 168.8 | -53.7 | 0 | 0 | 0 | 0 | 112.7 | D1302 S1308 | D1302-S1306 WeakPolarHBondContact O-CA 3.32Å; D1302-S1306 WeakPolarHBondContact O-CB 3.46Å; D1302-S1306 PolarHBondContact O-N 3.14Å; D1302-S1306 PolarHBondContact O-OG 3.04Å; S1306-S1308 VanDerWaalsContact C-N 3.29Å |
| 1307 | R | 47.9 | Very low | 49.7 | Very low | 230 Ų | 230 | 112.5 Ų | 112.5 | 87% | 0.868 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -8.9 | 164.5 | -84.5 | -177.3 | 174.8 | -172.6 | 0.8 | 113.6 | A1303 I1305 | A1303-R1307 WeakPolarHBondContact O-CD 3.44Å; A1303-R1307 WeakPolarHBondContact O-CG 3.43Å; I1305-R1307 PolarHBondContact O-N 3.12Å |
| 1308 | S | 46.7 | Very low | 47.7 | Very low | 81 Ų | 81 | 117.2 Ų | 117.2 | 57% | 0.566 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131 | -13.8 | -175.2 | 45.3 | 0 | 0 | 0 | 0 | 115.6 | T1304 I1305 S1306 | T1304-S1308 PolarHBondContact O-OG 2.85Å; T1304-S1308 VanDerWaalsContact O-OG 3.09Å; I1305-S1308 WeakPolarHBondContact CA-OG 3.36Å; I1305-S1308 CarbonylContact O-C 3.6Å; I1305-S1308 WeakPolarHBondContact O-CA 3.32Å; I1305-S1308 PolarHBondContact O-N 3.02Å; I1305-S1308 PolarHBondContact O-OG 2.85Å; S1306-S1308 VanDerWaalsContact C-N 3.29Å |
| 1309 | N | 35 | Very low | 45.7 | Very low | 134 Ų | 134 | 119 Ų | 119 | 72% | 0.717 | 66% | 0.655 | S | S | * | * | trans | -145.7 | 89.1 | 171.4 | -80.4 | -61.7 | 0 | 0 | 0 | 111.8 | I1305 | I1305-N1309 PolarHBondContact O-N 2.62Š| ||
| 1310 | S | 33 | Very low | 44.1 | Very low | 95 Ų | 95 | 122.9 Ų | 122.9 | 66% | 0.664 | 66% | 0.664 | S | S | * | * | trans | -91 | 118.4 | 171.4 | 56.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1311 | H | 37.7 | Very low | 42.6 | Very low | 170 Ų | 170 | 124.1 Ų | 124.1 | 79% | 0.787 | 67% | 0.671 | S | S | * | * | trans | 150.8 | 143 | 142.4 | -87.1 | -68.9 | 0 | 0 | 0 | 112.9 | ||||
| 1312 | I | 35.9 | Very low | 41.4 | Very low | 152 Ų | 152 | 126.6 Ų | 126.6 | 78% | 0.779 | 68% | 0.684 | S | S | * | * | trans | 64.4 | 105.3 | 164.8 | -55.5 | 148.2 | 0 | 0 | 0 | 114.1 | ||||
| 1313 | S | 33.9 | Very low | 40.6 | Very low | 101 Ų | 101 | 127.5 Ų | 127.5 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | cis | 64.7 | 102.3 | 13.9 | -168.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 1314 | M | 37.6 | Very low | 39.8 | Very low | 156 Ų | 156 | 133.1 Ų | 133.1 | 77% | 0.768 | 72% | 0.716 | S | S | * | * | 171.9 | 152.7 | 123.5 | -94.5 | -175.5 | -67.6 | 0 | 0 | 113.7 | |||||
| 1315 | M | 36.1 | Very low | 39.1 | Very low | 150 Ų | 150 | 131.4 Ų | 131.4 | 74% | 0.739 | 72% | 0.718 | S | S | * | * | trans | 71.4 | 148.6 | 164 | -49.1 | -141.6 | 173.5 | 0 | 0 | 117.4 | ||||
| 1316 | Q | 36.7 | Very low | 38.6 | Very low | 161 Ų | 161 | 135.4 Ų | 135.4 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | cis | -157.2 | 130.4 | -15.6 | -107.2 | 165.2 | -10 | 0 | 0 | 105.3 | ||||
| 1317 | A | 33.2 | Very low | 38.1 | Very low | 80 Ų | 80 | 143.4 Ų | 143.4 | 66% | 0.661 | 77% | 0.774 | S | S | * | * | 81.5 | 115.3 | 68.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 1318 | N | 32.7 | Very low | 37.6 | Very low | 147 Ų | 147 | 139.1 Ų | 139.1 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | trans | 82 | 158.6 | 154.1 | -60.5 | -7.8 | 0 | 0 | 0 | 121.9 | ||||
| 1319 | N | 35.2 | Very low | 37.1 | Very low | 140 Ų | 140 | 142.2 Ų | 142.2 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | trans | 80.6 | 145.3 | 169.1 | -53.2 | -18 | 0 | 0 | 0 | 117.5 | ||||
| 1320 | H | 36.7 | Very low | 37.3 | Very low | 161 Ų | 161 | 142.6 Ų | 142.6 | 75% | 0.745 | 78% | 0.784 | S | S | * | * | cis | -174.8 | 164.1 | -35.4 | -112.4 | -50.5 | 0 | 0 | 0 | 108.4 | ||||
| 1321 | L | 39.3 | Very low | 37.5 | Very low | 147 Ų | 147 | 145.4 Ų | 145.4 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | trans | 65.2 | 118.4 | 170.6 | -60.2 | 128.8 | 0 | 0 | 0 | 114.9 | ||||
| 1322 | L | 40.7 | Very low | 37.5 | Very low | 159 Ų | 159 | 143.9 Ų | 143.9 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | 87.9 | 139.6 | 60.5 | -80.2 | 167.7 | 0 | 0 | 0 | 113.6 | |||||
| 1323 | P | 42.3 | Very low | 37.6 | Very low | 107 Ų | 107 | 143.3 Ų | 143.3 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | trans | -105.2 | 161.2 | -170.4 | 40.9 | -35.3 | 0 | 0 | 0 | 114.7 | ||||
| 1324 | D | 40.2 | Very low | 37.9 | Very low | 175 Ų | 175 | 146.4 Ų | 146.4 | 94% | 0.936 | 80% | 0.798 | S | S | * | * | trans | -166.1 | 160.1 | 153.8 | -91.2 | -40.8 | 0 | 0 | 0 | 106.3 | ||||
| 1325 | G | 38.5 | Very low | 37.9 | Very low | 61 Ų | 61 | 145.6 Ų | 145.6 | 63% | 0.629 | 80% | 0.8 | S | S | * | * | cis | 167.2 | 128.7 | -5.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1326 | N | 41.9 | Very low | 38 | Very low | 159 Ų | 159 | 145.3 Ų | 145.3 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | trans | 39.2 | 111.3 | 167.7 | -58.8 | -19.1 | 0 | 0 | 0 | 120.5 | ||||
| 1327 | I | 39 | Very low | 38.2 | Very low | 246 Ų | 246 | 143.8 Ų | 143.8 | 100% | 1.262 | 81% | 0.81 | S | S | * | * | -132.6 | 0 | 97.6 | -68.2 | -168.3 | 0 | 0 | 0 | 107.6 |
Retrieved 1,327 of 1,327 residues in 344.1 ms
(Link to these results)