| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.4 | Very low | 44 | Very low | 227 Ų | 227 | 151.5 Ų | 151.5 | 100% | 1.118 | 78% | 0.783 | S | S | * | * | 0 | 102.8 | 0 | -63 | 167.2 | -174.2 | 0 | 0 | 105.4 | |||||
| 2 | I | 45.6 | Very low | 43.5 | Very low | 154 Ų | 154 | 146.3 Ų | 146.3 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | 73.3 | 118.4 | 82.8 | -66.1 | 162.6 | 0 | 0 | 0 | 108.9 | |||||
| 3 | F | 43.7 | Very low | 42.9 | Very low | 191 Ų | 191 | 144.3 Ų | 144.3 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | cis | -165.2 | 161.2 | 1 | -141.8 | -116.4 | 0 | 0 | 0 | 107.2 | ||||
| 4 | S | 47.1 | Very low | 42.7 | Very low | 74 Ų | 74 | 142.9 Ų | 142.9 | 52% | 0.517 | 77% | 0.767 | S | S | . | * | cis | -163.8 | 125.5 | -32.8 | -86.4 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 5 | Q | 48.1 | Very low | 42.7 | Very low | 181 Ų | 181 | 141.2 Ų | 141.2 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | 70.1 | 142.2 | 94.6 | -86.3 | -89.2 | -51.7 | 0 | 0 | 116.8 | |||||
| 6 | P | 53.9 | Low | 42.8 | Very low | 98 Ų | 98 | 139.6 Ų | 139.6 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | trans | -109.9 | -175.5 | -171.6 | 43.6 | -35.4 | 0 | 0 | 0 | 113.9 | ||||
| 7 | F | 42.3 | Very low | 42.5 | Very low | 190 Ų | 190 | 138.2 Ų | 138.2 | 83% | 0.833 | 77% | 0.766 | S | S | * | * | trans | -171.3 | 144.3 | 143.5 | -119.6 | -124.2 | 0 | 0 | 0 | 107.8 | ||||
| 8 | C | 37.6 | Very low | 42.1 | Very low | 103 Ų | 103 | 138.5 Ų | 138.5 | 70% | 0.696 | 77% | 0.765 | S | S | * | * | cis | 83.4 | 96.2 | 40.8 | -83.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 9 | Q | 43.7 | Very low | 42 | Very low | 189 Ų | 189 | 139.3 Ų | 139.3 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | trans | -162.9 | 129.3 | 147.5 | -98.4 | 162.9 | 30.1 | 0 | 0 | 106.4 | ||||
| 10 | S | 38.9 | Very low | 42 | Very low | 87 Ų | 87 | 137.4 Ų | 137.4 | 61% | 0.608 | 77% | 0.765 | S | S | * | * | cis | 115.7 | 142.2 | 7.7 | 71.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 11 | M | 41.3 | Very low | 42.1 | Very low | 172 Ų | 172 | 135.7 Ų | 135.7 | 85% | 0.847 | 76% | 0.76 | S | S | * | * | trans | 75.6 | 146.6 | 174.8 | -46.8 | -51.1 | 172.5 | 0 | 0 | 116.1 | ||||
| 12 | S | 37.9 | Very low | 41.7 | Very low | 89 Ų | 89 | 130.2 Ų | 130.2 | 62% | 0.622 | 74% | 0.74 | S | S | * | * | cis | -173 | 152.1 | -25.3 | 50 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 13 | T | 35.3 | Very low | 41.2 | Very low | 121 Ų | 121 | 129.6 Ų | 129.6 | 74% | 0.742 | 73% | 0.733 | S | S | * | * | trans | 28.1 | 130.9 | 145.2 | 63.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 14 | T | 40.4 | Very low | 40.7 | Very low | 124 Ų | 124 | 129.4 Ų | 129.4 | 76% | 0.761 | 73% | 0.729 | S | S | * | * | -165 | 167.7 | 52.5 | 44.5 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 15 | S | 42.5 | Very low | 40.2 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | trans | -95.6 | 150.2 | 149.8 | -49.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 16 | P | 44.5 | Very low | 39.5 | Very low | 116 Ų | 116 | 127.6 Ų | 127.6 | 75% | 0.753 | 73% | 0.726 | S | S | * | * | -146.2 | 167.6 | 120.9 | 36.4 | -20.1 | 0 | 0 | 0 | 116.9 | |||||
| 17 | T | 37.1 | Very low | 38.5 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 71% | 0.712 | 74% | 0.738 | S | S | * | * | trans | -47.4 | 171.9 | 173.3 | 53.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 18 | L | 36.2 | Very low | 38.4 | Very low | 143 Ų | 143 | 128.8 Ų | 128.8 | 75% | 0.749 | 73% | 0.732 | S | S | * | * | trans | 79.7 | 115.6 | 147.7 | -80 | 154.8 | 0 | 0 | 0 | 118.6 | ||||
| 19 | N | 39 | Very low | 38.2 | Very low | 154 Ų | 154 | 134.5 Ų | 134.5 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | -174.1 | 123.9 | 102.4 | -88 | -26.7 | 0 | 0 | 0 | 112.5 | |||||
| 20 | S | 41.9 | Very low | 37.8 | Very low | 101 Ų | 101 | 131 Ų | 131 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | trans | -85.2 | 159.9 | 143.7 | 60.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 21 | P | 44.6 | Very low | 37.8 | Very low | 102 Ų | 102 | 135.7 Ų | 135.7 | 66% | 0.662 | 74% | 0.743 | S | S | * | * | -159.3 | -166.1 | 80.7 | 40.3 | -17.8 | 0 | 0 | 0 | 115.5 | |||||
| 22 | T | 35.2 | Very low | 37.6 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 69% | 0.687 | 74% | 0.741 | S | S | * | * | trans | 66.2 | 150.9 | 150.9 | 51.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 23 | Q | 34.9 | Very low | 37.8 | Very low | 140 Ų | 140 | 138 Ų | 138 | 65% | 0.654 | 75% | 0.746 | S | S | * | * | cis | -167.3 | 155.4 | -7.8 | -120.2 | 167.2 | -6.1 | 0 | 0 | 110.9 | ||||
| 24 | Y | 31.3 | Very low | 38.2 | Very low | 188 Ų | 188 | 139.5 Ų | 139.5 | 74% | 0.737 | 75% | 0.745 | S | S | * | * | trans | 55.2 | 164 | 156.6 | -64.8 | -59.4 | 0 | 0 | 0 | 117.6 | ||||
| 25 | D | 38.1 | Very low | 38.3 | Very low | 131 Ų | 131 | 140.6 Ų | 140.6 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | cis | -139.8 | 140.9 | -9.4 | -108.6 | -32.8 | 0 | 0 | 0 | 106.1 | ||||
| 26 | S | 32.9 | Very low | 38.2 | Very low | 86 Ų | 86 | 141.8 Ų | 141.8 | 60% | 0.601 | 74% | 0.74 | S | S | * | * | 91.3 | 126.6 | 64.1 | -60.4 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 27 | F | 31.8 | Very low | 38.1 | Very low | 202 Ų | 202 | 141.6 Ų | 141.6 | 89% | 0.886 | 74% | 0.737 | S | S | * | * | trans | 76.7 | 144.4 | 167.5 | -70 | -77.4 | 0 | 0 | 0 | 122 | ||||
| 28 | P | 42.1 | Very low | 38.2 | Very low | 110 Ų | 110 | 146.5 Ų | 146.5 | 71% | 0.714 | 74% | 0.743 | S | S | * | * | trans | -113.1 | 169.8 | 178.9 | 42.8 | -33.5 | 0 | 0 | 0 | 114.2 | ||||
| 29 | R | 32.4 | Very low | 38.4 | Very low | 224 Ų | 224 | 147.4 Ų | 147.4 | 85% | 0.845 | 74% | 0.741 | S | S | * | * | trans | -163.4 | 131.7 | 154.8 | -104.2 | 160.7 | -166.3 | -99.9 | 2.2 | 108.1 | ||||
| 30 | T | 34.5 | Very low | 38.5 | Very low | 114 Ų | 114 | 146 Ų | 146 | 70% | 0.699 | 73% | 0.732 | S | S | * | * | 52.7 | 136.5 | 97 | 76.3 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 31 | E | 39.5 | Very low | 38.3 | Very low | 187 Ų | 187 | 148.6 Ų | 148.6 | 87% | 0.874 | 74% | 0.738 | S | S | * | * | cis | -134 | -174.9 | 25 | -75.6 | -178.9 | 154.1 | 0 | 0 | 114.6 | ||||
| 32 | E | 37.6 | Very low | 37.8 | Very low | 174 Ų | 174 | 148 Ų | 148 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | trans | -67.2 | 165.3 | 179.3 | -52.2 | 173.2 | 113.7 | 0 | 0 | 113.1 | ||||
| 33 | N | 41.3 | Very low | 38 | Very low | 136 Ų | 136 | 148.7 Ų | 148.7 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | -168.9 | 123.7 | 114.8 | -103.3 | -68.7 | 0 | 0 | 0 | 112.6 | |||||
| 34 | H | 45.2 | Very low | 38 | Very low | 152 Ų | 152 | 146.9 Ų | 146.9 | 70% | 0.704 | 74% | 0.741 | S | S | * | * | trans | 48.3 | 124.2 | 161.5 | -63 | -61.5 | 0 | 0 | 0 | 121.2 | ||||
| 35 | L | 40.9 | Very low | 38.3 | Very low | 147 Ų | 147 | 145.9 Ų | 145.9 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | 63.6 | 128.2 | 80.5 | -108.5 | 71.7 | 0 | 0 | 0 | 112.6 | |||||
| 36 | I | 42 | Very low | 38.5 | Very low | 142 Ų | 142 | 146.5 Ų | 146.5 | 73% | 0.728 | 75% | 0.752 | S | S | * | * | cis | -137.3 | 140.2 | 26.6 | -71.2 | 178.6 | 0 | 0 | 0 | 113.1 | ||||
| 37 | T | 40.5 | Very low | 38.8 | Very low | 112 Ų | 112 | 149.7 Ų | 149.7 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | trans | 15.6 | 120.3 | 144.8 | -41.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 38 | R | 39.3 | Very low | 39.3 | Very low | 219 Ų | 219 | 146 Ų | 146 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | 64.3 | 161.6 | 63.3 | -68.4 | 179.4 | 163.7 | -174.5 | -2.1 | 113.3 | |||||
| 39 | K | 42.1 | Very low | 39.2 | Very low | 162 Ų | 162 | 147.3 Ų | 147.3 | 70% | 0.704 | 76% | 0.757 | S | S | * | * | cis | -163.8 | 163 | -3.6 | -125.5 | -170.3 | 171 | -157.7 | 0 | 105.4 | ||||
| 40 | L | 39.7 | Very low | 39.6 | Very low | 125 Ų | 125 | 143.1 Ų | 143.1 | 65% | 0.654 | 75% | 0.749 | S | S | * | * | cis | -117.7 | -149.2 | -8.3 | -88.5 | 168.4 | 0 | 0 | 0 | 106.8 | ||||
| 41 | L | 38.9 | Very low | 40 | Very low | 156 Ų | 156 | 144 Ų | 144 | 82% | 0.817 | 75% | 0.745 | S | S | * | * | cis | 66.2 | 167.2 | 9.6 | -59 | 173.1 | 0 | 0 | 0 | 117.1 | ||||
| 42 | S | 34 | Very low | 40.2 | Very low | 89 Ų | 89 | 143.1 Ų | 143.1 | 62% | 0.622 | 74% | 0.738 | S | S | * | * | cis | 161.6 | 111.7 | -46.3 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 43 | V | 38 | Very low | 40.3 | Very low | 127 Ų | 127 | 140.2 Ų | 140.2 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | trans | 76.4 | 147.6 | 147.6 | 172 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 44 | C | 36.4 | Very low | 40.3 | Very low | 101 Ų | 101 | 139.4 Ų | 139.4 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | trans | 66.7 | 150 | 172.3 | -73.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 45 | E | 37.3 | Very low | 40 | Very low | 168 Ų | 168 | 140.3 Ų | 140.3 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | cis | 177.6 | 137.4 | -28.3 | -119.1 | 173.8 | 162 | 0 | 0 | 106.1 | ||||
| 46 | T | 41.9 | Very low | 39.6 | Very low | 144 Ų | 144 | 137.3 Ų | 137.3 | 88% | 0.883 | 74% | 0.739 | S | S | * | * | trans | 169.6 | 146.5 | 142.8 | 24.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 47 | D | 39.2 | Very low | 39.2 | Very low | 152 Ų | 152 | 136.5 Ų | 136.5 | 81% | 0.813 | 74% | 0.741 | S | S | * | * | trans | -79.1 | 158.8 | 179 | -49.1 | -96.4 | 0 | 0 | 0 | 113.5 | ||||
| 48 | T | 41.6 | Very low | 39 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | 171.7 | 136.4 | 112.3 | -72.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 49 | L | 40.7 | Very low | 39 | Very low | 137 Ų | 137 | 132.1 Ų | 132.1 | 72% | 0.717 | 74% | 0.742 | S | S | * | * | trans | -25.5 | 140.7 | 173.5 | -61 | 90.9 | 0 | 0 | 0 | 118.8 | ||||
| 50 | M | 41.1 | Very low | 39 | Very low | 136 Ų | 136 | 131.8 Ų | 131.8 | 67% | 0.67 | 74% | 0.743 | S | S | * | * | -172.4 | 120.4 | 105.5 | -99.2 | -70.4 | 105.9 | 0 | 0 | 115.6 | |||||
| 51 | Q | 42.7 | Very low | 39.1 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 62% | 0.621 | 74% | 0.743 | S | S | * | * | trans | 53.1 | 139.7 | 140.1 | -80.3 | -177.6 | 27.9 | 0 | 0 | 124.9 | ||||
| 52 | K | 42.6 | Very low | 39.2 | Very low | 167 Ų | 167 | 131.5 Ų | 131.5 | 73% | 0.726 | 74% | 0.743 | S | S | * | * | trans | 87.7 | 79.7 | 144.3 | -73.2 | 159.7 | 177.7 | 153.2 | 0 | 121.4 | ||||
| 53 | S | 41.2 | Very low | 39.6 | Very low | 113 Ų | 113 | 134.3 Ų | 134.3 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | 62.3 | 148.6 | 116.5 | 52.6 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 54 | P | 41.4 | Very low | 39.6 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | trans | -107.3 | 165 | -167.9 | 42.2 | -35.9 | 0 | 0 | 0 | 115.8 | ||||
| 55 | I | 38.1 | Very low | 39.7 | Very low | 171 Ų | 171 | 137 Ų | 137 | 88% | 0.877 | 74% | 0.743 | S | S | * | * | trans | 174.1 | 149.6 | 158.9 | -97.3 | 150.8 | 0 | 0 | 0 | 105.8 | ||||
| 56 | S | 33.1 | Very low | 39.7 | Very low | 85 Ų | 85 | 135.4 Ų | 135.4 | 59% | 0.594 | 74% | 0.737 | S | S | * | * | cis | -176.2 | 152.1 | -38.7 | 66.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 57 | T | 33.4 | Very low | 39.5 | Very low | 125 Ų | 125 | 136.6 Ų | 136.6 | 77% | 0.767 | 73% | 0.731 | S | S | * | * | trans | 68 | 147.3 | 150.1 | 53.3 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 58 | V | 36.1 | Very low | 39.4 | Very low | 140 Ų | 140 | 137.2 Ų | 137.2 | 85% | 0.848 | 73% | 0.729 | S | S | * | * | trans | 90.6 | 107.9 | 157.1 | -163.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 59 | S | 39.7 | Very low | 39 | Very low | 98 Ų | 98 | 136.5 Ų | 136.5 | 69% | 0.685 | 73% | 0.729 | S | S | * | * | trans | 151 | 135.1 | 143.3 | 175.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 60 | E | 41.4 | Very low | 38.8 | Very low | 156 Ų | 156 | 134.7 Ų | 134.7 | 73% | 0.729 | 73% | 0.734 | S | S | * | * | cis | -156.3 | 138.4 | -17.2 | -118 | 158.5 | 122.8 | 0 | 0 | 113.1 | ||||
| 61 | N | 41.3 | Very low | 38.7 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 66% | 0.663 | 74% | 0.741 | S | S | * | * | trans | 30 | 111.3 | 139.9 | -60.6 | -26 | 0 | 0 | 0 | 122.9 | ||||
| 62 | N | 42.2 | Very low | 38.3 | Very low | 150 Ų | 150 | 138.5 Ų | 138.5 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | -161.3 | 111.2 | 118.1 | -92.6 | -36 | 0 | 0 | 0 | 107.6 | |||||
| 63 | Q | 42.1 | Very low | 37.9 | Very low | 149 Ų | 149 | 142 Ų | 142 | 70% | 0.696 | 76% | 0.76 | S | S | * | * | 59.8 | 121.5 | 79.3 | -70.7 | -154.6 | 62.3 | 0 | 0 | 113.2 | |||||
| 64 | L | 37 | Very low | 37.5 | Very low | 123 Ų | 123 | 140.4 Ų | 140.4 | 64% | 0.644 | 75% | 0.748 | S | S | * | * | cis | -144.9 | 152.9 | 7.1 | -79 | 113.1 | 0 | 0 | 0 | 112.4 | ||||
| 65 | Q | 39.2 | Very low | 37.3 | Very low | 160 Ų | 160 | 141.8 Ų | 141.8 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | trans | 55.5 | 151.2 | 137.8 | -68.9 | -176.5 | -4.8 | 0 | 0 | 121.5 | ||||
| 66 | M | 37.4 | Very low | 37.3 | Very low | 135 Ų | 135 | 142.4 Ų | 142.4 | 67% | 0.665 | 75% | 0.748 | S | S | * | * | cis | -155.8 | 152.2 | -10.3 | -104 | -134.9 | -62.8 | 0 | 0 | 109.5 | ||||
| 67 | F | 38.5 | Very low | 37.6 | Very low | 169 Ų | 169 | 147.9 Ų | 147.9 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | trans | 35.8 | 113 | 151.1 | -69.6 | -108.7 | 0 | 0 | 0 | 119.8 | ||||
| 68 | Q | 37.2 | Very low | 37.8 | Very low | 166 Ų | 166 | 146.6 Ų | 146.6 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | 71.5 | 120.8 | 75.9 | -75.3 | -165.2 | 4.6 | 0 | 0 | 117.2 | |||||
| 69 | S | 32.5 | Very low | 37.7 | Very low | 110 Ų | 110 | 147.2 Ų | 147.2 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | trans | 84.2 | 94.3 | 140 | -58.7 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 70 | A | 35.8 | Very low | 37.7 | Very low | 99 Ų | 99 | 150.7 Ų | 150.7 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | 83.2 | 163.3 | 128.9 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 71 | K | 39.8 | Very low | 37.6 | Very low | 190 Ų | 190 | 150.1 Ų | 150.1 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | trans | 78.6 | 106.9 | 172.2 | -73.1 | 177.1 | 174.8 | 173.8 | 0 | 119.5 | ||||
| 72 | L | 34.2 | Very low | 37.6 | Very low | 159 Ų | 159 | 150.8 Ų | 150.8 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | 39.6 | 130.4 | 114.9 | -64.4 | 170.7 | 0 | 0 | 0 | 120 | |||||
| 73 | R | 33.5 | Very low | 37.4 | Very low | 242 Ų | 242 | 150 Ų | 150 | 91% | 0.913 | 76% | 0.759 | S | S | * | * | trans | 67.9 | 157.2 | 160.5 | -72.7 | -177.7 | 175.6 | 154.7 | -4 | 116.4 | ||||
| 74 | S | 32.8 | Very low | 37.3 | Very low | 78 Ų | 78 | 149.5 Ų | 149.5 | 55% | 0.545 | 76% | 0.761 | S | S | . | * | cis | -167.1 | 168.2 | -32.1 | 52.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 75 | D | 38.5 | Very low | 37.6 | Very low | 149 Ų | 149 | 149.7 Ų | 149.7 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | 71.4 | 173.4 | 155.9 | -43.6 | -42 | 0 | 0 | 0 | 119.4 | ||||
| 76 | E | 36.9 | Very low | 37.6 | Very low | 183 Ų | 183 | 147 Ų | 147 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | trans | -80.5 | 147.6 | -150.6 | -56.3 | 171.8 | 99.2 | 0 | 0 | 117.1 | ||||
| 77 | F | 39.3 | Very low | 37.3 | Very low | 201 Ų | 201 | 147.7 Ų | 147.7 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | trans | -147.1 | 144.1 | 148.9 | -91 | -98.9 | 0 | 0 | 0 | 107.9 | ||||
| 78 | S | 39.1 | Very low | 37.4 | Very low | 98 Ų | 98 | 148.7 Ų | 148.7 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | cis | -163.9 | 165.3 | -17.2 | -110.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 79 | L | 33.1 | Very low | 37.1 | Very low | 153 Ų | 153 | 148.3 Ų | 148.3 | 80% | 0.801 | 78% | 0.78 | S | S | * | * | trans | -61 | 140.1 | 175.8 | -147.3 | 76.8 | 0 | 0 | 0 | 112.9 | ||||
| 80 | I | 40.1 | Very low | 37.4 | Very low | 170 Ų | 170 | 149.7 Ų | 149.7 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | trans | -125.8 | 139.5 | 150.9 | -64.8 | -176 | 0 | 0 | 0 | 107.8 | ||||
| 81 | Q | 39.9 | Very low | 37.3 | Very low | 144 Ų | 144 | 149.9 Ų | 149.9 | 67% | 0.673 | 78% | 0.779 | S | S | * | * | trans | -114.7 | 163 | -164.4 | -175.7 | -178.7 | -1.9 | 0 | 0 | 110.3 | ||||
| 82 | M | 39.7 | Very low | 37.1 | Very low | 138 Ų | 138 | 152.2 Ų | 152.2 | 68% | 0.68 | 78% | 0.782 | S | S | * | * | trans | 147.8 | 132 | 135.1 | -77.5 | -47.2 | -177.7 | 0 | 0 | 113.8 | ||||
| 83 | N | 39.6 | Very low | 37 | Very low | 134 Ų | 134 | 149 Ų | 149 | 72% | 0.717 | 77% | 0.773 | S | S | * | * | trans | 69.4 | 140.7 | 148 | -55.3 | 4.3 | 0 | 0 | 0 | 120 | ||||
| 84 | D | 39.5 | Very low | 37.2 | Very low | 138 Ų | 138 | 144.4 Ų | 144.4 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | cis | -167.3 | 163.3 | -25.7 | -129.5 | -38.4 | 0 | 0 | 0 | 113.7 | ||||
| 85 | V | 43.1 | Very low | 37.2 | Very low | 128 Ų | 128 | 146.2 Ų | 146.2 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | 69 | 146.7 | 154.9 | 168.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 86 | P | 39.8 | Very low | 37.3 | Very low | 104 Ų | 104 | 146.9 Ų | 146.9 | 68% | 0.675 | 78% | 0.777 | S | S | * | * | trans | -136.1 | 177.7 | -152 | 44 | -25.7 | 0 | 0 | 0 | 118.8 | ||||
| 87 | N | 31.4 | Very low | 37.4 | Very low | 148 Ų | 148 | 145.9 Ų | 145.9 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | 37.3 | 122.2 | 146.9 | -72.3 | -19.1 | 0 | 0 | 0 | 121.7 | ||||
| 88 | Q | 39.9 | Very low | 37.8 | Very low | 191 Ų | 191 | 141.8 Ų | 141.8 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | trans | -138.6 | 140.5 | 136.6 | -71.3 | -161.3 | 6.2 | 0 | 0 | 112 | ||||
| 89 | N | 31.2 | Very low | 38.3 | Very low | 157 Ų | 157 | 142.5 Ų | 142.5 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | trans | -94.9 | 133.6 | 172.3 | -71.6 | -65.5 | 0 | 0 | 0 | 110.3 | ||||
| 90 | V | 39.1 | Very low | 38.4 | Very low | 140 Ų | 140 | 141.1 Ų | 141.1 | 85% | 0.848 | 77% | 0.77 | S | S | * | * | trans | -141.6 | 124.6 | 154 | -175.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 91 | S | 32.3 | Very low | 38.3 | Very low | 103 Ų | 103 | 138.4 Ų | 138.4 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | trans | -92.5 | 142.6 | 176.2 | -35.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 92 | R | 35.6 | Very low | 38 | Very low | 238 Ų | 238 | 138.3 Ų | 138.3 | 90% | 0.898 | 77% | 0.77 | S | S | * | * | 175.4 | 122.9 | 128.6 | -97.5 | 156.8 | 179.8 | 165.1 | 0.5 | 115.4 | |||||
| 93 | S | 33.6 | Very low | 37.8 | Very low | 92 Ų | 92 | 139.6 Ų | 139.6 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | trans | 12.1 | 124.3 | 137.3 | 56.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 94 | N | 36.7 | Very low | 37.5 | Very low | 145 Ų | 145 | 141.1 Ų | 141.1 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | -174.6 | 119.6 | 112 | -87.2 | -25.8 | 0 | 0 | 0 | 108.8 | |||||
| 95 | T | 32.6 | Very low | 37.5 | Very low | 117 Ų | 117 | 141.5 Ų | 141.5 | 72% | 0.718 | 78% | 0.784 | S | S | * | * | 71.1 | 105 | 81.2 | -54.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 96 | I | 40.3 | Very low | 37.3 | Very low | 163 Ų | 163 | 140.6 Ų | 140.6 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | trans | -170.9 | 114.5 | 138.5 | -93.8 | 148.3 | 0 | 0 | 0 | 109.6 | ||||
| 97 | L | 40 | Very low | 37.2 | Very low | 161 Ų | 161 | 140.5 Ų | 140.5 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | trans | -102.3 | 166.1 | 147.6 | -70.9 | 172.9 | 0 | 0 | 0 | 105.2 | ||||
| 98 | P | 46.9 | Very low | 37.4 | Very low | 115 Ų | 115 | 136.5 Ų | 136.5 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | cis | -150 | -146.7 | 44.7 | 45.4 | -21.4 | 0 | 0 | 0 | 111 | ||||
| 99 | P | 49.5 | Very low | 37.1 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 74% | 0.74 | 73% | 0.733 | S | S | * | * | cis | -129.9 | 164.3 | -12.9 | 37.3 | -19.3 | 0 | 0 | 0 | 116.9 | ||||
| 100 | V | 34.7 | Very low | 37.2 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | trans | -94.6 | 142.6 | 159.3 | 175.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 101 | S | 39.8 | Very low | 37 | Very low | 113 Ų | 113 | 129.5 Ų | 129.5 | 79% | 0.79 | 71% | 0.71 | S | S | * | * | trans | -136.2 | 102.8 | 167 | 59.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 102 | N | 32.9 | Very low | 37.1 | Very low | 141 Ų | 141 | 132.3 Ų | 132.3 | 75% | 0.754 | 71% | 0.713 | S | S | * | * | trans | -75.6 | 138.3 | 172.2 | -60.8 | -33.9 | 0 | 0 | 0 | 111 | ||||
| 103 | I | 35.3 | Very low | 37 | Very low | 166 Ų | 166 | 125.2 Ų | 125.2 | 85% | 0.851 | 70% | 0.7 | S | S | * | * | trans | -162.3 | 97.5 | 151.4 | -89.7 | 132.6 | 0 | 0 | 0 | 103.8 | ||||
| 104 | L | 34.3 | Very low | 37 | Very low | 165 Ų | 165 | 129.6 Ų | 129.6 | 86% | 0.864 | 71% | 0.71 | S | S | * | * | 90 | 113 | 82.7 | -166.8 | 67.6 | 0 | 0 | 0 | 112.4 | |||||
| 105 | M | 37.4 | Very low | 36.9 | Very low | 146 Ų | 146 | 127.8 Ų | 127.8 | 72% | 0.719 | 70% | 0.701 | S | S | * | * | trans | -76.5 | 174.5 | 171.5 | -78.9 | -173.3 | 75.7 | 0 | 0 | 111 | N107 | M105-N107 WeakPolarHBondContact CE-OD1 3.45Š| ||
| 106 | P | 41 | Very low | 37 | Very low | 109 Ų | 109 | 127.7 Ų | 127.7 | 71% | 0.708 | 70% | 0.7 | S | S | * | * | cis | -151.6 | -179.2 | 30.7 | 44.6 | -22.5 | 0 | 0 | 0 | 120.5 | ||||
| 107 | N | 37.3 | Very low | 36.9 | Very low | 103 Ų | 103 | 127.9 Ų | 127.9 | 55% | 0.551 | 70% | 0.695 | S | S | * | * | trans | -19.1 | 152.9 | 155 | -34.3 | -25.4 | 0 | 0 | 0 | 118.2 | M105 | M105-N107 WeakPolarHBondContact CE-OD1 3.45Š| ||
| 108 | N | 35.5 | Very low | 36.5 | Very low | 63 Ų | 63 | 128.2 Ų | 128.2 | 34% | 0.337 | 69% | 0.692 | S | S | . | * | 172.5 | 148.2 | 96.3 | -96.9 | -37.6 | 0 | 0 | 0 | 119 | C499 H501 | N108-C499 WeakPolarHBondContact CB-O 3.43Å; N108-C499 PolarHBondContact ND2-O 3.47Å; N108-H501 WeakPolarHBondContact O-CA 3.49Å | |||
| 109 | M | 33.6 | Very low | 35.9 | Very low | 93 Ų | 93 | 131 Ų | 131 | 46% | 0.458 | 70% | 0.697 | S | S | . | * | trans | 61 | 119.2 | 140.6 | -61.6 | -92.1 | 72.4 | 0 | 0 | 124 | I111 N500 | M109-I111 HydrophobicContact CE-CD1 3.78Å; M109-I111 HydrophobicContact CE-CG1 3.69Å; M109-I111 HydrophobicContact SD-CD1 3.56Å; M109-I111 VanDerWaalsContact SD-CD1 3.56Å; M109-I111 HydrophobicContact SD-CG1 4.14Å; M109-N500 WeakPolarHBondContact CB-OD1 3.42Å | ||
| 110 | H | 33.5 | Very low | 35.2 | Very low | 150 Ų | 150 | 130.2 Ų | 130.2 | 69% | 0.694 | 69% | 0.691 | S | S | * | * | -170.5 | 117.6 | 107.5 | -144.1 | 72.6 | 0 | 0 | 0 | 107.9 | |||||
| 111 | I | 35 | Very low | 35.1 | Very low | 99 Ų | 99 | 130.1 Ų | 130.1 | 51% | 0.508 | 69% | 0.686 | S | S | . | * | 69.3 | 113.2 | 62.3 | -64.5 | -179.6 | 0 | 0 | 0 | 114.8 | M109 | M109-I111 HydrophobicContact CE-CD1 3.78Å; M109-I111 HydrophobicContact CE-CG1 3.69Å; M109-I111 HydrophobicContact SD-CD1 3.56Å; M109-I111 VanDerWaalsContact SD-CD1 3.56Å; M109-I111 HydrophobicContact SD-CG1 4.14Å | |||
| 112 | M | 33.6 | Very low | 34.8 | Very low | 161 Ų | 161 | 129.1 Ų | 129.1 | 79% | 0.793 | 68% | 0.679 | S | S | * | * | trans | 169.9 | 112.4 | 144 | -78 | -132.6 | 84.9 | 0 | 0 | 103.8 | ||||
| 113 | S | 32.7 | Very low | 34.9 | Very low | 89 Ų | 89 | 131.7 Ų | 131.7 | 62% | 0.622 | 68% | 0.679 | S | S | * | * | cis | 56 | 124.9 | 38.6 | -52.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 114 | E | 33.8 | Very low | 34.9 | Very low | 184 Ų | 184 | 133.5 Ų | 133.5 | 86% | 0.86 | 68% | 0.677 | S | S | * | * | cis | -123.5 | -172.2 | 15.5 | -64.2 | 164.2 | 126.2 | 0 | 0 | 109.5 | ||||
| 115 | D | 35 | Very low | 34.9 | Very low | 108 Ų | 108 | 130 Ų | 130 | 58% | 0.578 | 67% | 0.666 | S | S | * | * | cis | -161.6 | 144.1 | 26 | -175.6 | 9.6 | 0 | 0 | 0 | 109.9 | K117 | D115-K117 WeakPolarHBondContact OD1-CE 3.4Å; D115-K117 IonicContact OD1-NZ 3Å; D115-K117 PolarHBondContact OD1-NZ 2.73Å; D115-K117 WeakPolarHBondContact OD2-CE 3.48Å; D115-K117 IonicContact OD2-NZ 3.32Å; D115-K117 PolarHBondContact OD2-NZ 2.94Å | ||
| 116 | T | 34.3 | Very low | 34.8 | Very low | 115 Ų | 115 | 128.7 Ų | 128.7 | 71% | 0.706 | 67% | 0.671 | S | S | * | * | trans | -129.2 | 113.2 | -178.1 | -64.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 117 | K | 37.8 | Very low | 34.4 | Very low | 166 Ų | 166 | 128 Ų | 128 | 72% | 0.722 | 68% | 0.675 | S | S | * | * | trans | -132.8 | 92.6 | 176.5 | -71.8 | 158.4 | -174.5 | 158 | 0 | 108.1 | D115 | D115-K117 WeakPolarHBondContact OD1-CE 3.4Å; D115-K117 IonicContact OD1-NZ 3Å; D115-K117 PolarHBondContact OD1-NZ 2.73Å; D115-K117 WeakPolarHBondContact OD2-CE 3.48Å; D115-K117 IonicContact OD2-NZ 3.32Å; D115-K117 PolarHBondContact OD2-NZ 2.94Å | ||
| 118 | H | 31.9 | Very low | 34.3 | Very low | 169 Ų | 169 | 130.4 Ų | 130.4 | 78% | 0.782 | 69% | 0.693 | S | S | * | * | 48.3 | 108.7 | 86.2 | -77.2 | -79.3 | 0 | 0 | 0 | 114.6 | |||||
| 119 | M | 35 | Very low | 34.3 | Very low | 172 Ų | 172 | 131.9 Ų | 131.9 | 85% | 0.847 | 71% | 0.714 | S | S | * | * | trans | -171.4 | 117.4 | 130.4 | -104.2 | -172 | 132.7 | 0 | 0 | 109.4 | ||||
| 120 | T | 34.5 | Very low | 34.5 | Very low | 99 Ų | 99 | 132.6 Ų | 132.6 | 61% | 0.607 | 73% | 0.728 | S | S | * | * | 53 | 126.3 | 102.6 | 67.3 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 121 | N | 33.2 | Very low | 34.7 | Very low | 122 Ų | 122 | 132.9 Ų | 132.9 | 65% | 0.652 | 73% | 0.733 | S | S | * | * | cis | -141.7 | 151.8 | 35 | -78.3 | -69.7 | 0 | 0 | 0 | 110.4 | ||||
| 122 | S | 32.1 | Very low | 34.5 | Very low | 91 Ų | 91 | 133.7 Ų | 133.7 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | 66.8 | 127.8 | 50.7 | 106.1 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 123 | Y | 35.5 | Very low | 34.8 | Very low | 195 Ų | 195 | 131.1 Ų | 131.1 | 77% | 0.765 | 75% | 0.745 | S | S | * | * | trans | 169.6 | 104.7 | 144 | -99.6 | -69.4 | 0 | 0 | 0 | 112.1 | ||||
| 124 | Y | 35.7 | Very low | 35.1 | Very low | 205 Ų | 205 | 132.1 Ų | 132.1 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | 64.4 | 155.7 | 145.6 | -84.4 | -128.4 | 0 | 0 | 0 | 120.4 | ||||
| 125 | S | 33.4 | Very low | 35.4 | Very low | 91 Ų | 91 | 128.1 Ų | 128.1 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | cis | -176.2 | 174.5 | -26.3 | -103.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 126 | S | 35.7 | Very low | 35.6 | Very low | 119 Ų | 119 | 128.1 Ų | 128.1 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | trans | 66.5 | 114.2 | 177 | -80.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 127 | A | 32.3 | Very low | 35.8 | Very low | 94 Ų | 94 | 129.8 Ų | 129.8 | 78% | 0.777 | 76% | 0.757 | S | S | * | * | cis | 79.7 | 109.7 | 45.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 128 | V | 36.8 | Very low | 35.8 | Very low | 153 Ų | 153 | 128.8 Ų | 128.8 | 93% | 0.927 | 76% | 0.759 | S | S | * | * | trans | -129.7 | 110.5 | 158.3 | -78.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 129 | A | 34.3 | Very low | 35.9 | Very low | 95 Ų | 95 | 131.3 Ų | 131.3 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | -111.5 | 128.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 130 | S | 37.7 | Very low | 36.3 | Very low | 108 Ų | 108 | 128.3 Ų | 128.3 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | trans | -165.8 | 129.6 | 175.6 | -85.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 131 | I | 37.9 | Very low | 36.5 | Very low | 156 Ų | 156 | 132 Ų | 132 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | trans | 33 | 110.3 | 155.5 | 34.1 | 173.5 | 0 | 0 | 0 | 117.7 | ||||
| 132 | S | 32.1 | Very low | 36.8 | Very low | 116 Ų | 116 | 132 Ų | 132 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | cis | 71.7 | 83.2 | 22.2 | -35.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 133 | S | 39.2 | Very low | 37 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | -163.7 | 129 | 154.5 | 55.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 134 | S | 39.5 | Very low | 37.4 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | 17.7 | 144.4 | 145.7 | 52 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 135 | S | 39.8 | Very low | 37.6 | Very low | 100 Ų | 100 | 129 Ų | 129 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | cis | -169.1 | 129.9 | 14.5 | 35.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 136 | S | 39.1 | Very low | 37.9 | Very low | 108 Ų | 108 | 131.9 Ų | 131.9 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | 88.6 | 109.7 | 91.9 | -53.8 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 137 | L | 39 | Very low | 38.3 | Very low | 150 Ų | 150 | 135.8 Ų | 135.8 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | 82 | 115.9 | 139.3 | -62.4 | 169.1 | 0 | 0 | 0 | 122.2 | ||||
| 138 | N | 37.7 | Very low | 38.7 | Very low | 145 Ų | 145 | 138.4 Ų | 138.4 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | trans | 105.6 | 128.6 | 131.1 | -65 | -7.5 | 0 | 0 | 0 | 122.4 | ||||
| 139 | Y | 33 | Very low | 39.1 | Very low | 223 Ų | 223 | 139.4 Ų | 139.4 | 88% | 0.875 | 80% | 0.798 | S | S | * | * | trans | -78.9 | 178.5 | 171.3 | -87.8 | -87.8 | 0 | 0 | 0 | 111.3 | ||||
| 140 | P | 43.8 | Very low | 39.7 | Very low | 108 Ų | 108 | 142.6 Ų | 142.6 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | cis | -148.6 | 174 | 32.7 | 43.4 | -21.7 | 0 | 0 | 0 | 121.1 | ||||
| 141 | E | 37.6 | Very low | 40 | Very low | 176 Ų | 176 | 146.6 Ų | 146.6 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | 25 | 131.4 | 146.4 | -61.5 | 178 | 141.1 | 0 | 0 | 122.3 | ||||
| 142 | S | 40.3 | Very low | 40.1 | Very low | 123 Ų | 123 | 144.5 Ų | 144.5 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | -176.4 | 155.4 | 99.1 | 32.9 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 143 | D | 37 | Very low | 40.8 | Very low | 159 Ų | 159 | 144.9 Ų | 144.9 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | trans | -77.6 | 159.7 | -177.6 | -64.5 | -76.1 | 0 | 0 | 0 | 114.6 | ||||
| 144 | L | 44.4 | Very low | 41 | Very low | 174 Ų | 174 | 149.6 Ų | 149.6 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | trans | -163.2 | 133.2 | 132.9 | -110.3 | 169.6 | 0 | 0 | 0 | 111.8 | ||||
| 145 | S | 40 | Very low | 41.7 | Very low | 96 Ų | 96 | 151.9 Ų | 151.9 | 67% | 0.671 | 82% | 0.815 | S | S | * | * | trans | -94.4 | 127.4 | 176.8 | 51.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 146 | N | 38.3 | Very low | 42.3 | Very low | 151 Ų | 151 | 151.9 Ų | 151.9 | 81% | 0.807 | 81% | 0.813 | S | S | * | * | trans | 173.8 | 129.9 | 134.8 | -88.1 | -25.5 | 0 | 0 | 0 | 109.7 | ||||
| 147 | K | 43.5 | Very low | 43 | Very low | 200 Ų | 200 | 156.2 Ų | 156.2 | 87% | 0.87 | 82% | 0.821 | S | S | * | * | trans | -127.6 | 93.7 | 167.5 | -77.5 | -173.8 | 177.6 | 177.8 | 0 | 108.5 | L149 | K147-L149 PolarHBondContact O-N 3.25Š| ||
| 148 | D | 42.7 | Very low | 43.9 | Very low | 150 Ų | 150 | 154.5 Ų | 154.5 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 128.1 | 165.9 | -71.5 | -67.9 | 0 | 0 | 0 | 109.4 | I150 | D148-I150 PolarHBondContact O-N 3.35Š|
| 149 | L | 44.6 | Very low | 44.7 | Very low | 173 Ų | 173 | 154.7 Ų | 154.7 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 126.2 | -169.3 | -135.9 | 74.1 | 0 | 0 | 0 | 110.7 | K147 K151 | K147-L149 PolarHBondContact O-N 3.25Å; L149-K151 PolarHBondContact O-N 3.48Å |
| 150 | I | 47.1 | Very low | 46.2 | Very low | 162 Ų | 162 | 146.4 Ų | 146.4 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 121.2 | -162.6 | -67.3 | 167.2 | 0 | 0 | 0 | 111.9 | D148 | D148-I150 PolarHBondContact O-N 3.35Š|
| 151 | K | 43.4 | Very low | 46.9 | Very low | 193 Ų | 193 | 149.3 Ų | 149.3 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 148.8 | 165.8 | -162.9 | 171.9 | -176.2 | 176.1 | 0 | 109.1 | L149 | L149-K151 PolarHBondContact O-N 3.48Š|
| 152 | S | 40.9 | Very low | 48.6 | Very low | 112 Ų | 112 | 145.2 Ų | 145.2 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | 73.4 | 97.1 | 177.5 | 72.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 153 | S | 45.1 | Very low | 49.7 | Very low | 124 Ų | 124 | 143.2 Ų | 143.2 | 87% | 0.867 | 76% | 0.76 | S | S | * | * | trans | -150.5 | 111.1 | 135.7 | 57.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 154 | F | 45.2 | Very low | 51.5 | Low | 205 Ų | 205 | 140.2 Ų | 140.2 | 90% | 0.899 | 74% | 0.741 | S | S | * | * | trans | -81.7 | -176.2 | -177.4 | -132.6 | -111.6 | 0 | 0 | 0 | 111.4 | ||||
| 155 | I | 54.2 | Low | 53 | Low | 158 Ų | 158 | 137 Ų | 137 | 81% | 0.81 | 72% | 0.72 | S | S | * | * | trans | 104.6 | 132.7 | 173.5 | -61.5 | 171.2 | 0 | 0 | 0 | 113.2 | ||||
| 156 | P | 50.7 | Low | 54.7 | Low | 99 Ų | 99 | 137.3 Ų | 137.3 | 64% | 0.643 | 71% | 0.714 | S | S | * | * | trans | -103.4 | 170.9 | -133.1 | -5 | 26.3 | 0 | 0 | 0 | 117.7 | D158 | P156-D158 PolarHBondContact O-N 3.45Š| ||
| 157 | H | 55.6 | Low | 56.6 | Low | 200 Ų | 200 | 137.4 Ų | 137.4 | 93% | 0.926 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | 5.5 | 177.8 | -121.8 | -88.6 | 0 | 0 | 0 | 116.5 | ||
| 158 | D | 56.3 | Low | 57.9 | Low | 113 Ų | 113 | 132.1 Ų | 132.1 | 60% | 0.604 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -31.9 | -160.6 | -148.8 | 4.4 | 0 | 0 | 0 | 113.3 | P156 G160 Y161 | P156-D158 PolarHBondContact O-N 3.45Å; D158-G160 PolarHBondContact O-N 3.41Å; D158-Y161 WeakPolarHBondContact O-CB 3.34Å; D158-Y161 PolarHBondContact O-N 3.5Å |
| 159 | L | 56 | Low | 59.7 | Low | 149 Ų | 149 | 130.1 Ų | 130.1 | 78% | 0.78 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -63.1 | -26.4 | -176.9 | -64.9 | 174.8 | 0 | 0 | 0 | 113.8 | S163 | L159-S163 PolarHBondContact O-N 3.04Å |
| 160 | G | 64 | Low | 60.3 | Low | 50 Ų | 50 | 125.4 Ų | 125.4 | 52% | 0.515 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -68 | -35.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D158 S163 E164 | D158-G160 PolarHBondContact O-N 3.41Å; G160-S163 PolarHBondContact O-N 2.64Å; G160-E164 PolarHBondContact O-N 3.22Å |
| 161 | Y | 59 | Low | 61.7 | Low | 168 Ų | 168 | 122.8 Ų | 122.8 | 66% | 0.659 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -71.1 | -46 | -174.7 | -173.3 | -107.7 | 0 | 0 | 0 | 112 | D158 S163 E164 K165 | D158-Y161 WeakPolarHBondContact O-CB 3.34Å; D158-Y161 PolarHBondContact O-N 3.5Å; Y161-S163 PolarHBondContact O-N 3.33Å; Y161-E164 PolarHBondContact O-N 3.18Å; Y161-K165 WeakPolarHBondContact O-CB 3.42Å; Y161-K165 PolarHBondContact O-N 2.81Å |
| 162 | E | 72 | Confident | 62.8 | Low | 90 Ų | 90 | 120 Ų | 120 | 42% | 0.421 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -60.6 | -42.5 | 172.5 | -92.2 | -66.1 | 125.8 | 0 | 0 | 112.2 | E164 K165 L166 | E162-E164 PolarHBondContact O-N 3.37Å; E162-K165 PolarHBondContact O-N 2.9Å; E162-K165 WeakPolarHBondContact OE1-CD 3.42Å; E162-K165 WeakPolarHBondContact OE1-CE 3.48Å; E162-K165 IonicContact OE1-NZ 2.73Å; E162-K165 PolarHBondContact OE1-NZ 2.83Å; E162-L166 WeakPolarHBondContact O-CB 2.77Å; E162-L166 PolarHBondContact O-N 3.18Å |
| 163 | S | 63.9 | Low | 64.1 | Low | 82 Ų | 82 | 120.5 Ų | 120.5 | 57% | 0.573 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.2 | -38.2 | -178.5 | -166.5 | 0 | 0 | 0 | 0 | 112.8 | L159 G160 Y161 R167 | L159-S163 PolarHBondContact O-N 3.04Å; G160-S163 PolarHBondContact O-N 2.64Å; Y161-S163 PolarHBondContact O-N 3.33Å; S163-R167 PolarHBondContact O-N 3.01Å |
| 164 | E | 74.4 | Confident | 64.7 | Low | 95 Ų | 95 | 119.6 Ų | 119.6 | 44% | 0.444 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -73.4 | -38.4 | 174.4 | 179.3 | 132.3 | -113.6 | 0 | 0 | 112 | G160 Y161 E162 L166 R167 L168 | G160-E164 PolarHBondContact O-N 3.22Å; Y161-E164 PolarHBondContact O-N 3.18Å; E162-E164 PolarHBondContact O-N 3.37Å; E164-L166 VanDerWaalsContact C-N 3.34Å; E164-L166 PolarHBondContact O-N 2.63Å; E164-R167 WeakPolarHBondContact O-CB 3.32Å; E164-R167 PolarHBondContact O-N 3.35Å; E164-R167 VanDerWaalsContact O-N 3.12Å; E164-R167 IonicContact OE1-CZ 2.64Å; E164-R167 IonicContact OE1-NE 3.86Å; E164-R167 IonicContact OE1-NH2 3.75Å; E164-R167 PolarHBondContact OE1-NH2 2.85Å; E164-L168 HydrophobicContact CG-CD1 3.84Å; E164-L168 HydrophobicContact CG-CG 4.34Å; E164-L168 WeakPolarHBondContact O-CB 3.48Å; E164-L168 WeakPolarHBondContact O-CG 3.44Å; E164-L168 PolarHBondContact O-N 3.07Å |
| 165 | K | 77.2 | Confident | 65.4 | Low | 106 Ų | 106 | 114.2 Ų | 114.2 | 46% | 0.461 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -58.2 | -43.3 | 173 | 175.2 | -178.6 | 165.8 | -164.1 | 0 | 111.9 | Y161 E162 L168 Q169 | Y161-K165 WeakPolarHBondContact O-CB 3.42Å; Y161-K165 PolarHBondContact O-N 2.81Å; E162-K165 PolarHBondContact O-N 2.9Å; E162-K165 WeakPolarHBondContact OE1-CD 3.42Å; E162-K165 WeakPolarHBondContact OE1-CE 3.48Å; E162-K165 IonicContact OE1-NZ 2.73Å; E162-K165 PolarHBondContact OE1-NZ 2.83Å; K165-L168 PolarHBondContact O-N 3.49Å; K165-Q169 VanDerWaalsContact O-CB 3.32Å; K165-Q169 WeakPolarHBondContact O-CB 3.4Å; K165-Q169 PolarHBondContact O-N 3.12Å |
| 166 | L | 74.1 | Confident | 65.9 | Low | 104 Ų | 104 | 115.7 Ų | 115.7 | 55% | 0.545 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60.4 | -44.3 | 171.5 | -92.8 | 157 | 0 | 0 | 0 | 112.3 | E162 E164 Q169 S170 | E162-L166 WeakPolarHBondContact O-CB 2.77Å; E162-L166 PolarHBondContact O-N 3.18Å; E164-L166 VanDerWaalsContact C-N 3.34Å; E164-L166 PolarHBondContact O-N 2.63Å; L166-Q169 PolarHBondContact O-N 3.44Å; L166-S170 WeakPolarHBondContact O-CB 3.11Å; L166-S170 PolarHBondContact O-N 3.04Å |
| 167 | R | 77.8 | Confident | 65.8 | Low | 153 Ų | 153 | 116.2 Ų | 116.2 | 58% | 0.577 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.3 | -47.5 | 176.5 | -171.8 | 176.2 | 76.8 | 124.9 | -4.9 | 111.9 | S163 E164 S170 Q171 | S163-R167 PolarHBondContact O-N 3.01Å; E164-R167 WeakPolarHBondContact O-CB 3.32Å; E164-R167 PolarHBondContact O-N 3.35Å; E164-R167 VanDerWaalsContact O-N 3.12Å; E164-R167 IonicContact OE1-CZ 2.64Å; E164-R167 IonicContact OE1-NE 3.86Å; E164-R167 IonicContact OE1-NH2 3.75Å; E164-R167 PolarHBondContact OE1-NH2 2.85Å; R167-S170 PolarHBondContact O-N 3.02Å; R167-Q171 PolarHBondContact O-N 3.2Å |
| 168 | L | 71.5 | Confident | 66.1 | Low | 89 Ų | 89 | 110.7 Ų | 110.7 | 47% | 0.466 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.2 | -38.3 | 178 | -73.3 | 165.2 | 0 | 0 | 0 | 111.9 | E164 K165 Q171 Q172 | E164-L168 HydrophobicContact CG-CD1 3.84Å; E164-L168 HydrophobicContact CG-CG 4.34Å; E164-L168 WeakPolarHBondContact O-CB 3.48Å; E164-L168 WeakPolarHBondContact O-CG 3.44Å; E164-L168 PolarHBondContact O-N 3.07Å; K165-L168 PolarHBondContact O-N 3.49Å; L168-Q171 PolarHBondContact O-N 3.39Å; L168-Q172 WeakPolarHBondContact O-CG 3.5Å; L168-Q172 PolarHBondContact O-N 3.45Å |
| 169 | Q | 80.6 | Confident | 65.8 | Low | 108 Ų | 108 | 112.8 Ų | 112.8 | 51% | 0.505 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.3 | -42 | 175.3 | -168.1 | 177.4 | 34.4 | 0 | 0 | 111.8 | K165 L166 Q171 Q172 Q173 | K165-Q169 VanDerWaalsContact O-CB 3.32Å; K165-Q169 WeakPolarHBondContact O-CB 3.4Å; K165-Q169 PolarHBondContact O-N 3.12Å; L166-Q169 PolarHBondContact O-N 3.44Å; Q169-Q171 VanDerWaalsContact C-N 3.34Å; Q169-Q171 PolarHBondContact O-N 2.89Å; Q169-Q172 PolarHBondContact O-N 3.49Å; Q169-Q173 WeakPolarHBondContact O-CG 3.44Å; Q169-Q173 PolarHBondContact O-N 3.36Å |
| 170 | S | 57.3 | Low | 66.1 | Low | 74 Ų | 74 | 110.1 Ų | 110.1 | 52% | 0.517 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 173.7 | -173.8 | 0 | 0 | 0 | 0 | 111.6 | L166 R167 Q173 Q174 | L166-S170 WeakPolarHBondContact O-CB 3.11Å; L166-S170 PolarHBondContact O-N 3.04Å; R167-S170 PolarHBondContact O-N 3.02Å; S170-Q173 PolarHBondContact O-N 3.33Å; S170-Q174 PolarHBondContact O-N 3.22Å |
| 171 | Q | 75.6 | Confident | 65.5 | Low | 106 Ų | 106 | 110.8 Ų | 110.8 | 50% | 0.495 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -70.8 | -32.6 | 177.5 | -162.5 | 164.2 | 23.8 | 0 | 0 | 113.1 | R167 L168 Q169 Q174 N175 | R167-Q171 PolarHBondContact O-N 3.2Å; L168-Q171 PolarHBondContact O-N 3.39Å; Q169-Q171 VanDerWaalsContact C-N 3.34Å; Q169-Q171 PolarHBondContact O-N 2.89Å; Q171-Q174 PolarHBondContact O-N 2.96Å; Q171-N175 WeakPolarHBondContact O-CB 3.43Å; Q171-N175 VanDerWaalsContact O-CG 3.25Å; Q171-N175 PolarHBondContact O-N 2.95Å |
| 172 | Q | 66.4 | Low | 65.4 | Low | 135 Ų | 135 | 107 Ų | 107 | 63% | 0.631 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.5 | -37 | 169.7 | -78.1 | -172.1 | 6.3 | 0 | 0 | 112.6 | L168 Q169 R176 | L168-Q172 WeakPolarHBondContact O-CG 3.5Å; L168-Q172 PolarHBondContact O-N 3.45Å; Q169-Q172 PolarHBondContact O-N 3.49Å; Q172-R176 WeakPolarHBondContact O-CB 2.91Å; Q172-R176 PolarHBondContact O-N 3.23Å |
| 173 | Q | 69.6 | Low | 64.5 | Low | 122 Ų | 122 | 105.6 Ų | 105.6 | 57% | 0.57 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.6 | -47.2 | 173.3 | -71.3 | -178.3 | 26 | 0 | 0 | 111.1 | Q169 S170 N175 R176 L177 | Q169-Q173 WeakPolarHBondContact O-CG 3.44Å; Q169-Q173 PolarHBondContact O-N 3.36Å; S170-Q173 PolarHBondContact O-N 3.33Å; Q173-N175 PolarHBondContact O-N 2.92Å; Q173-R176 PolarHBondContact O-N 3.35Å; Q173-L177 WeakPolarHBondContact O-CG 3.37Å; Q173-L177 PolarHBondContact O-N 2.67Å |
| 174 | Q | 57.3 | Low | 64 | Low | 105 Ų | 105 | 103.9 Ų | 103.9 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -56.1 | -52.9 | 176.6 | -160.8 | 71.2 | 16 | 0 | 0 | 111.3 | S170 Q171 R176 L177 D178 | S170-Q174 PolarHBondContact O-N 3.22Å; Q171-Q174 PolarHBondContact O-N 2.96Å; Q174-R176 VanDerWaalsContact C-N 3.29Å; Q174-R176 PolarHBondContact O-N 3.33Å; Q174-L177 WeakPolarHBondContact O-CB 3.37Å; Q174-L177 PolarHBondContact O-N 2.95Å; Q174-D178 PolarHBondContact O-N 3.07Å |
| 175 | N | 59.1 | Low | 62.9 | Low | 93 Ų | 93 | 101.8 Ų | 101.8 | 50% | 0.497 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.7 | -30.1 | 179.9 | -68.8 | -11.8 | 0 | 0 | 0 | 112.8 | Q171 Q173 Y179 | Q171-N175 WeakPolarHBondContact O-CB 3.43Å; Q171-N175 VanDerWaalsContact O-CG 3.25Å; Q171-N175 PolarHBondContact O-N 2.95Å; Q173-N175 PolarHBondContact O-N 2.92Å; N175-Y179 VanDerWaalsContact O-CB 3.29Å; N175-Y179 WeakPolarHBondContact O-CB 3.37Å; N175-Y179 PolarHBondContact O-N 3.49Å |
| 176 | R | 64.9 | Low | 61.6 | Low | 189 Ų | 189 | 105.6 Ų | 105.6 | 71% | 0.713 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -70 | -34.3 | 171.7 | -89.7 | -171.2 | 168.1 | -130 | -0.7 | 112.6 | Q172 Q173 Q174 N180 | Q172-R176 WeakPolarHBondContact O-CB 2.91Å; Q172-R176 PolarHBondContact O-N 3.23Å; Q173-R176 PolarHBondContact O-N 3.35Å; Q174-R176 VanDerWaalsContact C-N 3.29Å; Q174-R176 PolarHBondContact O-N 3.33Å; R176-N180 PolarHBondContact O-N 2.92Å; R176-N180 VanDerWaalsContact O-N 3.11Å; R176-N180 PolarHBondContact O-ND2 3.17Å |
| 177 | L | 50.2 | Low | 60.9 | Low | 110 Ų | 110 | 107.1 Ų | 107.1 | 58% | 0.576 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.4 | -47.3 | 173.2 | -67.5 | 171.9 | 0 | 0 | 0 | 110.3 | Q173 Q174 Y179 N180 V181 | Q173-L177 WeakPolarHBondContact O-CG 3.37Å; Q173-L177 PolarHBondContact O-N 2.67Å; Q174-L177 WeakPolarHBondContact O-CB 3.37Å; Q174-L177 PolarHBondContact O-N 2.95Å; L177-Y179 PolarHBondContact O-N 2.92Å; L177-N180 PolarHBondContact O-N 3.42Å; L177-V181 WeakPolarHBondContact O-CG2 3.43Å; L177-V181 PolarHBondContact O-N 3.09Å |
| 178 | D | 60.2 | Low | 59.4 | Low | 83 Ų | 83 | 100.7 Ų | 100.7 | 44% | 0.444 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.5 | -41.8 | 175.4 | -76.2 | -43 | 0 | 0 | 0 | 112.8 | Q174 N180 V181 C182 | Q174-D178 PolarHBondContact O-N 3.07Å; D178-N180 VanDerWaalsContact C-N 3.35Å; D178-N180 PolarHBondContact O-N 3.36Å; D178-V181 PolarHBondContact O-N 3.08Å; D178-C182 WeakPolarHBondContact O-CB 3.44Å; D178-C182 PolarHBondContact O-N 3.4Å |
| 179 | Y | 51.6 | Low | 58.3 | Low | 157 Ų | 157 | 99.3 Ų | 99.3 | 62% | 0.616 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.4 | -40.1 | 176.2 | -175.2 | -109.5 | 0 | 0 | 0 | 112.2 | N175 L177 C182 L183 | N175-Y179 VanDerWaalsContact O-CB 3.29Å; N175-Y179 WeakPolarHBondContact O-CB 3.37Å; N175-Y179 PolarHBondContact O-N 3.49Å; L177-Y179 PolarHBondContact O-N 2.92Å; Y179-C182 PolarHBondContact O-N 3.36Å; Y179-L183 HydrophobicContact CD1-CD1 3.75Å; Y179-L183 HydrophobicContact CE1-CD1 3.33Å; Y179-L183 HydrophobicContact CE1-CG 4.28Å; Y179-L183 WeakPolarHBondContact O-CB 3.42Å; Y179-L183 PolarHBondContact O-N 3.22Å |
| 180 | N | 61.5 | Low | 56.7 | Low | 93 Ų | 93 | 99.7 Ų | 99.7 | 50% | 0.497 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.2 | -40 | 174.5 | -80 | -73.4 | 0 | 0 | 0 | 112.3 | R176 L177 D178 C182 L183 D184 | R176-N180 PolarHBondContact O-N 2.92Å; R176-N180 VanDerWaalsContact O-N 3.11Å; R176-N180 PolarHBondContact O-ND2 3.17Å; L177-N180 PolarHBondContact O-N 3.42Å; D178-N180 VanDerWaalsContact C-N 3.35Å; D178-N180 PolarHBondContact O-N 3.36Å; N180-C182 VanDerWaalsContact C-N 3.26Å; N180-C182 PolarHBondContact O-N 3.04Å; N180-L183 PolarHBondContact O-N 3.29Å; N180-D184 PolarHBondContact O-N 3.04Å |
| 181 | V | 51.2 | Low | 56.3 | Low | 65 Ų | 65 | 100.4 Ų | 100.4 | 39% | 0.394 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61 | -36.3 | 172.9 | 170.2 | 0 | 0 | 0 | 0 | 111.4 | L177 D178 N185 | L177-V181 WeakPolarHBondContact O-CG2 3.43Å; L177-V181 PolarHBondContact O-N 3.09Å; D178-V181 PolarHBondContact O-N 3.08Å; V181-N185 PolarHBondContact O-N 3.49Å; V181-N185 PolarHBondContact O-ND2 3.37Å |
| 182 | C | 56.5 | Low | 54.8 | Low | 87 Ų | 87 | 102 Ų | 102 | 59% | 0.588 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -70.8 | -43.6 | 173.7 | -165.6 | 0 | 0 | 0 | 0 | 112.2 | D178 Y179 N180 N185 R186 | D178-C182 WeakPolarHBondContact O-CB 3.44Å; D178-C182 PolarHBondContact O-N 3.4Å; Y179-C182 PolarHBondContact O-N 3.36Å; N180-C182 VanDerWaalsContact C-N 3.26Å; N180-C182 PolarHBondContact O-N 3.04Å; C182-N185 CarbonylContact O-C 3.59Å; C182-N185 WeakPolarHBondContact O-CB 3.44Å; C182-N185 PolarHBondContact O-N 3.3Å; C182-R186 PolarHBondContact O-N 3Å |
| 183 | L | 53.8 | Low | 53.6 | Low | 62 Ų | 62 | 102.9 Ų | 102.9 | 33% | 0.325 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 177.4 | -92.8 | 169.7 | 0 | 0 | 0 | 113.1 | Y179 N180 N185 R186 K187 | Y179-L183 HydrophobicContact CD1-CD1 3.75Å; Y179-L183 HydrophobicContact CE1-CD1 3.33Å; Y179-L183 HydrophobicContact CE1-CG 4.28Å; Y179-L183 WeakPolarHBondContact O-CB 3.42Å; Y179-L183 PolarHBondContact O-N 3.22Å; N180-L183 PolarHBondContact O-N 3.29Å; L183-N185 VanDerWaalsContact C-N 3.29Å; L183-N185 PolarHBondContact O-N 3Å; L183-R186 CarbonylContact O-C 3.58Å; L183-R186 PolarHBondContact O-N 3.25Å; L183-K187 PolarHBondContact O-N 2.98Å |
| 184 | D | 52.4 | Low | 52.1 | Low | 45 Ų | 45 | 102 Ų | 102 | 24% | 0.241 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -67 | -34.8 | 176 | -140.8 | -22.3 | 0 | 0 | 0 | 110.5 | N180 R186 Q188 L263 R266 | N180-D184 PolarHBondContact O-N 3.04Å; D184-R186 VanDerWaalsContact C-N 3.32Å; D184-R186 PolarHBondContact O-N 2.95Å; D184-Q188 VanDerWaalsContact CG-NE2 3.26Å; D184-Q188 WeakPolarHBondContact O-CB 3.49Å; D184-Q188 WeakPolarHBondContact O-CG 3.48Å; D184-Q188 PolarHBondContact O-N 3.31Å; D184-Q188 PolarHBondContact OD1-NE2 3.2Å; D184-L263 WeakPolarHBondContact OD2-CD2 3.05Å; D184-R266 VanDerWaalsContact CG-NH2 3.32Å; D184-R266 IonicContact OD1-CZ 2.67Å; D184-R266 IonicContact OD1-NH1 2.78Å; D184-R266 PolarHBondContact OD1-NH1 3.04Å; D184-R266 IonicContact OD1-NH2 3.15Å; D184-R266 PolarHBondContact OD1-NH2 2.95Å; D184-R266 IonicContact OD2-NH2 3.76Å; D184-R266 PolarHBondContact OD2-NH2 3.2Å |
| 185 | N | 51.2 | Low | 50.9 | Low | 51 Ų | 51 | 103.1 Ų | 103.1 | 27% | 0.273 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.8 | -27 | 169 | -85.3 | -70.3 | 0 | 0 | 0 | 113.9 | V181 C182 L183 N189 R262 | V181-N185 PolarHBondContact O-N 3.49Å; V181-N185 PolarHBondContact O-ND2 3.37Å; C182-N185 CarbonylContact O-C 3.59Å; C182-N185 WeakPolarHBondContact O-CB 3.44Å; C182-N185 PolarHBondContact O-N 3.3Å; L183-N185 VanDerWaalsContact C-N 3.29Å; L183-N185 PolarHBondContact O-N 3Å; N185-N189 PolarHBondContact O-ND2 2.87Å; N185-R262 PolarHBondContact OD1-NH1 3.49Å; N185-R262 PolarHBondContact OD1-NH2 3.45Å |
| 186 | R | 51.4 | Low | 49.7 | Very low | 186 Ų | 186 | 101.8 Ų | 101.8 | 70% | 0.702 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -80.3 | -49.2 | 174 | -168.2 | 167.1 | 173.4 | 139.8 | -5.1 | 111.6 | C182 L183 D184 Q188 N189 L190 | C182-R186 PolarHBondContact O-N 3Å; L183-R186 CarbonylContact O-C 3.58Å; L183-R186 PolarHBondContact O-N 3.25Å; D184-R186 VanDerWaalsContact C-N 3.32Å; D184-R186 PolarHBondContact O-N 2.95Å; R186-Q188 PolarHBondContact O-N 3.01Å; R186-N189 PolarHBondContact O-N 3.48Å; R186-N189 VanDerWaalsContact O-N 3.07Å; R186-L190 HydrophobicContact CG-CD1 4.37Å; R186-L190 VanDerWaalsContact O-CD1 3.26Å; R186-L190 WeakPolarHBondContact O-CD1 3.4Å; R186-L190 PolarHBondContact O-N 3.08Å |
| 187 | K | 58.5 | Low | 48.3 | Very low | 137 Ų | 137 | 101.7 Ų | 101.7 | 60% | 0.596 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.7 | -46.3 | 176.1 | -77.6 | -169.6 | 174.2 | -175.4 | 0 | 112.2 | L183 N189 L190 E191 | L183-K187 PolarHBondContact O-N 2.98Å; K187-N189 PolarHBondContact O-N 2.67Å; K187-N189 VanDerWaalsContact O-N 3.14Å; K187-L190 CarbonylContact O-C 3.59Å; K187-L190 WeakPolarHBondContact O-CA 3.29Å; K187-L190 WeakPolarHBondContact O-CB 3.31Å; K187-L190 PolarHBondContact O-N 2.65Å; K187-E191 WeakPolarHBondContact O-CG 3.38Å; K187-E191 PolarHBondContact O-N 2.96Å |
| 188 | Q | 47 | Very low | 47.3 | Very low | 17 Ų | 17 | 105.7 Ų | 105.7 | 8% | 0.079 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -69 | -9.8 | 176.9 | -67.1 | 175.1 | 37 | 0 | 0 | 114.6 | D184 R186 E191 K192 | D184-Q188 VanDerWaalsContact CG-NE2 3.26Å; D184-Q188 WeakPolarHBondContact O-CB 3.49Å; D184-Q188 WeakPolarHBondContact O-CG 3.48Å; D184-Q188 PolarHBondContact O-N 3.31Å; D184-Q188 PolarHBondContact OD1-NE2 3.2Å; R186-Q188 PolarHBondContact O-N 3.01Å; Q188-E191 WeakPolarHBondContact CA-OE2 3.22Å; Q188-E191 WeakPolarHBondContact CG-OE2 3.3Å; Q188-K192 WeakPolarHBondContact O-CG 3.44Å |
| 189 | N | 48.9 | Very low | 46.4 | Very low | 60 Ų | 60 | 107.5 Ų | 107.5 | 32% | 0.321 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -87.8 | -30 | 166.5 | -81.5 | -42.3 | 0 | 0 | 0 | 111.8 | N185 R186 K187 Y193 | N185-N189 PolarHBondContact O-ND2 2.87Å; R186-N189 PolarHBondContact O-N 3.48Å; R186-N189 VanDerWaalsContact O-N 3.07Å; K187-N189 PolarHBondContact O-N 2.67Å; K187-N189 VanDerWaalsContact O-N 3.14Å; N189-Y193 WeakPolarHBondContact O-CD2 3.29Å; N189-Y193 WeakPolarHBondContact O-CE2 3.47Å |
| 190 | L | 47.2 | Very low | 45.6 | Very low | 116 Ų | 116 | 106.5 Ų | 106.5 | 61% | 0.607 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -70.7 | -42.1 | 168.3 | -82.6 | 79.7 | 0 | 0 | 0 | 111.8 | R186 K187 K192 Y193 S194 | R186-L190 HydrophobicContact CG-CD1 4.37Å; R186-L190 VanDerWaalsContact O-CD1 3.26Å; R186-L190 WeakPolarHBondContact O-CD1 3.4Å; R186-L190 PolarHBondContact O-N 3.08Å; K187-L190 CarbonylContact O-C 3.59Å; K187-L190 WeakPolarHBondContact O-CA 3.29Å; K187-L190 WeakPolarHBondContact O-CB 3.31Å; K187-L190 PolarHBondContact O-N 2.65Å; L190-K192 PolarHBondContact O-N 3.02Å; L190-Y193 WeakPolarHBondContact O-CA 3.47Å; L190-Y193 PolarHBondContact O-N 3.16Å; L190-S194 PolarHBondContact O-N 3.24Å |
| 191 | E | 47.8 | Very low | 44.5 | Very low | 90 Ų | 90 | 109.4 Ų | 109.4 | 42% | 0.421 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -57.8 | -34.6 | 174.3 | -69.7 | 163.1 | -173.9 | 0 | 0 | 111.6 | K187 Q188 Y193 S194 C195 R266 | K187-E191 WeakPolarHBondContact O-CG 3.38Å; K187-E191 PolarHBondContact O-N 2.96Å; Q188-E191 WeakPolarHBondContact CA-OE2 3.22Å; Q188-E191 WeakPolarHBondContact CG-OE2 3.3Å; E191-Y193 PolarHBondContact O-N 3.42Å; E191-S194 PolarHBondContact O-N 3.39Å; E191-C195 PolarHBondContact O-N 2.95Å; E191-R266 IonicContact OE1-NH1 2.65Å; E191-R266 IonicContact OE2-NH1 3.59Å; E191-R266 PolarHBondContact OE2-NH1 3.04Å |
| 192 | K | 44.6 | Very low | 43.8 | Very low | 140 Ų | 140 | 114.2 Ų | 114.2 | 61% | 0.609 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -67.7 | -12.7 | 172.7 | -90 | 176.6 | -179.9 | 165.4 | 0 | 115.5 | Q188 L190 | Q188-K192 WeakPolarHBondContact O-CG 3.44Å; L190-K192 PolarHBondContact O-N 3.02Å |
| 193 | Y | 40.2 | Very low | 43.2 | Very low | 153 Ų | 153 | 115.4 Ų | 115.4 | 60% | 0.6 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -103.4 | -2.4 | 169.3 | -61.7 | -57.1 | 0 | 0 | 0 | 112.7 | N189 L190 E191 N243 | N189-Y193 WeakPolarHBondContact O-CD2 3.29Å; N189-Y193 WeakPolarHBondContact O-CE2 3.47Å; L190-Y193 WeakPolarHBondContact O-CA 3.47Å; L190-Y193 PolarHBondContact O-N 3.16Å; E191-Y193 PolarHBondContact O-N 3.42Å; Y193-N243 HydrophobicContact CE1-CB 4.47Å; Y193-N243 VanDerWaalsContact CE1-ND2 3.28Å; Y193-N243 WeakPolarHBondContact CE1-ND2 3.35Å; Y193-N243 PolarHBondContact OH-ND2 3.04Å |
| 194 | S | 38.7 | Very low | 42.4 | Very low | 103 Ų | 103 | 116.9 Ų | 116.9 | 72% | 0.72 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -98.3 | -35.9 | -179.8 | -176.8 | 0 | 0 | 0 | 0 | 113.2 | L190 E191 G196 | L190-S194 PolarHBondContact O-N 3.24Å; E191-S194 PolarHBondContact O-N 3.39Å; S194-G196 PolarHBondContact O-N 3.3Å |
| 195 | C | 32.7 | Very low | 41.9 | Very low | 129 Ų | 129 | 123.5 Ų | 123.5 | 87% | 0.872 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -83.8 | 62.8 | 175.6 | -166.2 | 0 | 0 | 0 | 0 | 111.7 | E191 | E191-C195 PolarHBondContact O-N 2.95Š|
| 196 | G | 33.9 | Very low | 41.5 | Very low | 64 Ų | 64 | 128.4 Ų | 128.4 | 66% | 0.66 | 68% | 0.68 | S | S | * | * | trans | -117.1 | -15.1 | -167 | 0 | 0 | 0 | 0 | 0 | 117.4 | S194 | S194-G196 PolarHBondContact O-N 3.3Š| ||
| 197 | Q | 34.3 | Very low | 40.7 | Very low | 187 Ų | 187 | 124.4 Ų | 124.4 | 87% | 0.874 | 68% | 0.678 | S | S | * | * | trans | -151.8 | 102.6 | -178.5 | -104.7 | 161.4 | 1.5 | 0 | 0 | 112 | ||||
| 198 | M | 30.5 | Very low | 39.5 | Very low | 194 Ų | 194 | 125.8 Ų | 125.8 | 96% | 0.956 | 69% | 0.692 | S | S | * | * | trans | -125.8 | 71.9 | 156.8 | -79.7 | -168.7 | 73 | 0 | 0 | 108.5 | ||||
| 199 | V | 40.8 | Very low | 39.1 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 74% | 0.739 | 73% | 0.727 | S | S | * | * | trans | -129.3 | 108.5 | 164.8 | -176.6 | 0 | 0 | 0 | 0 | 106 | ||||
| 200 | V | 34.8 | Very low | 38.4 | Very low | 136 Ų | 136 | 136.4 Ų | 136.4 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | trans | -68.6 | 132.1 | 172.1 | -77.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 201 | N | 38.5 | Very low | 38.2 | Very low | 153 Ų | 153 | 136.7 Ų | 136.7 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -165.1 | 121.9 | 163.2 | -96.5 | -19.3 | 0 | 0 | 0 | 107.1 | ||||
| 202 | D | 36 | Very low | 37.5 | Very low | 167 Ų | 167 | 138.5 Ų | 138.5 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | trans | -84.5 | 128.6 | -171.5 | -53.7 | -88.1 | 0 | 0 | 0 | 113.1 | ||||
| 203 | S | 43.4 | Very low | 37.3 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -172.3 | 128.5 | 137.9 | -169.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 204 | P | 37 | Very low | 37.4 | Very low | 94 Ų | 94 | 136.4 Ų | 136.4 | 61% | 0.61 | 80% | 0.795 | S | S | * | * | trans | -88.6 | -171.5 | 165.4 | 35.2 | -31.2 | 0 | 0 | 0 | 112.2 | ||||
| 205 | F | 42.2 | Very low | 37.8 | Very low | 184 Ų | 184 | 138.8 Ų | 138.8 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | trans | 75.4 | 130.8 | 177.9 | -54.8 | -66.3 | 0 | 0 | 0 | 115.5 | ||||
| 206 | L | 43 | Very low | 38.3 | Very low | 154 Ų | 154 | 136.9 Ų | 136.9 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | cis | -149.6 | 154 | -4.1 | -99 | 165.5 | 0 | 0 | 0 | 110 | ||||
| 207 | P | 34.1 | Very low | 38.7 | Very low | 101 Ų | 101 | 139.3 Ų | 139.3 | 66% | 0.656 | 79% | 0.794 | S | S | * | * | trans | -110.5 | 158.3 | 175.8 | 39.6 | -31.3 | 0 | 0 | 0 | 114.7 | ||||
| 208 | L | 33.8 | Very low | 39.2 | Very low | 167 Ų | 167 | 135.6 Ų | 135.6 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | 69.5 | 148.4 | 172.3 | -57 | 168.2 | 0 | 0 | 0 | 113.6 | ||||
| 209 | T | 39.3 | Very low | 40 | Very low | 135 Ų | 135 | 131.7 Ų | 131.7 | 83% | 0.828 | 78% | 0.78 | S | S | * | * | -137 | 166.7 | 55.3 | 48.9 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 210 | L | 34.6 | Very low | 40.5 | Very low | 164 Ų | 164 | 131.2 Ų | 131.2 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | trans | -76.6 | 140.1 | 166.2 | -135.1 | 74.3 | 0 | 0 | 0 | 110.2 | ||||
| 211 | S | 41.4 | Very low | 40.8 | Very low | 122 Ų | 122 | 129.7 Ų | 129.7 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | trans | -160.5 | 140.4 | 158.1 | -94.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 212 | T | 34.6 | Very low | 41 | Very low | 129 Ų | 129 | 127.5 Ų | 127.5 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | -105.5 | 174.5 | -175.8 | 36.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 213 | S | 39.3 | Very low | 41.5 | Very low | 106 Ų | 106 | 125 Ų | 125 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | trans | 77.3 | 158.6 | 168.7 | 80.9 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 214 | I | 43 | Very low | 41.1 | Very low | 143 Ų | 143 | 125.7 Ų | 125.7 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | cis | -149.7 | 157.5 | 15.4 | -0.2 | 179 | 0 | 0 | 0 | 111.9 | ||||
| 215 | L | 46.1 | Very low | 41.3 | Very low | 153 Ų | 153 | 126.4 Ų | 126.4 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | trans | 65.8 | 152.6 | 152.7 | -99.7 | 65.8 | 0 | 0 | 0 | 119.6 | ||||
| 216 | S | 43.2 | Very low | 41.1 | Very low | 88 Ų | 88 | 124.3 Ų | 124.3 | 62% | 0.615 | 78% | 0.781 | S | S | * | * | cis | -161.5 | 158.5 | -8.2 | 10.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 217 | S | 44 | Very low | 40.9 | Very low | 116 Ų | 116 | 124.6 Ų | 124.6 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | 62.2 | 144.3 | 154.8 | 47.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 218 | S | 44.3 | Very low | 41.3 | Very low | 108 Ų | 108 | 124.7 Ų | 124.7 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | cis | -154.9 | 136.5 | -1.6 | 47.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 219 | S | 47.5 | Very low | 41.5 | Very low | 113 Ų | 113 | 125.7 Ų | 125.7 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | -3.8 | 166 | 145.7 | -49.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 220 | P | 50.6 | Low | 41.6 | Very low | 112 Ų | 112 | 127.4 Ų | 127.4 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | cis | -146.4 | -179.1 | -37.9 | 40.2 | -22.6 | 0 | 0 | 0 | 115.8 | ||||
| 221 | S | 42 | Very low | 41.7 | Very low | 103 Ų | 103 | 124.2 Ų | 124.2 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | trans | 117.5 | 141.9 | 135 | 81.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 222 | S | 42.6 | Very low | 41.6 | Very low | 108 Ų | 108 | 125.6 Ų | 125.6 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | 84 | 141.9 | 153.4 | -49.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 223 | S | 45.6 | Very low | 42 | Very low | 113 Ų | 113 | 127.3 Ų | 127.3 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | 77.1 | 70.9 | 157.7 | -55.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 224 | S | 35 | Very low | 41.9 | Very low | 126 Ų | 126 | 125.3 Ų | 125.3 | 88% | 0.881 | 76% | 0.764 | S | S | * | * | trans | 5.2 | 115.9 | 136 | -49 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 225 | S | 41 | Very low | 41.7 | Very low | 110 Ų | 110 | 125.9 Ų | 125.9 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | -159.4 | 144 | 139.3 | 44.9 | 0 | 0 | 0 | 0 | 110.7 | I227 | S225-I227 PolarHBondContact O-N 2.9Š| ||
| 226 | V | 38.1 | Very low | 41.2 | Very low | 139 Ų | 139 | 124.9 Ų | 124.9 | 84% | 0.842 | 77% | 0.765 | S | S | * | * | trans | -82.7 | 112.3 | -176.7 | -77.9 | 0 | 0 | 0 | 0 | 111.1 | T228 | V226-T228 PolarHBondContact O-N 3.07Š| ||
| 227 | I | 39 | Very low | 41.1 | Very low | 160 Ų | 160 | 129.5 Ų | 129.5 | 82% | 0.821 | 78% | 0.776 | S | S | * | * | trans | -88.6 | 90.7 | 171.6 | -57.2 | -178.3 | 0 | 0 | 0 | 108.5 | S225 M229 | S225-I227 PolarHBondContact O-N 2.9Å; I227-M229 PolarHBondContact O-N 2.9Å | ||
| 228 | T | 42.1 | Very low | 40.8 | Very low | 104 Ų | 104 | 129.3 Ų | 129.3 | 64% | 0.638 | 77% | 0.765 | S | S | * | * | trans | -58.9 | 127.5 | 172 | -58.9 | 0 | 0 | 0 | 0 | 110.3 | V226 Q230 | V226-T228 PolarHBondContact O-N 3.07Å; T228-Q230 HydrophobicContact CG2-CG 4.29Å; T228-Q230 PolarHBondContact O-N 3.04Å | ||
| 229 | M | 37.6 | Very low | 40.3 | Very low | 188 Ų | 188 | 128.6 Ų | 128.6 | 93% | 0.926 | 76% | 0.757 | S | S | * | * | trans | -71.5 | 94.3 | 172.7 | -74.1 | -166.8 | 167.7 | 0 | 0 | 110.7 | I227 | I227-M229 PolarHBondContact O-N 2.9Š| ||
| 230 | Q | 41.2 | Very low | 40.1 | Very low | 170 Ų | 170 | 130 Ų | 130 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | trans | -89.5 | 113.6 | 166.7 | -72.7 | -171.3 | -15.5 | 0 | 0 | 110 | T228 N232 | T228-Q230 HydrophobicContact CG2-CG 4.29Å; T228-Q230 PolarHBondContact O-N 3.04Å; Q230-N232 PolarHBondContact O-N 2.87Å | ||
| 231 | S | 37.8 | Very low | 39.3 | Very low | 97 Ų | 97 | 128.3 Ų | 128.3 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | trans | -80 | 107.1 | -176.7 | 40.1 | 0 | 0 | 0 | 0 | 110.9 | L233 | S231-L233 PolarHBondContact O-N 2.92Š| ||
| 232 | N | 39.6 | Very low | 38.9 | Very low | 151 Ų | 151 | 127.8 Ų | 127.8 | 81% | 0.807 | 74% | 0.739 | S | S | * | * | trans | -69.3 | 72.3 | 174.3 | -79.1 | -30.7 | 0 | 0 | 0 | 112 | Q230 A234 | Q230-N232 PolarHBondContact O-N 2.87Å; N232-A234 VanDerWaalsContact C-N 3.29Å; N232-A234 PolarHBondContact O-N 3.14Å | ||
| 233 | L | 41.7 | Very low | 38.4 | Very low | 165 Ų | 165 | 127.9 Ų | 127.9 | 86% | 0.864 | 73% | 0.731 | S | S | * | * | trans | -91.7 | 26.4 | 174.4 | -98.5 | 80.8 | 0 | 0 | 0 | 113.5 | S231 | S231-L233 PolarHBondContact O-N 2.92Š| ||
| 234 | A | 38.8 | Very low | 38.1 | Very low | 64 Ų | 64 | 127.6 Ų | 127.6 | 53% | 0.529 | 72% | 0.721 | S | S | . | * | S | Bend | trans | -103 | 156 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | N232 | N232-A234 VanDerWaalsContact C-N 3.29Å; N232-A234 PolarHBondContact O-N 3.14Å |
| 235 | N | 38 | Very low | 38.4 | Very low | 156 Ų | 156 | 129.5 Ų | 129.5 | 83% | 0.834 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 87.6 | -11.4 | 175.3 | -53.8 | -49.8 | 0 | 0 | 0 | 120 | H237 | N235-H237 PolarHBondContact O-N 2.99Š|
| 236 | N | 35.7 | Very low | 38.7 | Very low | 132 Ų | 132 | 131.5 Ų | 131.5 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | 7.5 | -169.5 | -84.5 | -53 | 0 | 0 | 0 | 118.1 | T239 | N236-T239 PolarHBondContact O-OG1 3.17Š|
| 237 | H | 40.8 | Very low | 39.5 | Very low | 185 Ų | 185 | 127.5 Ų | 127.5 | 86% | 0.856 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | 12.7 | -177.9 | -161.8 | -116.8 | 0 | 0 | 0 | 115.5 | N235 | N235-H237 PolarHBondContact O-N 2.99Š|
| 238 | L | 37.9 | Very low | 41.3 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 58% | 0.581 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -112.3 | 9.7 | -173.1 | -119.5 | 72.8 | 0 | 0 | 0 | 115.6 | R313 | L238-R313 PolarHBondContact O-NH2 2.95Š|
| 239 | T | 34.7 | Very low | 43.4 | Very low | 94 Ų | 94 | 131.3 Ų | 131.3 | 58% | 0.577 | 70% | 0.698 | S | S | * | * | trans | -109.7 | 24.1 | -158.9 | 45.2 | 0 | 0 | 0 | 0 | 116.3 | N236 C241 | N236-T239 PolarHBondContact O-OG1 3.17Å; T239-C241 PolarHBondContact O-N 2.89Å | ||
| 240 | V | 42 | Very low | 46.1 | Very low | 142 Ų | 142 | 125.3 Ų | 125.3 | 86% | 0.861 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 51.4 | 171.4 | -164.4 | 0 | 0 | 0 | 0 | 111.7 | ||
| 241 | C | 35.2 | Very low | 48.6 | Very low | 77 Ų | 77 | 125.2 Ų | 125.2 | 52% | 0.52 | 67% | 0.666 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -155.2 | 34.4 | 178.5 | 62.9 | 0 | 0 | 0 | 0 | 114.3 | T239 | T239-C241 PolarHBondContact O-N 2.89Š|
| 242 | N | 31.8 | Very low | 51.4 | Low | 92 Ų | 92 | 127.8 Ų | 127.8 | 49% | 0.492 | 66% | 0.661 | S | S | . | * | trans | -131.6 | 112.4 | 168.5 | -161.5 | -3 | 0 | 0 | 0 | 112.4 | ||||
| 243 | N | 33.6 | Very low | 54.2 | Low | 109 Ų | 109 | 122.6 Ų | 122.6 | 58% | 0.583 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -171.8 | 73 | 153.2 | -110.4 | -35.8 | 0 | 0 | 0 | 109.8 | Y193 | Y193-N243 HydrophobicContact CE1-CB 4.47Å; Y193-N243 VanDerWaalsContact CE1-ND2 3.28Å; Y193-N243 WeakPolarHBondContact CE1-ND2 3.35Å; Y193-N243 PolarHBondContact OH-ND2 3.04Å |
| 244 | N | 39.5 | Very low | 56.9 | Low | 108 Ų | 108 | 117.8 Ų | 117.8 | 58% | 0.578 | 61% | 0.61 | S | S | * | * | trans | 171 | 106.1 | 159.3 | -106.6 | -86.9 | 0 | 0 | 0 | 106.4 | N246 S247 | N244-N246 PolarHBondContact O-N 3.28Å; N244-S247 WeakPolarHBondContact O-CB 3.48Å; N244-S247 PolarHBondContact O-N 3.37Å; N244-S247 PolarHBondContact O-OG 3.33Å | ||
| 245 | M | 40.5 | Very low | 59.7 | Low | 166 Ų | 166 | 119.1 Ų | 119.1 | 82% | 0.818 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 21.4 | -179.3 | -67.4 | -59.9 | -164.3 | 0 | 0 | 114.9 | ||
| 246 | N | 48 | Very low | 62.6 | Low | 152 Ų | 152 | 112.4 Ų | 112.4 | 81% | 0.813 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | 13.3 | 168.5 | -63 | -57.1 | 0 | 0 | 0 | 111.8 | N244 | N244-N246 PolarHBondContact O-N 3.28Š|
| 247 | S | 54.1 | Low | 65.6 | Low | 54 Ų | 54 | 108.3 Ų | 108.3 | 38% | 0.378 | 55% | 0.55 | S | S | . | . | trans | -106 | 13.4 | -158.2 | 74.4 | 0 | 0 | 0 | 0 | 118.1 | N244 R249 | N244-S247 WeakPolarHBondContact O-CB 3.48Å; N244-S247 PolarHBondContact O-N 3.37Å; N244-S247 PolarHBondContact O-OG 3.33Å; S247-R249 PolarHBondContact O-N 2.97Å | ||
| 248 | E | 76.1 | Confident | 68.3 | Low | 190 Ų | 190 | 104 Ų | 104 | 89% | 0.888 | 53% | 0.531 | S | S | * | . | trans | -57.5 | -22.9 | -178.8 | -171.4 | 167.9 | -139.1 | 0 | 0 | 113.5 | I250 | E248-I250 PolarHBondContact O-N 3.1Š| ||
| 249 | R | 87.4 | Confident | 71.2 | Confident | 154 Ų | 154 | 99.7 Ų | 99.7 | 58% | 0.581 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -71.5 | 102.3 | 171.1 | -171.7 | -178 | 177.9 | 110.7 | 11.2 | 112.2 | S247 K251 C320 | S247-R249 PolarHBondContact O-N 2.97Å; R249-K251 PolarHBondContact O-N 3.46Å; R249-C320 PolarHBondContact NH2-O 3.46Å |
| 250 | I | 93.2 | Very high | 74.2 | Confident | 62 Ų | 62 | 95.9 Ų | 95.9 | 32% | 0.318 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -47.8 | 125 | 169.2 | -56.9 | 164.7 | 0 | 0 | 0 | 111.3 | E248 H310 Y314 Y317 | E248-I250 PolarHBondContact O-N 3.1Å; I250-H310 WeakPolarHBondContact CG2-CE1 3.08Å; I250-Y314 HydrophobicContact CD1-CD1 3.56Å; I250-Y314 HydrophobicContact CD1-CE1 4.1Å; I250-Y314 HydrophobicContact CD1-CG 4.01Å; I250-Y314 HydrophobicContact CG1-CD1 4.13Å; I250-Y314 HydrophobicContact CG1-CE1 4.19Å; I250-Y314 HydrophobicContact CG2-CD1 4.43Å; I250-Y314 HydrophobicContact CG2-CD2 4.02Å; I250-Y314 HydrophobicContact CG2-CE2 4.2Å; I250-Y314 HydrophobicContact CG2-CG 4.14Å; I250-Y317 HydrophobicContact CB-CD2 3.91Å; I250-Y317 HydrophobicContact CB-CE2 3.87Å; I250-Y317 HydrophobicContact CD1-CD2 4.31Å; I250-Y317 HydrophobicContact CG2-CD2 3.53Å; I250-Y317 HydrophobicContact CG2-CE2 3.58Å |
| 251 | K | 95 | Very high | 76.9 | Confident | 168 Ų | 168 | 89.1 Ų | 89.1 | 73% | 0.73 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -82.6 | 150.4 | 177.9 | -65.7 | 174.9 | -177.5 | 171.3 | 0 | 110.4 | R249 H310 | R249-K251 PolarHBondContact O-N 3.46Å; K251-H310 PolarHBondContact O-CE1 3.04Å; K251-H310 PolarHBondContact O-NE2 2.95Å |
| 252 | R | 96.9 | Very high | 79.8 | Confident | 151 Ų | 151 | 88.1 Ų | 88.1 | 57% | 0.57 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 152.4 | 176.4 | -53.4 | -175.8 | -152 | -146.8 | 6.6 | 111.1 | Y319 | R252-Y319 VanDerWaalsContact CZ-CZ 3.49Å; R252-Y319 VanDerWaalsContact NH1-CE2 3.35Å; R252-Y319 PolarHBondContact NH1-OH 3.45Å; R252-Y319 PolarHBondContact NH2-OH 3.47Å |
| 253 | P | 97.9 | Very high | 82.8 | Confident | 43 Ų | 43 | 86.6 Ų | 86.6 | 28% | 0.279 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 154.5 | 163.7 | 29 | -33.5 | 0 | 0 | 0 | 110.6 | R307 H310 | P253-R307 HydrophobicContact CG-CG 4.46Å; P253-H310 HydrophobicContact CB-CB 4.05Å; P253-H310 HydrophobicContact CG-CB 4.26Å |
| 254 | M | 97.6 | Very high | 85.9 | Confident | 64 Ų | 64 | 84.6 Ų | 84.6 | 32% | 0.315 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 138.2 | 176.3 | -63.7 | -174.7 | -64.1 | 0 | 0 | 110.1 | M258 V259 L306 | M254-M258 HydrophobicContact CB-CB 3.99Å; M254-M258 HydrophobicContact CG-CB 4.35Å; M254-V259 HydrophobicContact CB-CG2 3.86Å; M254-V259 HydrophobicContact CE-CG2 4.36Å; M254-L306 HydrophobicContact CB-CD1 4.31Å; M254-L306 HydrophobicContact CE-CD1 3.83Å |
| 255 | N | 98.5 | Very high | 88.6 | Confident | 92 Ų | 92 | 82.2 Ų | 82.2 | 49% | 0.492 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -86.4 | 171.5 | 168.2 | 72.6 | 1 | 0 | 0 | 0 | 110.7 | F257 M258 V259 | N255-F257 VanDerWaalsContact C-N 3.32Å; N255-F257 PolarHBondContact O-N 3.14Å; N255-M258 WeakPolarHBondContact O-CA 3.42Å; N255-M258 PolarHBondContact O-N 3.41Å; N255-M258 WeakPolarHBondContact OD1-CB 3.36Å; N255-M258 WeakPolarHBondContact OD1-CG 3.46Å; N255-M258 PolarHBondContact OD1-N 2.96Å; N255-V259 PolarHBondContact O-N 3.11Å |
| 256 | A | 98 | Very high | 91.3 | Very high | 14 Ų | 14 | 77.5 Ų | 77.5 | 12% | 0.116 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -52.4 | -45.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | M258 V259 W260 W288 F299 I300 A303 | A256-M258 VanDerWaalsContact C-N 3.35Å; A256-M258 PolarHBondContact O-N 3.01Å; A256-V259 PolarHBondContact O-N 3.49Å; A256-W260 WeakPolarHBondContact O-CB 3.23Å; A256-W260 PolarHBondContact O-N 3.41Å; A256-W288 HydrophobicContact CB-CH2 3.79Å; A256-W288 HydrophobicContact CB-CZ2 3.97Å; A256-F299 VanDerWaalsContact CA-O 3.27Å; A256-F299 WeakPolarHBondContact CA-O 3.45Å; A256-F299 HydrophobicContact CB-CB 4.29Å; A256-F299 VanDerWaalsContact CB-O 3.28Å; A256-F299 WeakPolarHBondContact CB-O 3.39Å; A256-I300 HydrophobicContact CB-CG1 3.83Å; A256-A303 HydrophobicContact CB-CB 4.16Å; A256-A303 VanDerWaalsContact N-CB 3.26Å |
| 257 | F | 98.6 | Very high | 93.6 | Very high | 46 Ų | 46 | 75.4 Ų | 75.4 | 20% | 0.202 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.3 | -37.7 | 175.1 | 175.1 | -99.1 | 0 | 0 | 0 | 113.1 | N255 W260 S261 W288 | N255-F257 VanDerWaalsContact C-N 3.32Å; N255-F257 PolarHBondContact O-N 3.14Å; F257-W260 AromaticContact CD2-CE3 3.99Å; F257-W260 HydrophobicContact CD2-CE3 3.99Å; F257-W260 HydrophobicContact CD2-CZ3 4.09Å; F257-W260 HydrophobicContact CE2-CE3 4.15Å; F257-W260 AromaticContact CE2-CZ3 3.84Å; F257-W260 HydrophobicContact CE2-CZ3 3.84Å; F257-S261 WeakPolarHBondContact O-CA 3.35Å; F257-S261 WeakPolarHBondContact O-CB 3.39Å; F257-S261 PolarHBondContact O-N 3.38Å; F257-S261 PolarHBondContact O-OG 3.22Å; F257-W288 HydrophobicContact CB-CD2 4.36Å; F257-W288 HydrophobicContact CD2-CB 3.76Å; F257-W288 AromaticContact CD2-CD1 3.97Å; F257-W288 AromaticContact CD2-CD2 3.94Å; F257-W288 HydrophobicContact CD2-CD2 3.94Å; F257-W288 HydrophobicContact CD2-CE3 4.47Å; F257-W288 AromaticContact CD2-CG 3.58Å; F257-W288 HydrophobicContact CD2-CG 3.58Å; F257-W288 HydrophobicContact CE2-CB 3.95Å; F257-W288 HydrophobicContact CE2-CG 4.26Å |
| 258 | M | 98.2 | Very high | 95.7 | Very high | 95 Ų | 95 | 73.8 Ų | 73.8 | 47% | 0.468 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -73.5 | -30.4 | 177.6 | -68.6 | -68.6 | 173.2 | 0 | 0 | 112.7 | M254 N255 A256 | M254-M258 HydrophobicContact CB-CB 3.99Å; M254-M258 HydrophobicContact CG-CB 4.35Å; N255-M258 WeakPolarHBondContact O-CA 3.42Å; N255-M258 PolarHBondContact O-N 3.41Å; N255-M258 WeakPolarHBondContact OD1-CB 3.36Å; N255-M258 WeakPolarHBondContact OD1-CG 3.46Å; N255-M258 PolarHBondContact OD1-N 2.96Å; A256-M258 VanDerWaalsContact C-N 3.35Å; A256-M258 PolarHBondContact O-N 3.01Å |
| 259 | V | 97.8 | Very high | 96.6 | Very high | 21 Ų | 21 | 66.6 Ų | 66.6 | 13% | 0.127 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.6 | -59.6 | 169.8 | 177.7 | 0 | 0 | 0 | 0 | 109.7 | M254 N255 A256 S261 R262 F299 E302 A303 L306 | M254-V259 HydrophobicContact CB-CG2 3.86Å; M254-V259 HydrophobicContact CE-CG2 4.36Å; N255-V259 PolarHBondContact O-N 3.11Å; A256-V259 PolarHBondContact O-N 3.49Å; V259-S261 PolarHBondContact O-N 2.91Å; V259-R262 VanDerWaalsContact O-CB 3.3Å; V259-R262 WeakPolarHBondContact O-CB 3.43Å; V259-R262 PolarHBondContact O-N 3.01Å; V259-F299 HydrophobicContact CG1-CD1 4.17Å; V259-E302 HydrophobicContact CG1-CB 4.34Å; V259-E302 HydrophobicContact CG1-CG 3.68Å; V259-E302 HydrophobicContact CG2-CG 4.23Å; V259-A303 HydrophobicContact CG2-CB 4.37Å; V259-L306 HydrophobicContact CG2-CD1 3.73Å |
| 260 | W | 98.4 | Very high | 97.1 | Very high | 13 Ų | 13 | 65.4 Ų | 65.4 | 5% | 0.049 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.9 | -49.7 | -178.4 | 171.3 | 84 | 0 | 0 | 0 | 112.9 | A256 F257 R262 L263 Q264 L284 L287 W288 L291 F299 | A256-W260 WeakPolarHBondContact O-CB 3.23Å; A256-W260 PolarHBondContact O-N 3.41Å; F257-W260 AromaticContact CD2-CE3 3.99Å; F257-W260 HydrophobicContact CD2-CE3 3.99Å; F257-W260 HydrophobicContact CD2-CZ3 4.09Å; F257-W260 HydrophobicContact CE2-CE3 4.15Å; F257-W260 AromaticContact CE2-CZ3 3.84Å; F257-W260 HydrophobicContact CE2-CZ3 3.84Å; W260-R262 PolarHBondContact O-N 3.18Å; W260-R262 VanDerWaalsContact O-N 3.1Å; W260-L263 PolarHBondContact O-N 3.38Å; W260-Q264 HydrophobicContact CD2-CG 4.11Å; W260-Q264 HydrophobicContact CH2-CG 4.45Å; W260-Q264 HydrophobicContact CZ2-CB 4.49Å; W260-Q264 HydrophobicContact CZ2-CG 3.83Å; W260-Q264 PolarHBondContact O-N 3.23Å; W260-L284 HydrophobicContact CH2-CB 4.29Å; W260-L284 HydrophobicContact CH2-CD2 3.75Å; W260-L284 WeakPolarHBondContact CH2-O 3.49Å; W260-L284 HydrophobicContact CZ3-CB 4Å; W260-L284 HydrophobicContact CZ3-CD2 3.95Å; W260-L284 WeakPolarHBondContact CZ3-O 3.43Å; W260-L287 HydrophobicContact CH2-CB 3.81Å; W260-L287 HydrophobicContact CZ2-CB 4.22Å; W260-W288 HydrophobicContact CB-CE3 4.14Å; W260-W288 HydrophobicContact CB-CZ3 3.72Å; W260-W288 AromaticContact CD2-CE3 3.57Å; W260-W288 HydrophobicContact CD2-CE3 3.57Å; W260-W288 HydrophobicContact CD2-CZ3 4.01Å; W260-W288 HydrophobicContact CE3-CB 4.29Å; W260-W288 HydrophobicContact CE3-CD2 4.35Å; W260-W288 AromaticContact CE3-CE3 3.62Å; W260-W288 HydrophobicContact CE3-CE3 3.62Å; W260-W288 HydrophobicContact CE3-CZ3 4.39Å; W260-W288 AromaticContact CG-CE3 3.8Å; W260-W288 HydrophobicContact CG-CE3 3.8Å; W260-W288 AromaticContact CG-CZ3 3.7Å; W260-W288 HydrophobicContact CG-CZ3 3.7Å; W260-W288 HydrophobicContact CH2-CB 4.12Å; W260-W288 HydrophobicContact CZ3-CB 3.8Å; W260-W288 HydrophobicContact CZ3-CE3 4.26Å; W260-L291 HydrophobicContact CZ2-CD1 3.86Å; W260-F299 HydrophobicContact CB-CB 4.22Å; W260-F299 HydrophobicContact CB-CD1 3.77Å; W260-F299 HydrophobicContact CB-CD2 4.27Å; W260-F299 HydrophobicContact CB-CE1 4.24Å; W260-F299 HydrophobicContact CB-CG 3.8Å; W260-F299 AromaticContact CD1-CD2 3.85Å; W260-F299 AromaticContact CD1-CE2 3.61Å; W260-F299 AromaticContact CD1-CZ 3.71Å; W260-F299 HydrophobicContact CG-CD1 4.48Å; W260-F299 HydrophobicContact CG-CD2 4.4Å; W260-F299 HydrophobicContact CG-CG 4.4Å |
| 261 | S | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68 | -12.4 | -176.9 | 71.1 | 0 | 0 | 0 | 0 | 113.2 | F257 V259 R265 | F257-S261 WeakPolarHBondContact O-CA 3.35Å; F257-S261 WeakPolarHBondContact O-CB 3.39Å; F257-S261 PolarHBondContact O-N 3.38Å; F257-S261 PolarHBondContact O-OG 3.22Å; V259-S261 PolarHBondContact O-N 2.91Å; S261-R265 WeakPolarHBondContact O-CB 3.42Å; S261-R265 PolarHBondContact O-N 3.29Å; S261-R265 PolarHBondContact O-NH1 2.83Å; S261-R265 PolarHBondContact OG-NH1 2.92Å; S261-R265 VanDerWaalsContact OG-NH1 3.13Å |
| 262 | R | 96.7 | Very high | 97.1 | Very high | 56 Ų | 56 | 63.6 Ų | 63.6 | 21% | 0.211 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66 | -49 | 175.2 | -176.2 | 173.2 | 166.8 | -162.2 | -15.5 | 111.1 | N185 V259 W260 R266 | N185-R262 PolarHBondContact OD1-NH1 3.49Å; N185-R262 PolarHBondContact OD1-NH2 3.45Å; V259-R262 VanDerWaalsContact O-CB 3.3Å; V259-R262 WeakPolarHBondContact O-CB 3.43Å; V259-R262 PolarHBondContact O-N 3.01Å; W260-R262 PolarHBondContact O-N 3.18Å; W260-R262 VanDerWaalsContact O-N 3.1Å; R262-R266 PolarHBondContact O-N 3.49Å |
| 263 | L | 95.3 | Very high | 97 | Very high | 61 Ų | 61 | 61.7 Ų | 61.7 | 32% | 0.319 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -69.1 | -47.6 | 177.8 | -66.7 | 169.5 | 0 | 0 | 0 | 111.4 | D184 W260 R265 R266 K267 | D184-L263 WeakPolarHBondContact OD2-CD2 3.05Å; W260-L263 PolarHBondContact O-N 3.38Å; L263-R265 VanDerWaalsContact C-N 3.35Å; L263-R265 PolarHBondContact O-N 2.87Å; L263-R266 WeakPolarHBondContact O-CB 3.34Å; L263-R266 PolarHBondContact O-N 2.92Å; L263-R266 VanDerWaalsContact O-N 3.14Å; L263-K267 PolarHBondContact O-N 3.3Å; L263-K267 VanDerWaalsContact O-N 3.11Å |
| 264 | Q | 97.4 | Very high | 96.9 | Very high | 66 Ų | 66 | 69.6 Ų | 69.6 | 31% | 0.308 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.5 | -34.1 | -177 | -57.5 | -60.4 | -25.1 | 0 | 0 | 112.5 | W260 R266 K267 M268 L284 | W260-Q264 HydrophobicContact CD2-CG 4.11Å; W260-Q264 HydrophobicContact CH2-CG 4.45Å; W260-Q264 HydrophobicContact CZ2-CB 4.49Å; W260-Q264 HydrophobicContact CZ2-CG 3.83Å; W260-Q264 PolarHBondContact O-N 3.23Å; Q264-R266 VanDerWaalsContact C-N 3.34Å; Q264-R266 PolarHBondContact O-N 3.04Å; Q264-K267 PolarHBondContact O-N 2.97Å; Q264-M268 WeakPolarHBondContact O-CB 2.94Å; Q264-M268 VanDerWaalsContact O-CG 3.29Å; Q264-M268 WeakPolarHBondContact O-CG 3.27Å; Q264-M268 PolarHBondContact O-N 3.46Å; Q264-L284 HydrophobicContact CB-CD2 3.39Å; Q264-L284 HydrophobicContact CG-CD2 4.44Å |
| 265 | R | 97.9 | Very high | 96.7 | Very high | 59 Ų | 59 | 69.1 Ų | 69.1 | 22% | 0.223 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.3 | -34 | 172.6 | 178.9 | -175.6 | -75.4 | 97 | -2.2 | 112.7 | S261 L263 A269 N277 I280 S281 L284 | S261-R265 WeakPolarHBondContact O-CB 3.42Å; S261-R265 PolarHBondContact O-N 3.29Å; S261-R265 PolarHBondContact O-NH1 2.83Å; S261-R265 PolarHBondContact OG-NH1 2.92Å; S261-R265 VanDerWaalsContact OG-NH1 3.13Å; L263-R265 VanDerWaalsContact C-N 3.35Å; L263-R265 PolarHBondContact O-N 2.87Å; R265-A269 VanDerWaalsContact O-CB 3.27Å; R265-A269 WeakPolarHBondContact O-CB 3.26Å; R265-A269 PolarHBondContact O-N 3Å; R265-N277 PolarHBondContact NE-OD1 2.84Å; R265-I280 HydrophobicContact CB-CG2 4.41Å; R265-I280 HydrophobicContact CG-CG2 4.17Å; R265-S281 PolarHBondContact NH2-OG 2.82Å; R265-L284 HydrophobicContact CB-CD1 3.85Å |
| 266 | R | 96.8 | Very high | 96.6 | Very high | 66 Ų | 66 | 71.3 Ų | 71.3 | 25% | 0.249 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.9 | -57.4 | 173.2 | 176.3 | 173.9 | 68.9 | -167.6 | -6.2 | 109.2 | D184 E191 R262 L263 Q264 M268 A269 E270 | D184-R266 VanDerWaalsContact CG-NH2 3.32Å; D184-R266 IonicContact OD1-CZ 2.67Å; D184-R266 IonicContact OD1-NH1 2.78Å; D184-R266 PolarHBondContact OD1-NH1 3.04Å; D184-R266 IonicContact OD1-NH2 3.15Å; D184-R266 PolarHBondContact OD1-NH2 2.95Å; D184-R266 IonicContact OD2-NH2 3.76Å; D184-R266 PolarHBondContact OD2-NH2 3.2Å; E191-R266 IonicContact OE1-NH1 2.65Å; E191-R266 IonicContact OE2-NH1 3.59Å; E191-R266 PolarHBondContact OE2-NH1 3.04Å; R262-R266 PolarHBondContact O-N 3.49Å; L263-R266 WeakPolarHBondContact O-CB 3.34Å; L263-R266 PolarHBondContact O-N 2.92Å; L263-R266 VanDerWaalsContact O-N 3.14Å; Q264-R266 VanDerWaalsContact C-N 3.34Å; Q264-R266 PolarHBondContact O-N 3.04Å; R266-M268 PolarHBondContact O-N 3.47Å; R266-A269 PolarHBondContact O-N 3.38Å; R266-E270 WeakPolarHBondContact CD-OE1 3.46Å; R266-E270 VanDerWaalsContact CG-CD 3.49Å; R266-E270 HydrophobicContact CG-CG 4.38Å; R266-E270 WeakPolarHBondContact CG-OE1 3.43Å; R266-E270 WeakPolarHBondContact O-CG 3.41Å; R266-E270 PolarHBondContact O-N 3.2Å |
| 267 | K | 97 | Very high | 96.5 | Very high | 108 Ų | 108 | 74.1 Ų | 74.1 | 47% | 0.47 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -50.5 | -52 | 178 | 178.6 | 174.8 | 173.4 | 176.4 | 0 | 113.1 | L263 Q264 A269 E270 E271 | L263-K267 PolarHBondContact O-N 3.3Å; L263-K267 VanDerWaalsContact O-N 3.11Å; Q264-K267 PolarHBondContact O-N 2.97Å; K267-A269 VanDerWaalsContact C-N 3.27Å; K267-A269 PolarHBondContact O-N 2.79Å; K267-E270 WeakPolarHBondContact CA-OE2 3.36Å; K267-E270 PolarHBondContact O-N 3.11Å; K267-E271 WeakPolarHBondContact CE-OE1 3.43Å; K267-E271 HydrophobicContact CG-CG 4.48Å; K267-E271 IonicContact NZ-OE1 2.92Å; K267-E271 WeakPolarHBondContact O-CG 3.21Å; K267-E271 PolarHBondContact O-N 2.8Å |
| 268 | M | 96.4 | Very high | 96.5 | Very high | 20 Ų | 20 | 75 Ų | 75 | 10% | 0.099 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.7 | -26.1 | -178.9 | -66.8 | -178 | 79.9 | 0 | 0 | 113.7 | Q264 R266 N272 I280 Q283 L284 L287 | Q264-M268 WeakPolarHBondContact O-CB 2.94Å; Q264-M268 VanDerWaalsContact O-CG 3.29Å; Q264-M268 WeakPolarHBondContact O-CG 3.27Å; Q264-M268 PolarHBondContact O-N 3.46Å; R266-M268 PolarHBondContact O-N 3.47Å; M268-N272 WeakPolarHBondContact O-CB 3.4Å; M268-N272 PolarHBondContact O-N 3.34Å; M268-I280 HydrophobicContact CB-CG2 4.07Å; M268-I280 HydrophobicContact SD-CG2 4.21Å; M268-Q283 HydrophobicContact CE-CB 3.85Å; M268-L284 HydrophobicContact SD-CD2 3.54Å; M268-L284 VanDerWaalsContact SD-CD2 3.54Å; M268-L284 HydrophobicContact SD-CG 3.83Å; M268-L287 HydrophobicContact SD-CD1 4.48Å |
| 269 | A | 96.5 | Very high | 96.4 | Very high | 39 Ų | 39 | 73.2 Ų | 73.2 | 32% | 0.322 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -80.9 | -30 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R265 R266 K267 N272 P273 I280 | R265-A269 VanDerWaalsContact O-CB 3.27Å; R265-A269 WeakPolarHBondContact O-CB 3.26Å; R265-A269 PolarHBondContact O-N 3Å; R266-A269 PolarHBondContact O-N 3.38Å; K267-A269 VanDerWaalsContact C-N 3.27Å; K267-A269 PolarHBondContact O-N 2.79Å; A269-N272 CarbonylContact O-C 3.54Å; A269-P273 WeakPolarHBondContact O-CA 3.44Å; A269-P273 VanDerWaalsContact O-N 3.16Å; A269-I280 HydrophobicContact CB-CD1 4.13Å |
| 270 | E | 96.2 | Very high | 96.4 | Very high | 130 Ų | 130 | 72.3 Ų | 72.3 | 61% | 0.607 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -69.2 | -43.9 | 171.3 | -68.7 | 159.8 | 166.8 | 0 | 0 | 110.8 | R266 K267 | R266-E270 WeakPolarHBondContact CD-OE1 3.46Å; R266-E270 VanDerWaalsContact CG-CD 3.49Å; R266-E270 HydrophobicContact CG-CG 4.38Å; R266-E270 WeakPolarHBondContact CG-OE1 3.43Å; R266-E270 WeakPolarHBondContact O-CG 3.41Å; R266-E270 PolarHBondContact O-N 3.2Å; K267-E270 WeakPolarHBondContact CA-OE2 3.36Å; K267-E270 PolarHBondContact O-N 3.11Å |
| 271 | E | 96.2 | Very high | 96.4 | Very high | 111 Ų | 111 | 73.5 Ų | 73.5 | 52% | 0.519 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.4 | -35.5 | 175 | -68.9 | 169.1 | 164.2 | 0 | 0 | 112.7 | K267 | K267-E271 WeakPolarHBondContact CE-OE1 3.43Å; K267-E271 HydrophobicContact CG-CG 4.48Å; K267-E271 IonicContact NZ-OE1 2.92Å; K267-E271 WeakPolarHBondContact O-CG 3.21Å; K267-E271 PolarHBondContact O-N 2.8Å |
| 272 | N | 93.5 | Very high | 96.4 | Very high | 80 Ų | 80 | 79 Ų | 79 | 43% | 0.428 | 39% | 0.39 | S | S | . | . | trans | -134.2 | 69.9 | -174.2 | -63.7 | -95.6 | 0 | 0 | 0 | 112.1 | M268 A269 K274 L275 | M268-N272 WeakPolarHBondContact O-CB 3.4Å; M268-N272 PolarHBondContact O-N 3.34Å; A269-N272 CarbonylContact O-C 3.54Å; N272-K274 PolarHBondContact O-N 3.04Å; N272-L275 HydrophobicContact CB-CB 3.76Å; N272-L275 HydrophobicContact CB-CD2 4.15Å; N272-L275 VanDerWaalsContact O-CB 3.26Å; N272-L275 WeakPolarHBondContact O-CB 3.15Å; N272-L275 PolarHBondContact O-N 2.88Å | ||
| 273 | P | 94.6 | Very high | 96.5 | Very high | 112 Ų | 112 | 79.9 Ų | 79.9 | 73% | 0.727 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -15.3 | -173.6 | 24.5 | -35.1 | 0 | 0 | 0 | 114.7 | A269 | A269-P273 WeakPolarHBondContact O-CA 3.44Å; A269-P273 VanDerWaalsContact O-N 3.16Å |
| 274 | K | 95.3 | Very high | 96.6 | Very high | 209 Ų | 209 | 77 Ų | 77 | 91% | 0.909 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -8.7 | 173.4 | -61.7 | -178.8 | -177.6 | 176.2 | 0 | 113.4 | N272 | N272-K274 PolarHBondContact O-N 3.04Š|
| 275 | L | 94 | Very high | 96.6 | Very high | 54 Ų | 54 | 74.8 Ų | 74.8 | 28% | 0.283 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -84.5 | 121.2 | -172.8 | -170.2 | 62.9 | 0 | 0 | 0 | 111.4 | N272 E279 I280 | N272-L275 HydrophobicContact CB-CB 3.76Å; N272-L275 HydrophobicContact CB-CD2 4.15Å; N272-L275 VanDerWaalsContact O-CB 3.26Å; N272-L275 WeakPolarHBondContact O-CB 3.15Å; N272-L275 PolarHBondContact O-N 2.88Å; L275-E279 HydrophobicContact CD1-CB 3.9Å; L275-E279 HydrophobicContact CD1-CG 3.78Å; L275-E279 HydrophobicContact CG-CB 4.24Å; L275-E279 HydrophobicContact CG-CG 4.46Å; L275-I280 HydrophobicContact CB-CD1 4.47Å; L275-I280 HydrophobicContact CB-CG1 4.34Å; L275-I280 HydrophobicContact CD2-CG1 3.71Å; L275-I280 HydrophobicContact CG-CG1 3.89Å |
| 276 | H | 96 | Very high | 96.6 | Very high | 138 Ų | 138 | 76.9 Ų | 76.9 | 64% | 0.639 | 39% | 0.392 | S | S | * | . | trans | -68.3 | 142.8 | -176.7 | -174.2 | 56.5 | 0 | 0 | 0 | 112.2 | S278 E279 I280 | H276-S278 PolarHBondContact CD2-OG 2.72Å; H276-S278 PolarHBondContact O-N 3.42Å; H276-E279 WeakPolarHBondContact O-CB 3.36Å; H276-E279 PolarHBondContact O-N 3.21Å; H276-I280 PolarHBondContact O-N 2.94Å | ||
| 277 | N | 96.4 | Very high | 96.7 | Very high | 73 Ų | 73 | 77.6 Ų | 77.6 | 39% | 0.39 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.8 | -22.1 | -168.3 | -155.5 | -94.4 | 0 | 0 | 0 | 114.7 | R265 E279 S281 | R265-N277 PolarHBondContact NE-OD1 2.84Å; N277-E279 VanDerWaalsContact C-N 3.34Å; N277-S281 VanDerWaalsContact O-CB 3.27Å; N277-S281 WeakPolarHBondContact O-CB 3.29Å; N277-S281 PolarHBondContact O-N 3.13Å; N277-S281 PolarHBondContact O-OG 3.37Å |
| 278 | S | 97.2 | Very high | 96.8 | Very high | 63 Ų | 63 | 74.8 Ų | 74.8 | 44% | 0.441 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.5 | -34.9 | 172.3 | 68.9 | 0 | 0 | 0 | 0 | 112.1 | H276 S281 K282 | H276-S278 PolarHBondContact CD2-OG 2.72Å; H276-S278 PolarHBondContact O-N 3.42Å; S278-S281 PolarHBondContact O-N 2.88Å; S278-K282 WeakPolarHBondContact O-CG 3.27Å; S278-K282 PolarHBondContact O-N 2.88Å |
| 279 | E | 97.6 | Very high | 96.8 | Very high | 59 Ų | 59 | 81.3 Ų | 81.3 | 28% | 0.276 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -73.6 | -46 | 177.6 | -164 | 56.2 | -128.8 | 0 | 0 | 111 | L275 H276 N277 S281 K282 Q283 | L275-E279 HydrophobicContact CD1-CB 3.9Å; L275-E279 HydrophobicContact CD1-CG 3.78Å; L275-E279 HydrophobicContact CG-CB 4.24Å; L275-E279 HydrophobicContact CG-CG 4.46Å; H276-E279 WeakPolarHBondContact O-CB 3.36Å; H276-E279 PolarHBondContact O-N 3.21Å; N277-E279 VanDerWaalsContact C-N 3.34Å; E279-S281 PolarHBondContact O-N 3.32Å; E279-K282 WeakPolarHBondContact O-CB 3.27Å; E279-K282 PolarHBondContact O-N 3.07Å; E279-K282 IonicContact OE1-NZ 3.49Å; E279-K282 WeakPolarHBondContact OE2-CE 3.17Å; E279-K282 IonicContact OE2-NZ 3.53Å; E279-K282 PolarHBondContact OE2-NZ 3.17Å; E279-Q283 WeakPolarHBondContact O-CG 3.45Å; E279-Q283 PolarHBondContact O-N 3.34Å |
| 280 | I | 97.9 | Very high | 96.9 | Very high | 2 Ų | 2 | 83.9 Ų | 83.9 | 1% | 0.01 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -51.4 | -45.1 | 169 | -62.3 | 173.5 | 0 | 0 | 0 | 109.9 | R265 M268 A269 L275 H276 K282 Q283 L284 | R265-I280 HydrophobicContact CB-CG2 4.41Å; R265-I280 HydrophobicContact CG-CG2 4.17Å; M268-I280 HydrophobicContact CB-CG2 4.07Å; M268-I280 HydrophobicContact SD-CG2 4.21Å; A269-I280 HydrophobicContact CB-CD1 4.13Å; L275-I280 HydrophobicContact CB-CD1 4.47Å; L275-I280 HydrophobicContact CB-CG1 4.34Å; L275-I280 HydrophobicContact CD2-CG1 3.71Å; L275-I280 HydrophobicContact CG-CG1 3.89Å; H276-I280 PolarHBondContact O-N 2.94Å; I280-K282 PolarHBondContact O-N 3.46Å; I280-Q283 PolarHBondContact O-N 3.21Å; I280-L284 HydrophobicContact CG2-CD1 3.68Å; I280-L284 HydrophobicContact CG2-CG 4.18Å; I280-L284 WeakPolarHBondContact O-CB 3.04Å; I280-L284 VanDerWaalsContact O-CG 3.23Å; I280-L284 WeakPolarHBondContact O-CG 3.4Å; I280-L284 PolarHBondContact O-N 2.78Å |
| 281 | S | 97.9 | Very high | 97 | Very high | 38 Ų | 38 | 79.8 Ų | 79.8 | 27% | 0.266 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -69.3 | -26.6 | -179.8 | -61.8 | 0 | 0 | 0 | 0 | 114.2 | R265 N277 S278 E279 G285 | R265-S281 PolarHBondContact NH2-OG 2.82Å; N277-S281 VanDerWaalsContact O-CB 3.27Å; N277-S281 WeakPolarHBondContact O-CB 3.29Å; N277-S281 PolarHBondContact O-N 3.13Å; N277-S281 PolarHBondContact O-OG 3.37Å; S278-S281 PolarHBondContact O-N 2.88Å; E279-S281 PolarHBondContact O-N 3.32Å; S281-G285 PolarHBondContact O-N 2.9Å; S281-G285 VanDerWaalsContact O-N 3.16Å |
| 282 | K | 97.9 | Very high | 97.1 | Very high | 116 Ų | 116 | 77.9 Ų | 77.9 | 50% | 0.504 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -68.2 | -49.7 | 168.9 | -67.1 | 176.4 | -159.8 | 165.1 | 0 | 110.8 | S278 E279 I280 L284 G285 N286 | S278-K282 WeakPolarHBondContact O-CG 3.27Å; S278-K282 PolarHBondContact O-N 2.88Å; E279-K282 WeakPolarHBondContact O-CB 3.27Å; E279-K282 PolarHBondContact O-N 3.07Å; E279-K282 IonicContact OE1-NZ 3.49Å; E279-K282 WeakPolarHBondContact OE2-CE 3.17Å; E279-K282 IonicContact OE2-NZ 3.53Å; E279-K282 PolarHBondContact OE2-NZ 3.17Å; I280-K282 PolarHBondContact O-N 3.46Å; K282-L284 PolarHBondContact O-N 2.69Å; K282-G285 CarbonylContact O-C 3.58Å; K282-G285 WeakPolarHBondContact O-CA 3.28Å; K282-G285 PolarHBondContact O-N 3.29Å; K282-N286 PolarHBondContact O-N 2.86Å; K282-N286 VanDerWaalsContact O-N 3.07Å |
| 283 | Q | 97.7 | Very high | 97.2 | Very high | 73 Ų | 73 | 80.4 Ų | 80.4 | 34% | 0.341 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.1 | -44.4 | -176.6 | -65.2 | 178 | 12.8 | 0 | 0 | 111 | M268 E279 I280 G285 N286 L287 | M268-Q283 HydrophobicContact CE-CB 3.85Å; E279-Q283 WeakPolarHBondContact O-CG 3.45Å; E279-Q283 PolarHBondContact O-N 3.34Å; I280-Q283 PolarHBondContact O-N 3.21Å; Q283-G285 VanDerWaalsContact C-N 3.29Å; Q283-G285 PolarHBondContact O-N 2.84Å; Q283-N286 PolarHBondContact O-N 3.42Å; Q283-N286 VanDerWaalsContact O-N 3.09Å; Q283-L287 WeakPolarHBondContact O-CG 3.42Å; Q283-L287 PolarHBondContact O-N 2.84Å |
| 284 | L | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 79.9 Ų | 79.9 | 0% | 0 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -59.2 | -37.1 | 170.5 | -68.8 | 174.5 | 0 | 0 | 0 | 113 | W260 Q264 R265 M268 I280 K282 N286 W288 | W260-L284 HydrophobicContact CH2-CB 4.29Å; W260-L284 HydrophobicContact CH2-CD2 3.75Å; W260-L284 WeakPolarHBondContact CH2-O 3.49Å; W260-L284 HydrophobicContact CZ3-CB 4Å; W260-L284 HydrophobicContact CZ3-CD2 3.95Å; W260-L284 WeakPolarHBondContact CZ3-O 3.43Å; Q264-L284 HydrophobicContact CB-CD2 3.39Å; Q264-L284 HydrophobicContact CG-CD2 4.44Å; R265-L284 HydrophobicContact CB-CD1 3.85Å; M268-L284 HydrophobicContact SD-CD2 3.54Å; M268-L284 VanDerWaalsContact SD-CD2 3.54Å; M268-L284 HydrophobicContact SD-CG 3.83Å; I280-L284 HydrophobicContact CG2-CD1 3.68Å; I280-L284 HydrophobicContact CG2-CG 4.18Å; I280-L284 WeakPolarHBondContact O-CB 3.04Å; I280-L284 VanDerWaalsContact O-CG 3.23Å; I280-L284 WeakPolarHBondContact O-CG 3.4Å; I280-L284 PolarHBondContact O-N 2.78Å; K282-L284 PolarHBondContact O-N 2.69Å; L284-N286 VanDerWaalsContact C-N 3.27Å; L284-N286 PolarHBondContact O-N 2.76Å; L284-W288 WeakPolarHBondContact O-CB 3.2Å; L284-W288 PolarHBondContact O-N 3.37Å |
| 285 | G | 98.3 | Very high | 97.5 | Very high | 21 Ų | 21 | 73.4 Ų | 73.4 | 22% | 0.216 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -68.2 | -22.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | S281 K282 Q283 K289 | S281-G285 PolarHBondContact O-N 2.9Å; S281-G285 VanDerWaalsContact O-N 3.16Å; K282-G285 CarbonylContact O-C 3.58Å; K282-G285 WeakPolarHBondContact O-CA 3.28Å; K282-G285 PolarHBondContact O-N 3.29Å; Q283-G285 VanDerWaalsContact C-N 3.29Å; Q283-G285 PolarHBondContact O-N 2.84Å; G285-K289 WeakPolarHBondContact O-CD 3.2Å; G285-K289 WeakPolarHBondContact O-CE 3.3Å; G285-K289 WeakPolarHBondContact O-CG 3.45Å |
| 286 | N | 98.1 | Very high | 97.7 | Very high | 102 Ų | 102 | 72.1 Ų | 72.1 | 55% | 0.545 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -85.4 | -48.5 | 171.8 | -68.9 | -17.3 | 0 | 0 | 0 | 110.8 | K282 Q283 L284 W288 K289 S290 | K282-N286 PolarHBondContact O-N 2.86Å; K282-N286 VanDerWaalsContact O-N 3.07Å; Q283-N286 PolarHBondContact O-N 3.42Å; Q283-N286 VanDerWaalsContact O-N 3.09Å; L284-N286 VanDerWaalsContact C-N 3.27Å; L284-N286 PolarHBondContact O-N 2.76Å; N286-W288 VanDerWaalsContact C-N 3.31Å; N286-W288 PolarHBondContact O-N 2.88Å; N286-K289 WeakPolarHBondContact O-CB 3.46Å; N286-K289 PolarHBondContact O-N 3.27Å; N286-S290 PolarHBondContact O-N 3.21Å |
| 287 | L | 97.9 | Very high | 97.8 | Very high | 81 Ų | 81 | 69.3 Ų | 69.3 | 42% | 0.424 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -55.6 | -42.7 | 176.9 | -73.4 | 167.8 | 0 | 0 | 0 | 112.4 | W260 M268 Q283 K289 S290 L291 | W260-L287 HydrophobicContact CH2-CB 3.81Å; W260-L287 HydrophobicContact CZ2-CB 4.22Å; M268-L287 HydrophobicContact SD-CD1 4.48Å; Q283-L287 WeakPolarHBondContact O-CG 3.42Å; Q283-L287 PolarHBondContact O-N 2.84Å; L287-K289 PolarHBondContact O-N 3.47Å; L287-S290 WeakPolarHBondContact CA-OG 3.16Å; L287-S290 PolarHBondContact O-N 3.45Å; L287-S290 PolarHBondContact O-OG 2.96Å; L287-L291 WeakPolarHBondContact O-CG 3.43Å; L287-L291 PolarHBondContact O-N 3.47Å |
| 288 | W | 98.4 | Very high | 97.9 | Very high | 50 Ų | 50 | 68.9 Ų | 68.9 | 19% | 0.189 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.1 | -28.3 | 175.8 | -179.8 | -102.4 | 0 | 0 | 0 | 113.6 | A256 F257 W260 L284 N286 L291 K296 F299 | A256-W288 HydrophobicContact CB-CH2 3.79Å; A256-W288 HydrophobicContact CB-CZ2 3.97Å; F257-W288 HydrophobicContact CB-CD2 4.36Å; F257-W288 HydrophobicContact CD2-CB 3.76Å; F257-W288 AromaticContact CD2-CD1 3.97Å; F257-W288 AromaticContact CD2-CD2 3.94Å; F257-W288 HydrophobicContact CD2-CD2 3.94Å; F257-W288 HydrophobicContact CD2-CE3 4.47Å; F257-W288 AromaticContact CD2-CG 3.58Å; F257-W288 HydrophobicContact CD2-CG 3.58Å; F257-W288 HydrophobicContact CE2-CB 3.95Å; F257-W288 HydrophobicContact CE2-CG 4.26Å; W260-W288 HydrophobicContact CB-CE3 4.14Å; W260-W288 HydrophobicContact CB-CZ3 3.72Å; W260-W288 AromaticContact CD2-CE3 3.57Å; W260-W288 HydrophobicContact CD2-CE3 3.57Å; W260-W288 HydrophobicContact CD2-CZ3 4.01Å; W260-W288 HydrophobicContact CE3-CB 4.29Å; W260-W288 HydrophobicContact CE3-CD2 4.35Å; W260-W288 AromaticContact CE3-CE3 3.62Å; W260-W288 HydrophobicContact CE3-CE3 3.62Å; W260-W288 HydrophobicContact CE3-CZ3 4.39Å; W260-W288 AromaticContact CG-CE3 3.8Å; W260-W288 HydrophobicContact CG-CE3 3.8Å; W260-W288 AromaticContact CG-CZ3 3.7Å; W260-W288 HydrophobicContact CG-CZ3 3.7Å; W260-W288 HydrophobicContact CH2-CB 4.12Å; W260-W288 HydrophobicContact CZ3-CB 3.8Å; W260-W288 HydrophobicContact CZ3-CE3 4.26Å; L284-W288 WeakPolarHBondContact O-CB 3.2Å; L284-W288 PolarHBondContact O-N 3.37Å; N286-W288 VanDerWaalsContact C-N 3.31Å; N286-W288 PolarHBondContact O-N 2.88Å; W288-L291 HydrophobicContact CE3-CD1 4Å; W288-L291 HydrophobicContact CZ3-CD1 4.37Å; W288-K296 HydrophobicContact CH2-CB 4.12Å; W288-K296 HydrophobicContact CH2-CG 3.79Å; W288-K296 HydrophobicContact CZ2-CD 4.39Å; W288-K296 HydrophobicContact CZ2-CG 4.04Å; W288-K296 HydrophobicContact CZ3-CG 4.08Å; W288-K296 WeakPolarHBondContact O-CE 3.3Å; W288-K296 PolarHBondContact O-NZ 3.18Å; W288-F299 HydrophobicContact CH2-CB 4.29Å; W288-F299 HydrophobicContact CZ3-CB 4.43Å |
| 289 | K | 97.9 | Very high | 97.9 | Very high | 157 Ų | 157 | 68.2 Ų | 68.2 | 68% | 0.683 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -74.1 | -44 | 175.5 | -65.5 | 169.6 | -175.2 | 172.2 | 0 | 110.8 | G285 N286 L287 K296 | G285-K289 WeakPolarHBondContact O-CD 3.2Å; G285-K289 WeakPolarHBondContact O-CE 3.3Å; G285-K289 WeakPolarHBondContact O-CG 3.45Å; N286-K289 WeakPolarHBondContact O-CB 3.46Å; N286-K289 PolarHBondContact O-N 3.27Å; L287-K289 PolarHBondContact O-N 3.47Å; K289-K296 PolarHBondContact O-NZ 3.21Å |
| 290 | S | 97.9 | Very high | 97.9 | Very high | 92 Ų | 92 | 68.9 Ų | 68.9 | 64% | 0.643 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -75.7 | -19 | -176.8 | 56.7 | 0 | 0 | 0 | 0 | 115.2 | N286 L287 | N286-S290 PolarHBondContact O-N 3.21Å; L287-S290 WeakPolarHBondContact CA-OG 3.16Å; L287-S290 PolarHBondContact O-N 3.45Å; L287-S290 PolarHBondContact O-OG 2.96Å |
| 291 | L | 97.4 | Very high | 98 | Very high | 45 Ų | 45 | 74 Ų | 74 | 24% | 0.236 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -55.8 | 145.5 | 170 | -76.5 | 178.5 | 0 | 0 | 0 | 111.5 | W260 L287 W288 D295 K296 | W260-L291 HydrophobicContact CZ2-CD1 3.86Å; L287-L291 WeakPolarHBondContact O-CG 3.43Å; L287-L291 PolarHBondContact O-N 3.47Å; W288-L291 HydrophobicContact CE3-CD1 4Å; W288-L291 HydrophobicContact CZ3-CD1 4.37Å; L291-D295 HydrophobicContact CB-CB 4.18Å; L291-D295 HydrophobicContact CD2-CB 3.95Å; L291-D295 HydrophobicContact CG-CB 4.45Å; L291-K296 HydrophobicContact CB-CG 4.33Å; L291-K296 WeakPolarHBondContact O-CE 3.19Å; L291-K296 PolarHBondContact O-NZ 2.95Å |
| 292 | T | 98.2 | Very high | 97.9 | Very high | 70 Ų | 70 | 73.4 Ų | 73.4 | 43% | 0.429 | 39% | 0.385 | S | S | . | . | trans | -69 | 168.4 | 174.4 | 68.7 | 0 | 0 | 0 | 0 | 111.1 | T294 D295 K296 | T292-T294 VanDerWaalsContact C-N 3.31Å; T292-T294 PolarHBondContact OG1-N 3.25Å; T292-T294 PolarHBondContact OG1-OG1 2.8Å; T292-D295 WeakPolarHBondContact CB-OD2 3.49Å; T292-D295 PolarHBondContact N-OD2 2.86Å; T292-D295 PolarHBondContact OG1-N 2.91Å; T292-D295 VanDerWaalsContact OG1-N 3.07Å; T292-D295 PolarHBondContact OG1-OD1 2.78Å; T292-D295 PolarHBondContact OG1-OD2 3.46Å; T292-K296 VanDerWaalsContact O-CD 3.31Å; T292-K296 WeakPolarHBondContact O-CD 3.37Å; T292-K296 VanDerWaalsContact O-CG 3.29Å; T292-K296 WeakPolarHBondContact O-CG 3.48Å; T292-K296 PolarHBondContact O-N 2.8Å | ||
| 293 | N | 97.3 | Very high | 97.9 | Very high | 133 Ų | 133 | 68.1 Ų | 68.1 | 71% | 0.711 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -67.1 | -36 | 172.3 | -73.9 | -17.2 | 0 | 0 | 0 | 111.4 | D295 K296 I297 | N293-D295 PolarHBondContact O-N 2.77Å; N293-K296 WeakPolarHBondContact O-CB 3.48Å; N293-K296 PolarHBondContact O-N 2.88Å; N293-K296 VanDerWaalsContact O-N 3.08Å; N293-I297 WeakPolarHBondContact O-CG1 3.41Å; N293-I297 PolarHBondContact O-N 3.46Å; N293-I297 VanDerWaalsContact O-N 3.17Å |
| 294 | T | 98.1 | Very high | 97.9 | Very high | 101 Ų | 101 | 67.4 Ų | 67.4 | 62% | 0.62 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -59.5 | -43.1 | 174.2 | 31.1 | 0 | 0 | 0 | 0 | 112.5 | T292 K296 I297 | T292-T294 VanDerWaalsContact C-N 3.31Å; T292-T294 PolarHBondContact OG1-N 3.25Å; T292-T294 PolarHBondContact OG1-OG1 2.8Å; T294-K296 PolarHBondContact O-N 2.87Å; T294-I297 PolarHBondContact O-N 3.38Å |
| 295 | D | 97.7 | Very high | 97.9 | Very high | 73 Ų | 73 | 74 Ų | 74 | 39% | 0.39 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.5 | -25 | 175.6 | -52 | -42 | 0 | 0 | 0 | 112.9 | L291 T292 N293 F299 | L291-D295 HydrophobicContact CB-CB 4.18Å; L291-D295 HydrophobicContact CD2-CB 3.95Å; L291-D295 HydrophobicContact CG-CB 4.45Å; T292-D295 WeakPolarHBondContact CB-OD2 3.49Å; T292-D295 PolarHBondContact N-OD2 2.86Å; T292-D295 PolarHBondContact OG1-N 2.91Å; T292-D295 VanDerWaalsContact OG1-N 3.07Å; T292-D295 PolarHBondContact OG1-OD1 2.78Å; T292-D295 PolarHBondContact OG1-OD2 3.46Å; N293-D295 PolarHBondContact O-N 2.77Å; D295-F299 VanDerWaalsContact O-CD2 3.22Å; D295-F299 WeakPolarHBondContact O-CD2 3.42Å; D295-F299 VanDerWaalsContact O-CE2 3.3Å; D295-F299 WeakPolarHBondContact O-CE2 3.26Å |
| 296 | K | 98.2 | Very high | 97.9 | Very high | 27 Ų | 27 | 74.9 Ų | 74.9 | 12% | 0.117 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -84.7 | -27.1 | -177.4 | -70.3 | 163.2 | 176.2 | 146.4 | 0 | 112.8 | W288 K289 L291 T292 N293 T294 F299 I300 | W288-K296 HydrophobicContact CH2-CB 4.12Å; W288-K296 HydrophobicContact CH2-CG 3.79Å; W288-K296 HydrophobicContact CZ2-CD 4.39Å; W288-K296 HydrophobicContact CZ2-CG 4.04Å; W288-K296 HydrophobicContact CZ3-CG 4.08Å; W288-K296 WeakPolarHBondContact O-CE 3.3Å; W288-K296 PolarHBondContact O-NZ 3.18Å; K289-K296 PolarHBondContact O-NZ 3.21Å; L291-K296 HydrophobicContact CB-CG 4.33Å; L291-K296 WeakPolarHBondContact O-CE 3.19Å; L291-K296 PolarHBondContact O-NZ 2.95Å; T292-K296 VanDerWaalsContact O-CD 3.31Å; T292-K296 WeakPolarHBondContact O-CD 3.37Å; T292-K296 VanDerWaalsContact O-CG 3.29Å; T292-K296 WeakPolarHBondContact O-CG 3.48Å; T292-K296 PolarHBondContact O-N 2.8Å; N293-K296 WeakPolarHBondContact O-CB 3.48Å; N293-K296 PolarHBondContact O-N 2.88Å; N293-K296 VanDerWaalsContact O-N 3.08Å; T294-K296 PolarHBondContact O-N 2.87Å; K296-F299 PolarHBondContact O-N 3.04Å; K296-F299 VanDerWaalsContact O-N 3.17Å; K296-I300 HydrophobicContact CB-CD1 3.92Å; K296-I300 WeakPolarHBondContact O-CG1 3.03Å; K296-I300 PolarHBondContact O-N 2.94Å |
| 297 | I | 98.2 | Very high | 97.8 | Very high | 79 Ų | 79 | 75.2 Ų | 75.2 | 41% | 0.405 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -47.4 | -58.3 | -177.3 | -73.2 | 170.7 | 0 | 0 | 0 | 112.9 | N293 T294 F299 I300 E301 | N293-I297 WeakPolarHBondContact O-CG1 3.41Å; N293-I297 PolarHBondContact O-N 3.46Å; N293-I297 VanDerWaalsContact O-N 3.17Å; T294-I297 PolarHBondContact O-N 3.38Å; I297-F299 PolarHBondContact O-N 2.75Å; I297-F299 VanDerWaalsContact O-N 3.14Å; I297-I300 WeakPolarHBondContact O-CA 3.45Å; I297-I300 WeakPolarHBondContact O-CB 3.4Å; I297-I300 PolarHBondContact O-N 3.24Å; I297-E301 VanDerWaalsContact CG2-CD 3.5Å; I297-E301 HydrophobicContact CG2-CG 4.19Å; I297-E301 WeakPolarHBondContact CG2-OE1 3.4Å; I297-E301 WeakPolarHBondContact O-CG 3.18Å; I297-E301 PolarHBondContact O-N 3.18Å |
| 298 | P | 97.8 | Very high | 97.8 | Very high | 65 Ų | 65 | 75.1 Ų | 75.1 | 42% | 0.422 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.8 | -30.3 | -175.3 | 22.2 | -34.1 | 0 | 0 | 0 | 113.3 | E302 | P298-E302 WeakPolarHBondContact O-CB 3.43Å; P298-E302 PolarHBondContact O-N 2.85Å |
| 299 | F | 98.2 | Very high | 97.7 | Very high | 49 Ų | 49 | 75.8 Ų | 75.8 | 22% | 0.215 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -78.9 | -25.8 | 176 | -53.7 | -71.9 | 0 | 0 | 0 | 112.7 | A256 V259 W260 W288 D295 K296 I297 A303 | A256-F299 VanDerWaalsContact CA-O 3.27Å; A256-F299 WeakPolarHBondContact CA-O 3.45Å; A256-F299 HydrophobicContact CB-CB 4.29Å; A256-F299 VanDerWaalsContact CB-O 3.28Å; A256-F299 WeakPolarHBondContact CB-O 3.39Å; V259-F299 HydrophobicContact CG1-CD1 4.17Å; W260-F299 HydrophobicContact CB-CB 4.22Å; W260-F299 HydrophobicContact CB-CD1 3.77Å; W260-F299 HydrophobicContact CB-CD2 4.27Å; W260-F299 HydrophobicContact CB-CE1 4.24Å; W260-F299 HydrophobicContact CB-CG 3.8Å; W260-F299 AromaticContact CD1-CD2 3.85Å; W260-F299 AromaticContact CD1-CE2 3.61Å; W260-F299 AromaticContact CD1-CZ 3.71Å; W260-F299 HydrophobicContact CG-CD1 4.48Å; W260-F299 HydrophobicContact CG-CD2 4.4Å; W260-F299 HydrophobicContact CG-CG 4.4Å; W288-F299 HydrophobicContact CH2-CB 4.29Å; W288-F299 HydrophobicContact CZ3-CB 4.43Å; D295-F299 VanDerWaalsContact O-CD2 3.22Å; D295-F299 WeakPolarHBondContact O-CD2 3.42Å; D295-F299 VanDerWaalsContact O-CE2 3.3Å; D295-F299 WeakPolarHBondContact O-CE2 3.26Å; K296-F299 PolarHBondContact O-N 3.04Å; K296-F299 VanDerWaalsContact O-N 3.17Å; I297-F299 PolarHBondContact O-N 2.75Å; I297-F299 VanDerWaalsContact O-N 3.14Å; F299-A303 WeakPolarHBondContact O-CB 3.43Å; F299-A303 PolarHBondContact O-N 3.28Å |
| 300 | I | 97.9 | Very high | 97.7 | Very high | 73 Ų | 73 | 69.4 Ų | 69.4 | 37% | 0.374 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -73.5 | -43.8 | 171.5 | -67.8 | 164.6 | 0 | 0 | 0 | 110 | A256 K296 I297 A303 N304 | A256-I300 HydrophobicContact CB-CG1 3.83Å; K296-I300 HydrophobicContact CB-CD1 3.92Å; K296-I300 WeakPolarHBondContact O-CG1 3.03Å; K296-I300 PolarHBondContact O-N 2.94Å; I297-I300 WeakPolarHBondContact O-CA 3.45Å; I297-I300 WeakPolarHBondContact O-CB 3.4Å; I297-I300 PolarHBondContact O-N 3.24Å; I300-A303 PolarHBondContact O-N 2.93Å; I300-N304 PolarHBondContact O-N 2.86Å; I300-N304 PolarHBondContact O-ND2 3.01Å |
| 301 | E | 98.2 | Very high | 97.6 | Very high | 110 Ų | 110 | 69 Ų | 69 | 51% | 0.514 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62 | -49.9 | 176.3 | -70 | 172.2 | 160.3 | 0 | 0 | 111.6 | I297 A303 N304 R305 | I297-E301 VanDerWaalsContact CG2-CD 3.5Å; I297-E301 HydrophobicContact CG2-CG 4.19Å; I297-E301 WeakPolarHBondContact CG2-OE1 3.4Å; I297-E301 WeakPolarHBondContact O-CG 3.18Å; I297-E301 PolarHBondContact O-N 3.18Å; E301-A303 VanDerWaalsContact C-N 3.29Å; E301-A303 PolarHBondContact O-N 2.89Å; E301-N304 WeakPolarHBondContact O-CB 3.32Å; E301-N304 PolarHBondContact O-N 2.77Å; E301-N304 VanDerWaalsContact O-N 3.07Å; E301-R305 PolarHBondContact O-N 3.14Å |
| 302 | E | 96.8 | Very high | 97.6 | Very high | 24 Ų | 24 | 76.3 Ų | 76.3 | 11% | 0.112 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.5 | -38.2 | 174.5 | 171.9 | 58.3 | -178.4 | 0 | 0 | 111.9 | V259 P298 N304 R305 L306 | V259-E302 HydrophobicContact CG1-CB 4.34Å; V259-E302 HydrophobicContact CG1-CG 3.68Å; V259-E302 HydrophobicContact CG2-CG 4.23Å; P298-E302 WeakPolarHBondContact O-CB 3.43Å; P298-E302 PolarHBondContact O-N 2.85Å; E302-N304 VanDerWaalsContact C-N 3.33Å; E302-N304 PolarHBondContact O-N 3.02Å; E302-R305 PolarHBondContact O-N 3.07Å; E302-R305 IonicContact OE1-CZ 2.64Å; E302-R305 IonicContact OE1-NH2 3.3Å; E302-R305 PolarHBondContact OE1-NH2 3.02Å; E302-R305 IonicContact OE2-CZ 2.69Å; E302-R305 IonicContact OE2-NE 2.9Å; E302-R305 PolarHBondContact OE2-NE 3.23Å; E302-R305 IonicContact OE2-NH2 3.96Å; E302-R305 PolarHBondContact OE2-NH2 3.25Å; E302-L306 HydrophobicContact CG-CD1 4.01Å; E302-L306 HydrophobicContact CG-CG 4.39Å; E302-L306 VanDerWaalsContact O-CB 3.3Å; E302-L306 WeakPolarHBondContact O-CB 3.5Å; E302-L306 WeakPolarHBondContact O-CG 3.47Å; E302-L306 PolarHBondContact O-N 2.86Å; E302-L306 WeakPolarHBondContact OE1-CD1 3.4Å; E302-L306 WeakPolarHBondContact OE1-CG 3.26Å |
| 303 | A | 97.8 | Very high | 97.4 | Very high | 5 Ų | 5 | 78.4 Ų | 78.4 | 4% | 0.041 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -69.4 | -27.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A256 V259 F299 I300 E301 R307 | A256-A303 HydrophobicContact CB-CB 4.16Å; A256-A303 VanDerWaalsContact N-CB 3.26Å; V259-A303 HydrophobicContact CG2-CB 4.37Å; F299-A303 WeakPolarHBondContact O-CB 3.43Å; F299-A303 PolarHBondContact O-N 3.28Å; I300-A303 PolarHBondContact O-N 2.93Å; E301-A303 VanDerWaalsContact C-N 3.29Å; E301-A303 PolarHBondContact O-N 2.89Å; A303-R307 WeakPolarHBondContact O-CB 3.35Å; A303-R307 PolarHBondContact O-N 3.06Å |
| 304 | N | 98.1 | Very high | 97.4 | Very high | 58 Ų | 58 | 75.5 Ų | 75.5 | 31% | 0.31 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -71.5 | -52.5 | 170 | -68 | -24.7 | 0 | 0 | 0 | 109.8 | I300 E301 E302 L306 R307 D308 | I300-N304 PolarHBondContact O-N 2.86Å; I300-N304 PolarHBondContact O-ND2 3.01Å; E301-N304 WeakPolarHBondContact O-CB 3.32Å; E301-N304 PolarHBondContact O-N 2.77Å; E301-N304 VanDerWaalsContact O-N 3.07Å; E302-N304 VanDerWaalsContact C-N 3.33Å; E302-N304 PolarHBondContact O-N 3.02Å; N304-L306 VanDerWaalsContact C-N 3.27Å; N304-L306 PolarHBondContact O-N 3.29Å; N304-R307 CarbonylContact O-C 3.4Å; N304-R307 WeakPolarHBondContact O-CA 3.42Å; N304-R307 VanDerWaalsContact O-CB 3.26Å; N304-R307 WeakPolarHBondContact O-CB 3.28Å; N304-R307 PolarHBondContact O-N 3.45Å; N304-R307 VanDerWaalsContact OD1-CZ 3.24Å; N304-R307 PolarHBondContact OD1-NH1 2.85Å; N304-R307 PolarHBondContact OD1-NH2 2.98Å; N304-D308 PolarHBondContact O-N 3.49Å |
| 305 | R | 98.2 | Very high | 97.3 | Very high | 138 Ų | 138 | 75.7 Ų | 75.7 | 52% | 0.521 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -53.5 | -41.9 | 176.6 | -165.7 | -170 | 68.8 | 97.4 | 5.2 | 112.5 | E301 E302 D308 C309 | E301-R305 PolarHBondContact O-N 3.14Å; E302-R305 PolarHBondContact O-N 3.07Å; E302-R305 IonicContact OE1-CZ 2.64Å; E302-R305 IonicContact OE1-NH2 3.3Å; E302-R305 PolarHBondContact OE1-NH2 3.02Å; E302-R305 IonicContact OE2-CZ 2.69Å; E302-R305 IonicContact OE2-NE 2.9Å; E302-R305 PolarHBondContact OE2-NE 3.23Å; E302-R305 IonicContact OE2-NH2 3.96Å; E302-R305 PolarHBondContact OE2-NH2 3.25Å; R305-D308 PolarHBondContact O-N 2.92Å; R305-C309 WeakPolarHBondContact O-CB 3.24Å; R305-C309 PolarHBondContact O-N 3.4Å |
| 306 | L | 97.2 | Very high | 97.1 | Very high | 41 Ų | 41 | 79.8 Ų | 79.8 | 22% | 0.215 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -67.1 | -35.5 | 174.1 | -73.6 | 172.6 | 0 | 0 | 0 | 113.1 | M254 V259 E302 N304 H310 | M254-L306 HydrophobicContact CB-CD1 4.31Å; M254-L306 HydrophobicContact CE-CD1 3.83Å; V259-L306 HydrophobicContact CG2-CD1 3.73Å; E302-L306 HydrophobicContact CG-CD1 4.01Å; E302-L306 HydrophobicContact CG-CG 4.39Å; E302-L306 VanDerWaalsContact O-CB 3.3Å; E302-L306 WeakPolarHBondContact O-CB 3.5Å; E302-L306 WeakPolarHBondContact O-CG 3.47Å; E302-L306 PolarHBondContact O-N 2.86Å; E302-L306 WeakPolarHBondContact OE1-CD1 3.4Å; E302-L306 WeakPolarHBondContact OE1-CG 3.26Å; N304-L306 VanDerWaalsContact C-N 3.27Å; N304-L306 PolarHBondContact O-N 3.29Å; L306-H310 VanDerWaalsContact O-CB 3.24Å; L306-H310 WeakPolarHBondContact O-CB 3.33Å; L306-H310 PolarHBondContact O-N 2.71Å; L306-H310 VanDerWaalsContact O-N 3.11Å |
| 307 | R | 97.1 | Very high | 97 | Very high | 108 Ų | 108 | 80.8 Ų | 80.8 | 41% | 0.408 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.3 | -47.5 | 172.9 | -171.1 | -165.6 | -52.1 | 110.9 | 8.6 | 110.7 | P253 A303 N304 H310 M311 | P253-R307 HydrophobicContact CG-CG 4.46Å; A303-R307 WeakPolarHBondContact O-CB 3.35Å; A303-R307 PolarHBondContact O-N 3.06Å; N304-R307 CarbonylContact O-C 3.4Å; N304-R307 WeakPolarHBondContact O-CA 3.42Å; N304-R307 VanDerWaalsContact O-CB 3.26Å; N304-R307 WeakPolarHBondContact O-CB 3.28Å; N304-R307 PolarHBondContact O-N 3.45Å; N304-R307 VanDerWaalsContact OD1-CZ 3.24Å; N304-R307 PolarHBondContact OD1-NH1 2.85Å; N304-R307 PolarHBondContact OD1-NH2 2.98Å; R307-H310 CarbonylContact O-C 3.56Å; R307-H310 WeakPolarHBondContact O-CA 3.09Å; R307-H310 VanDerWaalsContact O-CB 3.32Å; R307-H310 WeakPolarHBondContact O-CB 3.1Å; R307-H310 PolarHBondContact O-N 3.11Å; R307-M311 WeakPolarHBondContact O-CG 3.38Å; R307-M311 PolarHBondContact O-N 3.09Å |
| 308 | D | 97.2 | Very high | 96.9 | Very high | 79 Ų | 79 | 85.2 Ų | 85.2 | 42% | 0.422 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -73.1 | -37.6 | -172.1 | -53 | -25.5 | 0 | 0 | 0 | 110.9 | N304 R305 H310 M311 R312 | N304-D308 PolarHBondContact O-N 3.49Å; R305-D308 PolarHBondContact O-N 2.92Å; D308-H310 VanDerWaalsContact C-N 3.3Å; D308-H310 PolarHBondContact O-N 2.94Å; D308-M311 PolarHBondContact O-N 3.5Å; D308-R312 WeakPolarHBondContact O-CB 3.47Å; D308-R312 PolarHBondContact O-N 2.98Å |
| 309 | C | 96.5 | Very high | 96.8 | Very high | 65 Ų | 65 | 87.6 Ų | 87.6 | 44% | 0.439 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -58.7 | -40.4 | 166.7 | -174.9 | 0 | 0 | 0 | 0 | 112 | R305 R312 R313 | R305-C309 WeakPolarHBondContact O-CB 3.24Å; R305-C309 PolarHBondContact O-N 3.4Å; C309-R312 PolarHBondContact O-N 2.99Å; C309-R313 WeakPolarHBondContact O-CB 3.37Å; C309-R313 PolarHBondContact O-N 2.81Å |
| 310 | H | 97.5 | Very high | 96.5 | Very high | 23 Ų | 23 | 88.7 Ų | 88.7 | 11% | 0.106 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -68.6 | -41.7 | 177.4 | -167.2 | 81.3 | 0 | 0 | 0 | 112.9 | I250 K251 P253 L306 R307 D308 R313 Y314 Y317 | I250-H310 WeakPolarHBondContact CG2-CE1 3.08Å; K251-H310 PolarHBondContact O-CE1 3.04Å; K251-H310 PolarHBondContact O-NE2 2.95Å; P253-H310 HydrophobicContact CB-CB 4.05Å; P253-H310 HydrophobicContact CG-CB 4.26Å; L306-H310 VanDerWaalsContact O-CB 3.24Å; L306-H310 WeakPolarHBondContact O-CB 3.33Å; L306-H310 PolarHBondContact O-N 2.71Å; L306-H310 VanDerWaalsContact O-N 3.11Å; R307-H310 CarbonylContact O-C 3.56Å; R307-H310 WeakPolarHBondContact O-CA 3.09Å; R307-H310 VanDerWaalsContact O-CB 3.32Å; R307-H310 WeakPolarHBondContact O-CB 3.1Å; R307-H310 PolarHBondContact O-N 3.11Å; D308-H310 VanDerWaalsContact C-N 3.3Å; D308-H310 PolarHBondContact O-N 2.94Å; H310-R313 PolarHBondContact O-N 2.99Å; H310-Y314 AromaticContact CE1-CD2 3.55Å; H310-Y314 AromaticContact CE1-CE2 3.89Å; H310-Y314 AromaticContact ND1-CD2 3.57Å; H310-Y314 AromaticContact ND1-CE2 3.84Å; H310-Y314 WeakPolarHBondContact O-CB 3.36Å; H310-Y314 PolarHBondContact O-N 3.21Å; H310-Y317 AromaticContact NE2-CD2 3.67Å; H310-Y317 AromaticContact NE2-CE2 3.77Å; H310-Y317 AromaticContact NE2-CG 3.79Å; H310-Y317 AromaticContact NE2-CZ 3.98Å |
| 311 | M | 96 | Very high | 96.2 | Very high | 83 Ų | 83 | 88.8 Ų | 88.8 | 41% | 0.409 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 173.6 | -61.5 | -63 | 86.1 | 0 | 0 | 111.1 | R307 D308 R313 Y314 P315 Y317 | R307-M311 WeakPolarHBondContact O-CG 3.38Å; R307-M311 PolarHBondContact O-N 3.09Å; D308-M311 PolarHBondContact O-N 3.5Å; M311-R313 PolarHBondContact O-N 2.79Å; M311-Y314 CarbonylContact O-C 3.28Å; M311-Y314 VanDerWaalsContact O-C 3.28Å; M311-Y314 PolarHBondContact O-N 3.38Å; M311-P315 WeakPolarHBondContact O-CA 3.22Å; M311-P315 VanDerWaalsContact O-N 3.13Å; M311-Y317 HydrophobicContact CE-CD1 4.04Å |
| 312 | R | 96.7 | Very high | 95.9 | Very high | 198 Ų | 198 | 93.8 Ų | 93.8 | 75% | 0.747 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -63 | -39.2 | 178.1 | -169.9 | -178 | -62.6 | 115.1 | 2.2 | 112.8 | D308 C309 | D308-R312 WeakPolarHBondContact O-CB 3.47Å; D308-R312 PolarHBondContact O-N 2.98Å; C309-R312 PolarHBondContact O-N 2.99Å |
| 313 | R | 95.6 | Very high | 95.6 | Very high | 115 Ų | 115 | 104 Ų | 104 | 43% | 0.434 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -82.3 | -23.8 | 179.5 | -170.8 | 162.9 | -177 | 76.5 | -3.7 | 113.7 | L238 C309 H310 M311 | L238-R313 PolarHBondContact O-NH2 2.95Å; C309-R313 WeakPolarHBondContact O-CB 3.37Å; C309-R313 PolarHBondContact O-N 2.81Å; H310-R313 PolarHBondContact O-N 2.99Å; M311-R313 PolarHBondContact O-N 2.79Å |
| 314 | Y | 95.6 | Very high | 95.1 | Very high | 71 Ų | 71 | 112.2 Ų | 112.2 | 28% | 0.278 | 51% | 0.508 | S | S | . | . | trans | -134.8 | 68.4 | -179.1 | -53.5 | -72 | 0 | 0 | 0 | 110.7 | I250 H310 M311 N316 Y317 | I250-Y314 HydrophobicContact CD1-CD1 3.56Å; I250-Y314 HydrophobicContact CD1-CE1 4.1Å; I250-Y314 HydrophobicContact CD1-CG 4.01Å; I250-Y314 HydrophobicContact CG1-CD1 4.13Å; I250-Y314 HydrophobicContact CG1-CE1 4.19Å; I250-Y314 HydrophobicContact CG2-CD1 4.43Å; I250-Y314 HydrophobicContact CG2-CD2 4.02Å; I250-Y314 HydrophobicContact CG2-CE2 4.2Å; I250-Y314 HydrophobicContact CG2-CG 4.14Å; H310-Y314 AromaticContact CE1-CD2 3.55Å; H310-Y314 AromaticContact CE1-CE2 3.89Å; H310-Y314 AromaticContact ND1-CD2 3.57Å; H310-Y314 AromaticContact ND1-CE2 3.84Å; H310-Y314 WeakPolarHBondContact O-CB 3.36Å; H310-Y314 PolarHBondContact O-N 3.21Å; M311-Y314 CarbonylContact O-C 3.28Å; M311-Y314 VanDerWaalsContact O-C 3.28Å; M311-Y314 PolarHBondContact O-N 3.38Å; Y314-N316 PolarHBondContact O-N 2.95Å; Y314-Y317 WeakPolarHBondContact O-CB 3.46Å; Y314-Y317 PolarHBondContact O-N 3.3Å | ||
| 315 | P | 96.1 | Very high | 94.6 | Very high | 105 Ų | 105 | 120.7 Ų | 120.7 | 68% | 0.682 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -32.7 | -175.8 | 22.6 | -33.8 | 0 | 0 | 0 | 112.8 | M311 Y317 | M311-P315 WeakPolarHBondContact O-CA 3.22Å; M311-P315 VanDerWaalsContact O-N 3.13Å; P315-Y317 PolarHBondContact O-N 3.4Å |
| 316 | N | 94.7 | Very high | 93.7 | Very high | 160 Ų | 160 | 123.8 Ų | 123.8 | 86% | 0.856 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | 14.6 | 176.9 | -63.4 | -19.4 | 0 | 0 | 0 | 113.5 | Y314 K318 | Y314-N316 PolarHBondContact O-N 2.95Å; N316-K318 PolarHBondContact O-N 2.91Å |
| 317 | Y | 96.4 | Very high | 92.8 | Very high | 47 Ų | 47 | 129.2 Ų | 129.2 | 18% | 0.184 | 58% | 0.577 | C | S | . | * | trans | -69.9 | 118.3 | -178.1 | -179.2 | -97.9 | 0 | 0 | 0 | 112.6 | I250 H310 M311 Y314 P315 | I250-Y317 HydrophobicContact CB-CD2 3.91Å; I250-Y317 HydrophobicContact CB-CE2 3.87Å; I250-Y317 HydrophobicContact CD1-CD2 4.31Å; I250-Y317 HydrophobicContact CG2-CD2 3.53Å; I250-Y317 HydrophobicContact CG2-CE2 3.58Å; H310-Y317 AromaticContact NE2-CD2 3.67Å; H310-Y317 AromaticContact NE2-CE2 3.77Å; H310-Y317 AromaticContact NE2-CG 3.79Å; H310-Y317 AromaticContact NE2-CZ 3.98Å; M311-Y317 HydrophobicContact CE-CD1 4.04Å; Y314-Y317 WeakPolarHBondContact O-CB 3.46Å; Y314-Y317 PolarHBondContact O-N 3.3Å; P315-Y317 PolarHBondContact O-N 3.4Å | ||
| 318 | K | 94.6 | Very high | 91.5 | Very high | 172 Ų | 172 | 129.3 Ų | 129.3 | 75% | 0.748 | 59% | 0.592 | S | S | * | * | trans | -118.9 | 126 | 174.3 | -162.1 | 166.3 | -173.7 | 167.6 | 0 | 111.8 | N316 C320 | N316-K318 PolarHBondContact O-N 2.91Å; K318-C320 PolarHBondContact O-N 2.83Å | ||
| 319 | Y | 95.6 | Very high | 90 | Very high | 115 Ų | 115 | 130.6 Ų | 130.6 | 45% | 0.451 | 60% | 0.603 | S | S | . | * | trans | -73.3 | 95.4 | 175.9 | 169.6 | -132.5 | 0 | 0 | 0 | 111.3 | R252 P321 | R252-Y319 VanDerWaalsContact CZ-CZ 3.49Å; R252-Y319 VanDerWaalsContact NH1-CE2 3.35Å; R252-Y319 PolarHBondContact NH1-OH 3.45Å; R252-Y319 PolarHBondContact NH2-OH 3.47Å; Y319-P321 HydrophobicContact CE1-CG 4.23Å; Y319-P321 HydrophobicContact CE2-CB 3.88Å; Y319-P321 HydrophobicContact CE2-CG 4.19Å; Y319-P321 WeakPolarHBondContact O-CD 3.44Å | ||
| 320 | C | 91.7 | Very high | 88.3 | Confident | 72 Ų | 72 | 134.8 Ų | 134.8 | 49% | 0.486 | 62% | 0.621 | S | S | . | * | trans | -102.7 | 91.7 | 177.4 | -64.1 | 0 | 0 | 0 | 0 | 111.8 | R249 K318 R322 | R249-C320 PolarHBondContact NH2-O 3.46Å; K318-C320 PolarHBondContact O-N 2.83Å; C320-R322 PolarHBondContact O-N 2.83Å | ||
| 321 | P | 92.5 | Very high | 86.5 | Confident | 76 Ų | 76 | 141.9 Ų | 141.9 | 49% | 0.494 | 65% | 0.651 | S | S | . | * | trans | -69.3 | 126.8 | 176.2 | 25 | -32.1 | 0 | 0 | 0 | 112.6 | Y319 R323 | Y319-P321 HydrophobicContact CE1-CG 4.23Å; Y319-P321 HydrophobicContact CE2-CB 3.88Å; Y319-P321 HydrophobicContact CE2-CG 4.19Å; Y319-P321 WeakPolarHBondContact O-CD 3.44Å; P321-R323 PolarHBondContact O-N 3.47Å; P321-R323 VanDerWaalsContact O-N 3.13Å | ||
| 322 | R | 91.3 | Very high | 84.4 | Confident | 215 Ų | 215 | 143.4 Ų | 143.4 | 81% | 0.811 | 67% | 0.665 | S | S | * | * | trans | -73.9 | 103.4 | 177.6 | -172.3 | 177 | -171.2 | -108.4 | 4.8 | 110.7 | C320 K324 | C320-R322 PolarHBondContact O-N 2.83Å; R322-K324 PolarHBondContact O-N 3.49Å | ||
| 323 | R | 91.1 | Very high | 82.4 | Confident | 237 Ų | 237 | 138.7 Ų | 138.7 | 89% | 0.894 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 116.9 | 168.8 | -58.2 | -179.5 | 94.2 | 101.5 | -5.5 | 108.6 | P321 | P321-R323 PolarHBondContact O-N 3.47Å; P321-R323 VanDerWaalsContact O-N 3.13Å |
| 324 | K | 88.3 | Confident | 80.4 | Confident | 178 Ų | 178 | 139.5 Ų | 139.5 | 77% | 0.774 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 131.7 | 167.2 | -65.2 | -175.1 | -179.8 | -176.7 | 0 | 107.8 | R322 K326 | R322-K324 PolarHBondContact O-N 3.49Å; K324-K326 PolarHBondContact O-N 3.21Å |
| 325 | R | 86.9 | Confident | 78.2 | Confident | 236 Ų | 236 | 143.8 Ų | 143.8 | 89% | 0.891 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 125.9 | 166.4 | -71.1 | -175.1 | 178.7 | 177.8 | -0.8 | 107.4 | Q327 | R325-Q327 PolarHBondContact O-N 3.41Š|
| 326 | K | 80 | Confident | 76 | Confident | 203 Ų | 203 | 146 Ų | 146 | 88% | 0.883 | 69% | 0.694 | S | S | * | * | trans | -69 | 111.2 | 167.2 | -69.4 | -177.5 | -180 | 179.6 | 0 | 106.2 | K324 | K324-K326 PolarHBondContact O-N 3.21Š| ||
| 327 | Q | 76.6 | Confident | 73.8 | Confident | 156 Ų | 156 | 146.7 Ų | 146.7 | 73% | 0.729 | 69% | 0.689 | S | S | * | * | trans | -61.7 | 135.9 | 165.1 | -66.7 | -69.4 | 43.8 | 0 | 0 | 107.6 | R325 T329 | R325-Q327 PolarHBondContact O-N 3.41Å; Q327-T329 VanDerWaalsContact C-N 3.29Å; Q327-T329 PolarHBondContact O-N 2.89Å | ||
| 328 | P | 70 | Confident | 71.5 | Confident | 110 Ų | 110 | 150.5 Ų | 150.5 | 71% | 0.714 | 72% | 0.717 | S | S | * | * | trans | -69 | 91.2 | 173.9 | 28.7 | -33 | 0 | 0 | 0 | 108.5 | N330 | P328-N330 PolarHBondContact O-N 3.11Å; P328-N330 VanDerWaalsContact O-N 3.11Å | ||
| 329 | T | 67.4 | Low | 69.2 | Low | 105 Ų | 105 | 150.4 Ų | 150.4 | 64% | 0.644 | 72% | 0.717 | S | S | * | * | trans | -63.3 | 114.1 | 167.3 | 53.8 | 0 | 0 | 0 | 0 | 107.2 | Q327 K331 | Q327-T329 VanDerWaalsContact C-N 3.29Å; Q327-T329 PolarHBondContact O-N 2.89Å; T329-K331 PolarHBondContact O-N 3.42Å | ||
| 330 | N | 60 | Low | 66.6 | Low | 153 Ų | 153 | 150.8 Ų | 150.8 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | trans | -66.2 | 74.4 | 169.5 | -85.2 | -10.9 | 0 | 0 | 0 | 109.7 | P328 V332 | P328-N330 PolarHBondContact O-N 3.11Å; P328-N330 VanDerWaalsContact O-N 3.11Å; N330-V332 PolarHBondContact O-N 2.85Å | ||
| 331 | K | 59.4 | Low | 64.8 | Low | 172 Ų | 172 | 153 Ų | 153 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | trans | -70.4 | 85.4 | 160 | -69.4 | -168.5 | 176.9 | -168.3 | 0 | 106.3 | T329 V333 | T329-K331 PolarHBondContact O-N 3.42Å; K331-V333 HydrophobicContact CB-CG2 4.1Å; K331-V333 PolarHBondContact O-N 3.28Å | ||
| 332 | V | 51.7 | Low | 62.7 | Low | 116 Ų | 116 | 154 Ų | 154 | 70% | 0.703 | 75% | 0.751 | S | S | * | * | trans | -66 | 82.8 | 163.4 | -177.3 | 0 | 0 | 0 | 0 | 106.3 | N330 L334 | N330-V332 PolarHBondContact O-N 2.85Å; V332-L334 VanDerWaalsContact C-N 3.33Å; V332-L334 HydrophobicContact CG1-CG 4.33Å; V332-L334 PolarHBondContact O-N 3.2Å | ||
| 333 | V | 55.6 | Low | 60.9 | Low | 99 Ų | 99 | 152.1 Ų | 152.1 | 60% | 0.6 | 75% | 0.752 | S | S | * | * | trans | -74.5 | 95.3 | 173.4 | -171.1 | 0 | 0 | 0 | 0 | 106 | K331 Q335 | K331-V333 HydrophobicContact CB-CG2 4.1Å; K331-V333 PolarHBondContact O-N 3.28Å; V333-Q335 HydrophobicContact CB-CG 4.38Å; V333-Q335 HydrophobicContact CG1-CG 3.61Å; V333-Q335 PolarHBondContact O-N 3.2Å | ||
| 334 | L | 53.4 | Low | 58.7 | Low | 131 Ų | 131 | 147.3 Ų | 147.3 | 69% | 0.686 | 74% | 0.743 | S | S | * | * | trans | -65.3 | 79.1 | 168.1 | -76.4 | 168.3 | 0 | 0 | 0 | 108.9 | V332 H336 | V332-L334 VanDerWaalsContact C-N 3.33Å; V332-L334 HydrophobicContact CG1-CG 4.33Å; V332-L334 PolarHBondContact O-N 3.2Å; L334-H336 PolarHBondContact O-N 3.13Å | ||
| 335 | Q | 49.4 | Very low | 56.6 | Low | 161 Ų | 161 | 144.9 Ų | 144.9 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | trans | -73.7 | 61.3 | 167.7 | -63.2 | -161.9 | 22.3 | 0 | 0 | 109.9 | V333 K337 | V333-Q335 HydrophobicContact CB-CG 4.38Å; V333-Q335 HydrophobicContact CG1-CG 3.61Å; V333-Q335 PolarHBondContact O-N 3.2Å; Q335-K337 PolarHBondContact O-N 3.3Å | ||
| 336 | H | 50.6 | Low | 54.6 | Low | 151 Ų | 151 | 141.2 Ų | 141.2 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | trans | -72.2 | 72.9 | 166.1 | -89.4 | 93.5 | 0 | 0 | 0 | 109.2 | L334 V338 | L334-H336 PolarHBondContact O-N 3.13Å; H336-V338 HydrophobicContact CB-CG2 4.34Å; H336-V338 PolarHBondContact O-N 3.28Å | ||
| 337 | K | 46.8 | Very low | 52.8 | Low | 176 Ų | 176 | 140.2 Ų | 140.2 | 77% | 0.765 | 74% | 0.741 | S | S | * | * | trans | -75.4 | 64.7 | 170.5 | -173.1 | -177.5 | 176.2 | -178.9 | 0 | 108.5 | Q335 K339 | Q335-K337 PolarHBondContact O-N 3.3Å; K337-K339 PolarHBondContact O-N 3.07Å | ||
| 338 | V | 47.9 | Very low | 51 | Low | 127 Ų | 127 | 140.9 Ų | 140.9 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | trans | -61.7 | 122.5 | 179.1 | -178.7 | 0 | 0 | 0 | 0 | 108.7 | H336 | H336-V338 HydrophobicContact CB-CG2 4.34Å; H336-V338 PolarHBondContact O-N 3.28Å | ||
| 339 | K | 46.8 | Very low | 50 | Low | 169 Ų | 169 | 141.6 Ų | 141.6 | 74% | 0.735 | 75% | 0.751 | S | S | * | * | trans | -133.8 | 131.9 | 168.8 | -90.4 | -160.1 | 169 | -161.7 | 0 | 109.5 | K337 | K337-K339 PolarHBondContact O-N 3.07Š| ||
| 340 | T | 42.2 | Very low | 48.8 | Very low | 124 Ų | 124 | 143.7 Ų | 143.7 | 76% | 0.761 | 76% | 0.757 | S | S | * | * | trans | 70.5 | 142.8 | 158.9 | 25.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 341 | T | 52.4 | Low | 47.8 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 73% | 0.73 | 75% | 0.753 | S | S | * | * | trans | 60.5 | 97.5 | 153.6 | 51.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 342 | S | 49.1 | Very low | 47.3 | Very low | 95 Ų | 95 | 138.5 Ų | 138.5 | 66% | 0.664 | 75% | 0.751 | S | S | * | * | 16.1 | 111.6 | 122.4 | 54.4 | 0 | 0 | 0 | 0 | 118 | |||||
| 343 | E | 53 | Low | 46.7 | Very low | 176 Ų | 176 | 138.9 Ų | 138.9 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | -159.7 | 159.9 | 96.5 | -87.3 | -43 | 128.3 | 0 | 0 | 110 | |||||
| 344 | L | 44.5 | Very low | 46 | Very low | 137 Ų | 137 | 146.3 Ų | 146.3 | 72% | 0.717 | 77% | 0.771 | S | S | * | * | trans | -107.2 | 142.7 | 173.4 | -93 | 163.7 | 0 | 0 | 0 | 110.2 | L346 | L344-L346 HydrophobicContact CD2-CD2 4.4Š| ||
| 345 | P | 46.1 | Very low | 45.5 | Very low | 126 Ų | 126 | 144 Ų | 144 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | -129 | 161.4 | 109.3 | 4.3 | 16.8 | 0 | 0 | 0 | 113.7 | |||||
| 346 | L | 43.7 | Very low | 45.1 | Very low | 160 Ų | 160 | 142.4 Ų | 142.4 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | trans | -89.6 | 129.1 | 173.6 | -63 | 166.5 | 0 | 0 | 0 | 110.3 | L344 | L344-L346 HydrophobicContact CD2-CD2 4.4Š| ||
| 347 | E | 42.8 | Very low | 44.7 | Very low | 182 Ų | 182 | 141.8 Ų | 141.8 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | trans | -143 | 140.8 | 145.6 | -152.1 | 175 | -144.6 | 0 | 0 | 111 | ||||
| 348 | L | 39.2 | Very low | 44.4 | Very low | 170 Ų | 170 | 141.4 Ų | 141.4 | 89% | 0.89 | 77% | 0.772 | S | S | * | * | trans | -102.8 | 105.8 | -173.2 | -91.1 | 159.7 | 0 | 0 | 0 | 110.2 | ||||
| 349 | V | 47.3 | Very low | 44.3 | Very low | 125 Ų | 125 | 144.7 Ų | 144.7 | 76% | 0.758 | 78% | 0.779 | S | S | * | * | trans | -123.2 | 120.7 | 174.4 | -172.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 350 | L | 43.6 | Very low | 43.8 | Very low | 148 Ų | 148 | 141.1 Ų | 141.1 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | trans | -51.3 | 157.7 | 169 | -84.2 | 58.5 | 0 | 0 | 0 | 111.2 | ||||
| 351 | C | 38.9 | Very low | 43.9 | Very low | 107 Ų | 107 | 140.3 Ų | 140.3 | 72% | 0.723 | 78% | 0.78 | S | S | * | * | cis | -173.5 | -169 | 13 | -119.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 352 | P | 47.5 | Very low | 43.4 | Very low | 109 Ų | 109 | 146.5 Ų | 146.5 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | cis | -128.9 | 176.3 | -40 | 35.8 | -20.5 | 0 | 0 | 0 | 112.4 | R354 | P352-R354 PolarHBondContact O-N 3.01Š| ||
| 353 | T | 39.3 | Very low | 42.9 | Very low | 125 Ų | 125 | 149.9 Ų | 149.9 | 77% | 0.767 | 80% | 0.8 | S | S | * | * | trans | -62.8 | 124 | 166 | 46.3 | 0 | 0 | 0 | 0 | 112.3 | S355 | T353-S355 PolarHBondContact O-N 3.07Š| ||
| 354 | R | 42.4 | Very low | 42.5 | Very low | 255 Ų | 255 | 147.6 Ų | 147.6 | 96% | 0.962 | 80% | 0.798 | S | S | * | * | trans | -90.6 | 67.4 | 176 | -161.8 | 178 | -174.8 | -179.3 | 2.3 | 112.8 | P352 | P352-R354 PolarHBondContact O-N 3.01Š| ||
| 355 | S | 42.9 | Very low | 42.5 | Very low | 81 Ų | 81 | 152.3 Ų | 152.3 | 57% | 0.566 | 81% | 0.806 | S | S | * | * | trans | -103.5 | 158.8 | 161.2 | 49.8 | 0 | 0 | 0 | 0 | 110.4 | T353 | T353-S355 PolarHBondContact O-N 3.07Š| ||
| 356 | N | 40.7 | Very low | 42.4 | Very low | 128 Ų | 128 | 152.5 Ų | 152.5 | 68% | 0.684 | 81% | 0.805 | S | S | * | * | trans | 66.3 | 103 | 171.4 | -59.3 | -8.5 | 0 | 0 | 0 | 118 | F358 | N356-F358 HydrophobicContact CB-CD2 4Š| ||
| 357 | C | 41.1 | Very low | 42.4 | Very low | 138 Ų | 138 | 149.5 Ų | 149.5 | 93% | 0.932 | 80% | 0.797 | S | S | * | * | trans | -90 | 93.2 | 140.4 | 46.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 358 | F | 40.9 | Very low | 42.6 | Very low | 168 Ų | 168 | 149.9 Ų | 149.9 | 74% | 0.737 | 80% | 0.796 | S | S | * | * | trans | -90.2 | 131.3 | 166.2 | -101.1 | -79.3 | 0 | 0 | 0 | 109.5 | N356 | N356-F358 HydrophobicContact CB-CD2 4Š| ||
| 359 | Q | 45.1 | Very low | 42.8 | Very low | 197 Ų | 197 | 147.9 Ų | 147.9 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | trans | -99.2 | 139.9 | 145 | -84.3 | -176 | -36.5 | 0 | 0 | 107.6 | ||||
| 360 | A | 36.5 | Very low | 42.7 | Very low | 93 Ų | 93 | 147.6 Ų | 147.6 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -134 | 147.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 361 | S | 44.1 | Very low | 42.7 | Very low | 107 Ų | 107 | 145.3 Ų | 145.3 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | -154.1 | 106.7 | 168.5 | 59.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 362 | R | 42.2 | Very low | 43.1 | Very low | 249 Ų | 249 | 148 Ų | 148 | 94% | 0.94 | 78% | 0.783 | S | S | * | * | trans | 85.1 | 148.8 | 147.8 | -57.2 | 177.3 | -178.1 | -133.5 | -3.4 | 119.2 | ||||
| 363 | L | 39.2 | Very low | 42.8 | Very low | 167 Ų | 167 | 147.7 Ų | 147.7 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | -105.5 | 156.9 | -172.1 | -59.4 | 146.9 | 0 | 0 | 0 | 108.8 | ||||
| 364 | T | 45.5 | Very low | 43.1 | Very low | 127 Ų | 127 | 150.6 Ų | 150.6 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | -163.4 | -162.9 | 60.1 | 49.3 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 365 | R | 43.4 | Very low | 43.1 | Very low | 236 Ų | 236 | 145.4 Ų | 145.4 | 89% | 0.891 | 78% | 0.775 | S | S | * | * | cis | -156.4 | 176.8 | 12.1 | -150.2 | 167.5 | -178.2 | -179 | 0.7 | 112.5 | ||||
| 366 | V | 44.3 | Very low | 43 | Very low | 131 Ų | 131 | 150.8 Ų | 150.8 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | -95.6 | 153 | -176.9 | 167.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 367 | S | 43.5 | Very low | 43.1 | Very low | 96 Ų | 96 | 150.9 Ų | 150.9 | 67% | 0.671 | 80% | 0.796 | S | S | * | * | cis | -176.7 | 171.9 | -28.2 | 72.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 368 | K | 46.9 | Very low | 42.9 | Very low | 191 Ų | 191 | 155.5 Ų | 155.5 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | trans | -174.4 | 127.6 | 155 | -102.5 | 158.2 | -175.5 | -175.3 | 0 | 110.1 | ||||
| 369 | V | 44.3 | Very low | 43.2 | Very low | 127 Ų | 127 | 155.2 Ų | 155.2 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | 84.6 | 127.6 | 71.8 | 161.7 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 370 | V | 44 | Very low | 42.9 | Very low | 120 Ų | 120 | 150.8 Ų | 150.8 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | cis | -158.4 | 160.3 | 5.6 | 109 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 371 | T | 44.3 | Very low | 43.3 | Very low | 99 Ų | 99 | 153.7 Ų | 153.7 | 61% | 0.607 | 79% | 0.787 | S | S | * | * | trans | 6 | 136.5 | 153.5 | -35.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 372 | Q | 46.6 | Very low | 43.3 | Very low | 165 Ų | 165 | 156.3 Ų | 156.3 | 77% | 0.771 | 79% | 0.791 | S | S | * | * | -164 | 140.5 | 83.2 | -82.6 | -79.2 | 17.6 | 0 | 0 | 114.3 | |||||
| 373 | P | 43 | Very low | 43 | Very low | 102 Ų | 102 | 148.4 Ų | 148.4 | 66% | 0.662 | 78% | 0.779 | S | S | * | * | trans | -130.6 | 143.6 | 172.5 | 38.9 | -25.1 | 0 | 0 | 0 | 115.9 | ||||
| 374 | F | 45.3 | Very low | 43.7 | Very low | 186 Ų | 186 | 146.6 Ų | 146.6 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | trans | -150.6 | 116.9 | 169.4 | -102.2 | -78.2 | 0 | 0 | 0 | 117.4 | ||||
| 375 | N | 41.7 | Very low | 43.4 | Very low | 146 Ų | 146 | 147 Ų | 147 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | trans | 56.2 | 157.4 | 143.4 | -81 | -25.8 | 0 | 0 | 0 | 127.4 | ||||
| 376 | K | 40 | Very low | 43.4 | Very low | 194 Ų | 194 | 143.5 Ų | 143.5 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | trans | -97.6 | -179.5 | -173.6 | -78.1 | 170.5 | -178.6 | 169 | 0 | 110.8 | ||||
| 377 | P | 42.8 | Very low | 43.3 | Very low | 130 Ų | 130 | 145.2 Ų | 145.2 | 84% | 0.844 | 77% | 0.772 | S | S | * | * | cis | -146.4 | -165 | 28.1 | 43.8 | -20.8 | 0 | 0 | 0 | 118.5 | ||||
| 378 | R | 38 | Very low | 43 | Very low | 235 Ų | 235 | 146.1 Ų | 146.1 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | trans | -77.5 | 151.7 | -177 | -63.3 | 172.9 | 171.7 | 168.2 | -5.2 | 113.8 | ||||
| 379 | I | 46.6 | Very low | 42.7 | Very low | 162 Ų | 162 | 147.1 Ų | 147.1 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | trans | -136.9 | 126.6 | 148.3 | -58.6 | 178.8 | 0 | 0 | 0 | 108.5 | ||||
| 380 | P | 38.9 | Very low | 42.3 | Very low | 103 Ų | 103 | 150 Ų | 150 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | trans | -95.7 | 159.3 | 162 | 37.4 | -31.4 | 0 | 0 | 0 | 110.9 | ||||
| 381 | I | 45.8 | Very low | 42.1 | Very low | 154 Ų | 154 | 151.9 Ų | 151.9 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | 170.2 | 139.4 | 145.1 | -96.1 | 158.1 | 0 | 0 | 0 | 113.6 | ||||
| 382 | I | 42.3 | Very low | 42 | Very low | 163 Ų | 163 | 153.5 Ų | 153.5 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | trans | 59.4 | 140.4 | 160.7 | -72.2 | 165.1 | 0 | 0 | 0 | 120.1 | ||||
| 383 | A | 36.9 | Very low | 41.6 | Very low | 82 Ų | 82 | 154 Ų | 154 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | trans | -121.9 | 149.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 384 | P | 52.7 | Low | 41.4 | Very low | 129 Ų | 129 | 155.7 Ų | 155.7 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | -92 | 120 | 175.7 | 33.3 | -30.5 | 0 | 0 | 0 | 112.4 | ||||
| 385 | T | 40 | Very low | 41.2 | Very low | 137 Ų | 137 | 156.9 Ų | 156.9 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | trans | -92.8 | 109.4 | 171 | 50.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 386 | M | 44.4 | Very low | 41.1 | Very low | 162 Ų | 162 | 156.9 Ų | 156.9 | 80% | 0.798 | 80% | 0.803 | S | S | * | * | trans | -156.9 | 143.3 | 171.3 | -81.5 | -140.8 | 136.4 | 0 | 0 | 109.3 | ||||
| 387 | K | 42.1 | Very low | 41.1 | Very low | 166 Ų | 166 | 155.7 Ų | 155.7 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | cis | -142.6 | 143.4 | -3.5 | -103 | 165.3 | 179.1 | 175.3 | 0 | 107.8 | ||||
| 388 | S | 37.5 | Very low | 40.8 | Very low | 116 Ų | 116 | 157.6 Ų | 157.6 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | -73.4 | 152.2 | 156.4 | 43.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 389 | Y | 40.4 | Very low | 41 | Very low | 211 Ų | 211 | 152.2 Ų | 152.2 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | -128.3 | 103.5 | 169.2 | 43.5 | -90.5 | 0 | 0 | 0 | 109 | ||||
| 390 | E | 34.3 | Very low | 40.6 | Very low | 187 Ų | 187 | 151.8 Ų | 151.8 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -83.3 | 137.1 | 161.7 | -64 | -175.6 | 153.7 | 0 | 0 | 108.2 | ||||
| 391 | I | 41.6 | Very low | 40.7 | Very low | 160 Ų | 160 | 154.3 Ų | 154.3 | 82% | 0.821 | 79% | 0.793 | S | S | * | * | trans | -126 | 134.3 | 165 | -68.1 | -175.9 | 0 | 0 | 0 | 108 | ||||
| 392 | T | 41.7 | Very low | 40.5 | Very low | 133 Ų | 133 | 155.5 Ų | 155.5 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | trans | -72.3 | 155.7 | -159.7 | -44.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 393 | Q | 37.2 | Very low | 40.4 | Very low | 176 Ų | 176 | 154.4 Ų | 154.4 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | -53.8 | 135.5 | 171.5 | -58 | 173.9 | -2.4 | 0 | 0 | 113.5 | ||||
| 394 | N | 39.6 | Very low | 40.6 | Very low | 138 Ų | 138 | 159.8 Ų | 159.8 | 74% | 0.738 | 80% | 0.804 | S | S | * | * | trans | -154 | 109.2 | 141.4 | -94.3 | -53.5 | 0 | 0 | 0 | 106.9 | ||||
| 395 | R | 40 | Very low | 40 | Very low | 211 Ų | 211 | 161.3 Ų | 161.3 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | 78.3 | 111.1 | 88.7 | -94.2 | -175 | 167.7 | 143.9 | -4.2 | 114 | |||||
| 396 | N | 39.9 | Very low | 40 | Very low | 146 Ų | 146 | 160.3 Ų | 160.3 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | trans | 58.6 | 113.1 | 146.8 | -53.1 | 1.6 | 0 | 0 | 0 | 118.5 | ||||
| 397 | M | 40.1 | Very low | 39.9 | Very low | 168 Ų | 168 | 159.5 Ų | 159.5 | 83% | 0.828 | 79% | 0.788 | S | S | * | * | -159.5 | 145.3 | 107.7 | -106.4 | -177.6 | 81.6 | 0 | 0 | 112.7 | |||||
| 398 | F | 37.5 | Very low | 39.7 | Very low | 170 Ų | 170 | 156 Ų | 156 | 75% | 0.746 | 78% | 0.782 | S | S | * | * | trans | 53 | 106.1 | 163.4 | -87.2 | -100.2 | 0 | 0 | 0 | 120.8 | ||||
| 399 | V | 40.5 | Very low | 39.7 | Very low | 122 Ų | 122 | 159.4 Ų | 159.4 | 74% | 0.739 | 78% | 0.782 | S | S | * | * | trans | -68.7 | 140.8 | 148.9 | 179.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 400 | N | 39.8 | Very low | 39.5 | Very low | 154 Ų | 154 | 156.4 Ų | 156.4 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | -149.9 | 86.8 | 148.9 | -108.1 | -6.1 | 0 | 0 | 0 | 109.7 | ||||
| 401 | E | 40.2 | Very low | 39.6 | Very low | 156 Ų | 156 | 154.6 Ų | 154.6 | 73% | 0.729 | 77% | 0.774 | S | S | * | * | trans | -21.8 | 121.5 | 155.1 | 179.3 | 171.7 | -151.1 | 0 | 0 | 116.3 | ||||
| 402 | M | 41.9 | Very low | 39.3 | Very low | 178 Ų | 178 | 152 Ų | 152 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | -164.1 | 156.6 | 118.7 | -110.7 | -177 | -80.9 | 0 | 0 | 112.4 | |||||
| 403 | N | 39 | Very low | 39 | Very low | 140 Ų | 140 | 150.6 Ų | 150.6 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | trans | -83.8 | 136.7 | -164.8 | -65.7 | -75.8 | 0 | 0 | 0 | 113.8 | ||||
| 404 | H | 42 | Very low | 39.1 | Very low | 196 Ų | 196 | 149.8 Ų | 149.8 | 91% | 0.907 | 76% | 0.757 | S | S | * | * | -155.7 | 144.1 | 117.1 | -106.4 | -67.9 | 0 | 0 | 0 | 111.8 | |||||
| 405 | K | 39.6 | Very low | 39 | Very low | 160 Ų | 160 | 150 Ų | 150 | 70% | 0.696 | 76% | 0.756 | S | S | * | * | trans | -100.5 | 135.8 | -168 | -173.3 | -168.1 | 179 | -137.5 | 0 | 111.1 | E407 | K405-E407 IonicContact NZ-OE1 2.83Å; K405-E407 PolarHBondContact NZ-OE1 2.75Å | ||
| 406 | P | 41.6 | Very low | 39 | Very low | 117 Ų | 117 | 147.3 Ų | 147.3 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | trans | -84.5 | 133.5 | 173.8 | 32.7 | -32.4 | 0 | 0 | 0 | 111.8 | ||||
| 407 | E | 41.5 | Very low | 38.8 | Very low | 145 Ų | 145 | 147.2 Ų | 147.2 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | trans | -104.3 | 134 | 167.8 | -74.7 | -63.1 | 148.9 | 0 | 0 | 110.3 | K405 | K405-E407 IonicContact NZ-OE1 2.83Å; K405-E407 PolarHBondContact NZ-OE1 2.75Å | ||
| 408 | P | 38.5 | Very low | 38.8 | Very low | 92 Ų | 92 | 147.5 Ų | 147.5 | 60% | 0.597 | 76% | 0.755 | S | S | * | * | trans | -107.9 | 164.3 | -175.2 | 40.8 | -35.4 | 0 | 0 | 0 | 114.2 | ||||
| 409 | F | 37.2 | Very low | 39.1 | Very low | 187 Ų | 187 | 145.2 Ų | 145.2 | 82% | 0.82 | 76% | 0.757 | S | S | * | * | trans | 65.4 | 156.8 | -178.8 | -66.6 | -93.4 | 0 | 0 | 0 | 113.1 | ||||
| 410 | I | 36.4 | Very low | 38.9 | Very low | 148 Ų | 148 | 147.3 Ų | 147.3 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | cis | -123.6 | 151.5 | 23.6 | -71.9 | 168.9 | 0 | 0 | 0 | 112.5 | ||||
| 411 | I | 35.6 | Very low | 38.8 | Very low | 149 Ų | 149 | 145.4 Ų | 145.4 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | trans | -79.8 | 114.2 | 171.6 | -61.6 | 163.4 | 0 | 0 | 0 | 110 | ||||
| 412 | T | 35.9 | Very low | 38.6 | Very low | 106 Ų | 106 | 145 Ų | 145 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | trans | -130.2 | 100.6 | 164.8 | -51.9 | 0 | 0 | 0 | 0 | 110.9 | Q414 | T412-Q414 HydrophobicContact CG2-CG 4.11Å; T412-Q414 PolarHBondContact O-N 2.93Å; T412-Q414 VanDerWaalsContact O-N 3.08Å | ||
| 413 | S | 33.9 | Very low | 38.4 | Very low | 104 Ų | 104 | 146.2 Ų | 146.2 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | -79.4 | 80.3 | 174.5 | 169.8 | 0 | 0 | 0 | 0 | 111.3 | M415 | S413-M415 PolarHBondContact O-N 3.49Š| ||
| 414 | Q | 40.5 | Very low | 38.3 | Very low | 159 Ų | 159 | 147.4 Ų | 147.4 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | -88.7 | 100.3 | 165.2 | -78 | -170.9 | 3.5 | 0 | 0 | 110.9 | T412 N416 | T412-Q414 HydrophobicContact CG2-CG 4.11Å; T412-Q414 PolarHBondContact O-N 2.93Å; T412-Q414 VanDerWaalsContact O-N 3.08Å; Q414-N416 PolarHBondContact O-N 2.77Å | ||
| 415 | M | 37.3 | Very low | 38.3 | Very low | 142 Ų | 142 | 145.7 Ų | 145.7 | 70% | 0.7 | 76% | 0.763 | S | S | * | * | trans | -74.1 | 110.5 | 157 | -68.7 | -172.5 | -178.1 | 0 | 0 | 108 | S413 M417 | S413-M415 PolarHBondContact O-N 3.49Å; M415-M417 HydrophobicContact CB-CE 4.35Å; M415-M417 HydrophobicContact CB-CG 4.22Å; M415-M417 PolarHBondContact O-N 3.3Å; M415-M417 HydrophobicContact SD-CE 3.65Å | ||
| 416 | N | 39.2 | Very low | 38.7 | Very low | 154 Ų | 154 | 143.1 Ų | 143.1 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | trans | -70.4 | 74.5 | 164.8 | -88.5 | 0.3 | 0 | 0 | 0 | 110.1 | Q414 M418 | Q414-N416 PolarHBondContact O-N 2.77Å; N416-M418 PolarHBondContact O-N 2.64Å | ||
| 417 | M | 37.4 | Very low | 38.4 | Very low | 145 Ų | 145 | 145.1 Ų | 145.1 | 71% | 0.714 | 77% | 0.767 | S | S | * | * | trans | -71.5 | 115.9 | 159.9 | -67.5 | -69.7 | 169.6 | 0 | 0 | 107.2 | M415 | M415-M417 HydrophobicContact CB-CE 4.35Å; M415-M417 HydrophobicContact CB-CG 4.22Å; M415-M417 PolarHBondContact O-N 3.3Å; M415-M417 HydrophobicContact SD-CE 3.65Å | ||
| 418 | M | 38.5 | Very low | 38.2 | Very low | 173 Ų | 173 | 145.9 Ų | 145.9 | 85% | 0.852 | 77% | 0.774 | S | S | * | * | trans | -57.4 | 131.4 | 172.6 | -64.2 | 172.8 | 73.3 | 0 | 0 | 109.3 | N416 M420 | N416-M418 PolarHBondContact O-N 2.64Å; M418-M420 PolarHBondContact O-N 2.79Å; M418-M420 VanDerWaalsContact O-N 3.09Å | ||
| 419 | P | 43.7 | Very low | 37.9 | Very low | 122 Ų | 122 | 147.2 Ų | 147.2 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | trans | -69.6 | 110 | -178.8 | 27.2 | -33.4 | 0 | 0 | 0 | 110.2 | S421 | P419-S421 PolarHBondContact O-N 3.49Š| ||
| 420 | M | 37 | Very low | 37.8 | Very low | 167 Ų | 167 | 144.4 Ų | 144.4 | 82% | 0.823 | 78% | 0.782 | S | S | * | * | trans | -68.9 | 97.2 | 163.8 | -75.5 | -73.9 | -64.3 | 0 | 0 | 108.3 | M418 N422 | M418-M420 PolarHBondContact O-N 2.79Å; M418-M420 VanDerWaalsContact O-N 3.09Å; M420-N422 PolarHBondContact O-N 3.38Å | ||
| 421 | S | 37.3 | Very low | 37.7 | Very low | 114 Ų | 114 | 142 Ų | 142 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | -71.3 | 88.9 | 176 | 44.4 | 0 | 0 | 0 | 0 | 110.6 | P419 K423 | P419-S421 PolarHBondContact O-N 3.49Å; S421-K423 PolarHBondContact O-N 3.4Å | ||
| 422 | N | 35.7 | Very low | 37.7 | Very low | 147 Ų | 147 | 140.1 Ų | 140.1 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | trans | -61.2 | 96.2 | 171.2 | -68.5 | -26.2 | 0 | 0 | 0 | 109.8 | M420 L424 | M420-N422 PolarHBondContact O-N 3.38Å; N422-L424 PolarHBondContact O-N 2.97Å | ||
| 423 | K | 39.7 | Very low | 37.6 | Very low | 203 Ų | 203 | 142.8 Ų | 142.8 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 122.5 | 166.2 | -115 | -176.5 | 179.1 | -177.3 | 0 | 108.8 | S421 | S421-K423 PolarHBondContact O-N 3.4Š|
| 424 | L | 36.8 | Very low | 37.6 | Very low | 166 Ų | 166 | 144.6 Ų | 144.6 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 130.1 | -175.2 | -154.6 | 74.8 | 0 | 0 | 0 | 110.2 | N422 | N422-L424 PolarHBondContact O-N 2.97Š|
| 425 | M | 41 | Very low | 37.4 | Very low | 159 Ų | 159 | 143.9 Ų | 143.9 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 122.5 | 164.3 | -71 | -126.8 | 68.9 | 0 | 0 | 108.7 | N427 | M425-N427 PolarHBondContact O-N 3.29Š|
| 426 | P | 48.5 | Very low | 37.5 | Very low | 107 Ų | 107 | 145 Ų | 145 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 121.3 | 172.5 | 30.4 | -31.3 | 0 | 0 | 0 | 109.7 | ||
| 427 | N | 35.6 | Very low | 37.7 | Very low | 159 Ų | 159 | 141.5 Ų | 141.5 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 122.7 | 168.8 | -65.8 | -43.9 | 0 | 0 | 0 | 109.3 | M425 | M425-N427 PolarHBondContact O-N 3.29Š|
| 428 | I | 37.7 | Very low | 37.8 | Very low | 161 Ų | 161 | 141.3 Ų | 141.3 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | trans | -127 | 130.2 | 156.9 | -61.6 | -177.4 | 0 | 0 | 0 | 106.8 | ||||
| 429 | C | 30.4 | Very low | 38 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -125.9 | 106.7 | -170.7 | -178.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 430 | T | 36.2 | Very low | 37.7 | Very low | 128 Ų | 128 | 140.1 Ų | 140.1 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | -157.8 | 121 | 159.4 | 26.4 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 431 | S | 33.9 | Very low | 37.8 | Very low | 97 Ų | 97 | 137.4 Ų | 137.4 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | cis | 104.6 | 99.9 | 32.4 | -179.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 432 | V | 34.7 | Very low | 37.8 | Very low | 110 Ų | 110 | 136.3 Ų | 136.3 | 67% | 0.667 | 77% | 0.767 | S | S | * | * | trans | 81.6 | 139 | 140.8 | 172.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 433 | Q | 35.8 | Very low | 37.7 | Very low | 162 Ų | 162 | 139.5 Ų | 139.5 | 76% | 0.757 | 77% | 0.769 | S | S | * | * | trans | 66.6 | 115.2 | 166.4 | -77 | 147.3 | 5.1 | 0 | 0 | 116.7 | ||||
| 434 | N | 32.4 | Very low | 37.6 | Very low | 143 Ų | 143 | 135.8 Ų | 135.8 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | 71.8 | 111 | 69.6 | -66 | -0.9 | 0 | 0 | 0 | 112.8 | |||||
| 435 | L | 36 | Very low | 37.4 | Very low | 143 Ų | 143 | 136.9 Ų | 136.9 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | -175.3 | 138.9 | 115.7 | -119.1 | 72.4 | 0 | 0 | 0 | 111.7 | |||||
| 436 | M | 39.7 | Very low | 37 | Very low | 166 Ų | 166 | 134.6 Ų | 134.6 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | 47.2 | 134.9 | 140.6 | -66.5 | 170.3 | -173.3 | 0 | 0 | 123.4 | ||||
| 437 | A | 43.1 | Very low | 36.5 | Very low | 80 Ų | 80 | 135.9 Ų | 135.9 | 66% | 0.661 | 76% | 0.764 | S | S | * | * | trans | 79.9 | 140.5 | 130.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 438 | D | 40.5 | Very low | 36.4 | Very low | 142 Ų | 142 | 135 Ų | 135 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | cis | -160.9 | 179.3 | -9 | -103.6 | -23.4 | 0 | 0 | 0 | 110.2 | ||||
| 439 | N | 42 | Very low | 36.4 | Very low | 127 Ų | 127 | 134 Ų | 134 | 68% | 0.679 | 76% | 0.762 | S | S | * | * | trans | 86.9 | 93.7 | 154.1 | -60.8 | -57.2 | 0 | 0 | 0 | 121.5 | ||||
| 440 | N | 38.3 | Very low | 36.7 | Very low | 143 Ų | 143 | 136.2 Ų | 136.2 | 77% | 0.765 | 76% | 0.763 | S | S | * | * | 82.4 | 149.1 | 114.9 | -57 | -24.3 | 0 | 0 | 0 | 123 | |||||
| 441 | S | 38.6 | Very low | 36.5 | Very low | 110 Ų | 110 | 139.6 Ų | 139.6 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | 64.3 | 105.7 | 169.2 | -153.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 442 | A | 38.5 | Very low | 36.6 | Very low | 91 Ų | 91 | 142 Ų | 142 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | 62.8 | 131.4 | 62.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 443 | Y | 32.7 | Very low | 36.9 | Very low | 214 Ų | 214 | 139.6 Ų | 139.6 | 84% | 0.839 | 76% | 0.755 | S | S | * | * | cis | -160.5 | 174.8 | 2.9 | -168.6 | -124.2 | 0 | 0 | 0 | 109.5 | ||||
| 444 | L | 37 | Very low | 36.8 | Very low | 124 Ų | 124 | 142 Ų | 142 | 65% | 0.649 | 76% | 0.759 | S | S | * | * | trans | 62.6 | 95.5 | 171.2 | -79.6 | 158.3 | 0 | 0 | 0 | 119.6 | ||||
| 445 | Q | 33.5 | Very low | 37 | Very low | 189 Ų | 189 | 144.9 Ų | 144.9 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | trans | 29.5 | 109.9 | 132.5 | -67.4 | 173.2 | -38.2 | 0 | 0 | 119.8 | ||||
| 446 | S | 33.2 | Very low | 36.9 | Very low | 111 Ų | 111 | 144.4 Ų | 144.4 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | -109.6 | 128.2 | 167.5 | -51.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 447 | T | 37.1 | Very low | 36.6 | Very low | 134 Ų | 134 | 145 Ų | 145 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | 37.6 | 146 | 135.2 | 60.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 448 | D | 32.9 | Very low | 36.2 | Very low | 142 Ų | 142 | 149.4 Ų | 149.4 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -60.8 | 174 | 171.7 | -53.8 | -94.4 | 0 | 0 | 0 | 117.3 | ||
| 449 | T | 37.3 | Very low | 35.7 | Very low | 140 Ų | 140 | 147.8 Ų | 147.8 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | trans | 63.5 | 95.5 | 154.9 | 49.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 450 | I | 36.6 | Very low | 35.3 | Very low | 164 Ų | 164 | 147.4 Ų | 147.4 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | trans | -143.7 | 134.3 | 157.6 | -43.6 | 178.5 | 0 | 0 | 0 | 104.8 | ||||
| 451 | Y | 32.5 | Very low | 35 | Very low | 200 Ų | 200 | 146.2 Ų | 146.2 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | cis | -153 | 142.1 | 27.2 | -160.3 | -148.7 | 0 | 0 | 0 | 111.8 | P453 | Y451-P453 HydrophobicContact CD1-CB 3.96Å; Y451-P453 HydrophobicContact CD1-CG 4.22Å; Y451-P453 HydrophobicContact CE1-CB 3.49Å; Y451-P453 VanDerWaalsContact CE1-CB 3.49Å; Y451-P453 HydrophobicContact CE1-CG 4.08Å; Y451-P453 HydrophobicContact CE2-CB 4.09Å; Y451-P453 HydrophobicContact CG-CB 4.45Å | ||
| 452 | D | 37.3 | Very low | 34.7 | Very low | 146 Ų | 146 | 151.3 Ų | 151.3 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | trans | -134.9 | 116.5 | 158.9 | -176.8 | 15.2 | 0 | 0 | 0 | 109.4 | ||||
| 453 | P | 40.8 | Very low | 34.4 | Very low | 60 Ų | 60 | 154.2 Ų | 154.2 | 39% | 0.39 | 80% | 0.796 | S | S | . | * | trans | -115 | 52.7 | -156.5 | 43.2 | -37.7 | 0 | 0 | 0 | 116.8 | Y451 | Y451-P453 HydrophobicContact CD1-CB 3.96Å; Y451-P453 HydrophobicContact CD1-CG 4.22Å; Y451-P453 HydrophobicContact CE1-CB 3.49Å; Y451-P453 VanDerWaalsContact CE1-CB 3.49Å; Y451-P453 HydrophobicContact CE1-CG 4.08Å; Y451-P453 HydrophobicContact CE2-CB 4.09Å; Y451-P453 HydrophobicContact CG-CB 4.45Å | ||
| 454 | Y | 33 | Very low | 34.5 | Very low | 212 Ų | 212 | 152.1 Ų | 152.1 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | trans | -136.8 | 41.6 | 178.9 | -73.5 | -71.1 | 0 | 0 | 0 | 117.4 | ||||
| 455 | K | 35.9 | Very low | 34.2 | Very low | 204 Ų | 204 | 152.2 Ų | 152.2 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | trans | -159.5 | 89.8 | 163.8 | -132 | 177.9 | -173 | -178.5 | 0 | 118.5 | ||||
| 456 | T | 34.8 | Very low | 34.4 | Very low | 133 Ų | 133 | 148.7 Ų | 148.7 | 82% | 0.816 | 79% | 0.786 | S | S | * | * | trans | -160.4 | 113.2 | 144.6 | 16.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 457 | Q | 33.6 | Very low | 34.4 | Very low | 179 Ų | 179 | 148.7 Ų | 148.7 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | 55.7 | 108.7 | 95.3 | -69.3 | -145.2 | 61.7 | 0 | 0 | 115.1 | |||||
| 458 | L | 33.9 | Very low | 34.3 | Very low | 173 Ų | 173 | 149.8 Ų | 149.8 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | -156.8 | 130 | 114.3 | -107.5 | 167.8 | 0 | 0 | 0 | 109.6 | |||||
| 459 | S | 29.7 | Very low | 34.2 | Very low | 108 Ų | 108 | 150.1 Ų | 150.1 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | -107.6 | 128.4 | 172.3 | 178.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 460 | S | 33.2 | Very low | 34.3 | Very low | 118 Ų | 118 | 150.8 Ų | 150.8 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | trans | -156.4 | 142.8 | 151.2 | 55.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 461 | T | 32.1 | Very low | 34.2 | Very low | 118 Ų | 118 | 148.5 Ų | 148.5 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | trans | -88.9 | 145.7 | -177.2 | 49.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 462 | F | 34 | Very low | 34.2 | Very low | 218 Ų | 218 | 145 Ų | 145 | 96% | 0.956 | 75% | 0.751 | S | S | * | * | trans | -144.7 | 146.4 | 144.6 | -109.4 | -77.7 | 0 | 0 | 0 | 111.4 | ||||
| 463 | L | 31.3 | Very low | 34.1 | Very low | 152 Ų | 152 | 143.6 Ų | 143.6 | 80% | 0.796 | 75% | 0.748 | S | S | * | * | trans | -115.8 | 137.9 | -169.4 | -70.3 | 164.1 | 0 | 0 | 0 | 111.5 | ||||
| 464 | H | 35.5 | Very low | 33.8 | Very low | 169 Ų | 169 | 147 Ų | 147 | 78% | 0.782 | 76% | 0.763 | S | S | * | * | trans | -167.4 | 135.7 | 130.9 | -104.3 | 59.9 | 0 | 0 | 0 | 107.7 | ||||
| 465 | N | 30.2 | Very low | 33.8 | Very low | 126 Ų | 126 | 147 Ų | 147 | 67% | 0.674 | 76% | 0.763 | S | S | * | * | 58.5 | 131.3 | 67.9 | -118.8 | -6.8 | 0 | 0 | 0 | 111.5 | |||||
| 466 | V | 37.7 | Very low | 34 | Very low | 115 Ų | 115 | 142.7 Ų | 142.7 | 70% | 0.697 | 76% | 0.756 | S | S | * | * | cis | -148.6 | 150.4 | 43.6 | 169.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 467 | N | 32.3 | Very low | 34 | Very low | 111 Ų | 111 | 143.9 Ų | 143.9 | 59% | 0.594 | 76% | 0.757 | S | S | * | * | trans | -9.4 | 140.7 | 161.2 | -53.6 | -32 | 0 | 0 | 0 | 122.2 | ||||
| 468 | N | 35 | Very low | 34.2 | Very low | 158 Ų | 158 | 144 Ų | 144 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | -174.2 | 103.7 | 118.9 | -90.2 | -24.2 | 0 | 0 | 0 | 108.1 | |||||
| 469 | Q | 31.9 | Very low | 34.3 | Very low | 148 Ų | 148 | 144.3 Ų | 144.3 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | 72.3 | 138.3 | 68.5 | -77.4 | -133.9 | 8.8 | 0 | 0 | 116.2 | |||||
| 470 | H | 38.5 | Very low | 34.6 | Very low | 154 Ų | 154 | 146 Ų | 146 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | trans | 73.3 | 137.9 | 178.8 | -61.8 | 29.3 | 0 | 0 | 0 | 115.1 | ||||
| 471 | N | 34.3 | Very low | 34.7 | Very low | 117 Ų | 117 | 149.9 Ų | 149.9 | 63% | 0.626 | 75% | 0.75 | S | S | * | * | cis | -159.5 | 138.5 | -1.7 | -110.8 | -7.9 | 0 | 0 | 0 | 114.5 | ||||
| 472 | I | 34.3 | Very low | 34.9 | Very low | 127 Ų | 127 | 154 Ų | 154 | 65% | 0.651 | 75% | 0.753 | S | S | * | * | trans | 74.5 | 124.3 | 132.5 | -63.8 | 171.6 | 0 | 0 | 0 | 122.1 | ||||
| 473 | T | 35.2 | Very low | 35.1 | Very low | 116 Ų | 116 | 148.7 Ų | 148.7 | 71% | 0.712 | 74% | 0.739 | S | S | * | * | trans | 68.8 | 150.6 | 156.3 | 61.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 474 | N | 34.7 | Very low | 35.3 | Very low | 130 Ų | 130 | 148 Ų | 148 | 70% | 0.695 | 74% | 0.736 | S | S | * | * | cis | -163.1 | 134.8 | -11.3 | -111.2 | -3.9 | 0 | 0 | 0 | 113.7 | ||||
| 475 | Y | 32.9 | Very low | 35.3 | Very low | 213 Ų | 213 | 148.9 Ų | 148.9 | 84% | 0.835 | 74% | 0.738 | S | S | * | * | trans | 61 | 162.4 | 143 | -86.6 | -95.9 | 0 | 0 | 0 | 120.4 | ||||
| 476 | P | 39.5 | Very low | 35.6 | Very low | 114 Ų | 114 | 149 Ų | 149 | 74% | 0.74 | 74% | 0.739 | S | S | * | * | -137.8 | -162.5 | -116.7 | 44.1 | -22.5 | 0 | 0 | 0 | 116.5 | |||||
| 477 | D | 33.5 | Very low | 35.6 | Very low | 157 Ų | 157 | 149.7 Ų | 149.7 | 84% | 0.84 | 74% | 0.743 | S | S | * | * | trans | -71.1 | 166.8 | -174.5 | -132.1 | -23.1 | 0 | 0 | 0 | 116.1 | ||||
| 478 | Q | 38.7 | Very low | 35.8 | Very low | 182 Ų | 182 | 150.5 Ų | 150.5 | 85% | 0.85 | 76% | 0.756 | S | S | * | * | trans | -134.4 | 145.2 | 169.1 | -79.5 | -164.9 | -13.6 | 0 | 0 | 112.3 | ||||
| 479 | K | 36.5 | Very low | 35.7 | Very low | 179 Ų | 179 | 151.4 Ų | 151.4 | 78% | 0.778 | 76% | 0.755 | S | S | * | * | trans | -154.6 | 154.3 | -173.9 | -137.2 | -175.3 | 165.5 | -139.4 | 0 | 112.9 | ||||
| 480 | E | 34.6 | Very low | 36 | Very low | 144 Ų | 144 | 149.3 Ų | 149.3 | 67% | 0.673 | 75% | 0.754 | S | S | * | * | trans | 74.9 | 126.3 | 157.4 | -75.1 | 159.8 | -145.4 | 0 | 0 | 122 | ||||
| 481 | F | 36.1 | Very low | 35.9 | Very low | 200 Ų | 200 | 147.5 Ų | 147.5 | 88% | 0.877 | 75% | 0.754 | S | S | * | * | trans | -147.9 | 115 | 147.4 | -94.5 | -91.1 | 0 | 0 | 0 | 104.8 | ||||
| 482 | Y | 36.8 | Very low | 35.9 | Very low | 203 Ų | 203 | 147.9 Ų | 147.9 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | 66 | 130.2 | 96.1 | -92.5 | -115.3 | 0 | 0 | 0 | 114.9 | |||||
| 483 | T | 37.6 | Very low | 35.9 | Very low | 107 Ų | 107 | 146.4 Ų | 146.4 | 66% | 0.656 | 76% | 0.762 | S | S | * | * | cis | -159.6 | 173.9 | 4 | -10.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 484 | D | 34.5 | Very low | 36 | Very low | 137 Ų | 137 | 147.3 Ų | 147.3 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | -75.4 | 178.8 | -175.3 | -45.9 | -93.8 | 0 | 0 | 0 | 117.4 | ||||
| 485 | F | 36.4 | Very low | 36.1 | Very low | 189 Ų | 189 | 147.3 Ų | 147.3 | 83% | 0.829 | 76% | 0.762 | S | S | * | * | -169.2 | 124.4 | 120.8 | -106.3 | -67.3 | 0 | 0 | 0 | 115.2 | |||||
| 486 | N | 37.1 | Very low | 36.4 | Very low | 128 Ų | 128 | 142.4 Ų | 142.4 | 68% | 0.684 | 75% | 0.754 | S | S | * | * | trans | 29.1 | 136.4 | 153.7 | -62.3 | -6.5 | 0 | 0 | 0 | 122.9 | ||||
| 487 | V | 38.1 | Very low | 36.2 | Very low | 130 Ų | 130 | 143.9 Ų | 143.9 | 79% | 0.788 | 76% | 0.756 | S | S | * | * | cis | 99 | 120.5 | 29.6 | 169 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 488 | C | 35.3 | Very low | 36.3 | Very low | 127 Ų | 127 | 142.6 Ų | 142.6 | 86% | 0.858 | 75% | 0.749 | S | S | * | * | trans | -179.9 | 141.6 | 136.5 | -108.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 489 | Q | 33.7 | Very low | 36.1 | Very low | 178 Ų | 178 | 137.5 Ų | 137.5 | 83% | 0.832 | 73% | 0.733 | S | S | * | * | trans | -163.4 | 137.5 | 175.3 | -98.4 | -91.2 | -17 | 0 | 0 | 110.3 | ||||
| 490 | P | 38.1 | Very low | 36.1 | Very low | 103 Ų | 103 | 133.3 Ų | 133.3 | 67% | 0.669 | 72% | 0.719 | S | S | * | * | trans | -131.3 | 131.8 | 154.2 | 21.1 | -0.6 | 0 | 0 | 0 | 112.1 | ||||
| 491 | T | 35.5 | Very low | 36.3 | Very low | 116 Ų | 116 | 131.6 Ų | 131.6 | 71% | 0.712 | 71% | 0.71 | S | S | * | * | 56.9 | 129 | 70.9 | 68.3 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 492 | T | 35.4 | Very low | 36.3 | Very low | 126 Ų | 126 | 128.4 Ų | 128.4 | 77% | 0.773 | 70% | 0.698 | S | S | * | * | cis | -166.9 | 177.5 | 8.7 | 4.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 493 | S | 34.6 | Very low | 36.4 | Very low | 95 Ų | 95 | 125.6 Ų | 125.6 | 66% | 0.664 | 70% | 0.697 | S | S | * | * | trans | 76.9 | 124.4 | 150.1 | 63.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 494 | N | 36.4 | Very low | 36.3 | Very low | 136 Ų | 136 | 125.9 Ų | 125.9 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | trans | 66.9 | 143.8 | 134.2 | -63.3 | 45.8 | 0 | 0 | 0 | 119.3 | ||||
| 495 | D | 37.1 | Very low | 36.5 | Very low | 129 Ų | 129 | 124.5 Ų | 124.5 | 69% | 0.69 | 70% | 0.7 | S | S | * | * | cis | -160.7 | 159 | 1 | -118.5 | -29.5 | 0 | 0 | 0 | 113.1 | ||||
| 496 | V | 38.7 | Very low | 36.5 | Very low | 111 Ų | 111 | 126.7 Ų | 126.7 | 67% | 0.673 | 71% | 0.705 | S | S | * | * | trans | 69.3 | 118 | 143.1 | 173.1 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 497 | N | 36.5 | Very low | 36.1 | Very low | 144 Ų | 144 | 127.7 Ų | 127.7 | 77% | 0.77 | 71% | 0.71 | S | S | * | * | trans | 84.4 | 102.4 | 142.9 | -72.5 | -4.1 | 0 | 0 | 0 | 126.6 | ||||
| 498 | N | 34.9 | Very low | 36.1 | Very low | 131 Ų | 131 | 129.5 Ų | 129.5 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | 99.2 | 152.7 | 102.3 | -148.2 | 17 | 0 | 0 | 0 | 123.6 | |||||
| 499 | C | 34.9 | Very low | 35.9 | Very low | 75 Ų | 75 | 128.6 Ų | 128.6 | 51% | 0.507 | 70% | 0.704 | S | S | . | * | trans | 66.8 | 102.7 | 161.3 | -70.1 | 0 | 0 | 0 | 0 | 123.3 | N108 | N108-C499 WeakPolarHBondContact CB-O 3.43Å; N108-C499 PolarHBondContact ND2-O 3.47Å | ||
| 500 | N | 36.1 | Very low | 36 | Very low | 90 Ų | 90 | 128.9 Ų | 128.9 | 48% | 0.481 | 71% | 0.705 | S | S | . | * | 29.8 | 153 | 116.8 | -56.6 | 1.6 | 0 | 0 | 0 | 120.9 | M109 | M109-N500 WeakPolarHBondContact CB-OD1 3.42Š| |||
| 501 | H | 38.1 | Very low | 35.7 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 50% | 0.5 | 71% | 0.707 | S | S | . | * | cis | -166.8 | 155 | 18.9 | -142.4 | -138 | 0 | 0 | 0 | 114.4 | N108 | N108-H501 WeakPolarHBondContact O-CA 3.49Š| ||
| 502 | E | 37.2 | Very low | 35.8 | Very low | 133 Ų | 133 | 129 Ų | 129 | 62% | 0.621 | 71% | 0.71 | S | S | * | * | trans | 71.9 | 146.1 | 137.3 | -102.2 | -180 | 158.2 | 0 | 0 | 127.7 | ||||
| 503 | L | 38.2 | Very low | 35.7 | Very low | 145 Ų | 145 | 131.7 Ų | 131.7 | 76% | 0.759 | 71% | 0.714 | S | S | * | * | trans | 66.7 | 146.3 | 152 | -62.5 | 160.8 | 0 | 0 | 0 | 120.8 | ||||
| 504 | C | 36.4 | Very low | 35.9 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 76% | 0.764 | 72% | 0.72 | S | S | * | * | cis | -165.1 | 165.8 | -34.9 | -121.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 505 | P | 38.6 | Very low | 35.9 | Very low | 108 Ų | 108 | 138.3 Ų | 138.3 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | trans | -99.6 | 167.2 | -162.7 | 39 | -37.3 | 0 | 0 | 0 | 116.5 | ||||
| 506 | Y | 34.9 | Very low | 35.6 | Very low | 235 Ų | 235 | 138 Ų | 138 | 92% | 0.922 | 73% | 0.733 | S | S | * | * | trans | -144.7 | 136 | 158.1 | -101.5 | -82.9 | 0 | 0 | 0 | 111.5 | ||||
| 507 | D | 30.1 | Very low | 35.5 | Very low | 149 Ų | 149 | 137.7 Ų | 137.7 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | trans | -73.8 | 152.5 | 168.1 | -75.9 | -69.8 | 0 | 0 | 0 | 112.2 | ||||
| 508 | I | 36.8 | Very low | 35.6 | Very low | 168 Ų | 168 | 140.1 Ų | 140.1 | 86% | 0.862 | 74% | 0.74 | S | S | * | * | trans | -170.2 | 146.4 | 130.4 | -97.6 | 151.9 | 0 | 0 | 0 | 109.4 | ||||
| 509 | T | 31.8 | Very low | 36 | Very low | 108 Ų | 108 | 141.1 Ų | 141.1 | 66% | 0.663 | 75% | 0.745 | S | S | * | * | trans | -90.8 | 150.5 | -177.9 | 53.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 510 | H | 34.9 | Very low | 36 | Very low | 184 Ų | 184 | 145.2 Ų | 145.2 | 85% | 0.852 | 76% | 0.762 | S | S | * | * | 176.6 | 160.2 | 123.6 | -96.8 | 64.6 | 0 | 0 | 0 | 114.6 | |||||
| 511 | S | 33.3 | Very low | 36.1 | Very low | 101 Ų | 101 | 146.2 Ų | 146.2 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | -38.1 | 150.7 | -173.7 | -157.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 512 | P | 37.5 | Very low | 36.7 | Very low | 121 Ų | 121 | 149.3 Ų | 149.3 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | trans | -95.1 | 129.4 | 165.1 | 35.5 | -29.4 | 0 | 0 | 0 | 113.7 | ||||
| 513 | E | 33.8 | Very low | 37 | Very low | 182 Ų | 182 | 149.8 Ų | 149.8 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | -134.6 | 83.2 | 169.3 | -74.2 | -164.9 | 147.7 | 0 | 0 | 111.9 | ||||
| 514 | I | 38.3 | Very low | 37 | Very low | 153 Ų | 153 | 151.4 Ų | 151.4 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | -141.5 | 149.4 | 163.3 | -55.4 | -177 | 0 | 0 | 0 | 109.2 | ||||
| 515 | Y | 35.5 | Very low | 37.3 | Very low | 217 Ų | 217 | 154 Ų | 154 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | trans | 90.2 | 71.6 | -179.5 | -69.1 | -76.7 | 0 | 0 | 0 | 117.4 | ||||
| 516 | S | 30.9 | Very low | 37.5 | Very low | 121 Ų | 121 | 155 Ų | 155 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | trans | -141.8 | 68.7 | 161 | 175.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 517 | S | 36.4 | Very low | 37.8 | Very low | 106 Ų | 106 | 153.2 Ų | 153.2 | 74% | 0.741 | 81% | 0.812 | S | S | * | * | trans | -164.3 | 54.3 | -177.5 | 51.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 518 | F | 40 | Very low | 38.5 | Very low | 194 Ų | 194 | 159.6 Ų | 159.6 | 85% | 0.851 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -153.7 | 149.5 | 161.8 | -138.7 | -107.6 | 0 | 0 | 0 | 111.3 | ||
| 519 | L | 42.2 | Very low | 38.6 | Very low | 152 Ų | 152 | 159.2 Ų | 159.2 | 80% | 0.796 | 83% | 0.832 | S | S | * | * | trans | 70.7 | 41.2 | -178.7 | -48.3 | -177.5 | 0 | 0 | 0 | 117 | ||||
| 520 | D | 34.5 | Very low | 39 | Very low | 161 Ų | 161 | 161.8 Ų | 161.8 | 86% | 0.861 | 84% | 0.841 | S | S | * | * | trans | -80.1 | 152 | 135.2 | -93.9 | -44.7 | 0 | 0 | 0 | 108.9 | ||||
| 521 | S | 39.8 | Very low | 39.2 | Very low | 112 Ų | 112 | 160.6 Ų | 160.6 | 78% | 0.783 | 84% | 0.84 | S | S | * | * | trans | 66.6 | 108.4 | -176.6 | -58.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 522 | I | 49.5 | Very low | 39.5 | Very low | 173 Ų | 173 | 164.1 Ų | 164.1 | 89% | 0.887 | 85% | 0.848 | S | S | * | * | -164.2 | 148.4 | 120.2 | -97.2 | 155.3 | 0 | 0 | 0 | 108.6 | |||||
| 523 | D | 44 | Very low | 39.7 | Very low | 143 Ų | 143 | 166.8 Ų | 166.8 | 77% | 0.765 | 85% | 0.852 | S | S | * | * | trans | -66.4 | 152.6 | -158.6 | -101.3 | -57 | 0 | 0 | 0 | 118.4 | ||||
| 524 | L | 39.1 | Very low | 40 | Very low | 178 Ų | 178 | 165.8 Ų | 165.8 | 93% | 0.932 | 85% | 0.852 | S | S | * | * | trans | -110.5 | 62.6 | 170.6 | -85.2 | 168.8 | 0 | 0 | 0 | 110.8 | ||||
| 525 | Q | 40.7 | Very low | 40.2 | Very low | 169 Ų | 169 | 166.7 Ų | 166.7 | 79% | 0.79 | 86% | 0.857 | S | S | * | * | trans | -136.8 | 24.2 | -176.8 | -159.1 | 140.8 | 14.5 | 0 | 0 | 116.3 | ||||
| 526 | T | 43.5 | Very low | 40.5 | Very low | 127 Ų | 127 | 162.8 Ų | 162.8 | 78% | 0.779 | 86% | 0.857 | S | S | * | * | S | Bend | trans | -135.5 | 146.9 | 169.2 | -45.9 | 0 | 0 | 0 | 0 | 110 | ||
| 527 | F | 40.4 | Very low | 41.3 | Very low | 199 Ų | 199 | 166.3 Ų | 166.3 | 87% | 0.873 | 86% | 0.858 | S | S | * | * | trans | 72.2 | 66.4 | -171.3 | -67.9 | -82.7 | 0 | 0 | 0 | 116.1 | ||||
| 528 | F | 46 | Very low | 41.8 | Very low | 282 Ų | 282 | 171.8 Ų | 171.8 | 100% | 1.237 | 87% | 0.868 | S | S | * | * | -71 | 0 | 125.3 | -99.8 | -83.2 | 0 | 0 | 0 | 109.9 |
Retrieved 528 of 528 residues in 203.5 ms
(Link to these results)