| 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 | 37.6 | Very low | 36.6 | Very low | 232 Ų | 232 | 154.7 Ų | 154.7 | 100% | 1.143 | 83% | 0.83 | S | S | * | * | 0 | 141.3 | 0 | -66.4 | -176.5 | -80.5 | 0 | 0 | 107.3 | |||||
| 2 | K | 43.3 | Very low | 36 | Very low | 198 Ų | 198 | 150.3 Ų | 150.3 | 86% | 0.861 | 82% | 0.82 | S | S | * | * | cis | -119.5 | 113.9 | -12.6 | -59.1 | 173.6 | -178.4 | 175 | 0 | 105.3 | ||||
| 3 | K | 32.7 | Very low | 35.7 | Very low | 197 Ų | 197 | 150.8 Ų | 150.8 | 86% | 0.857 | 82% | 0.82 | S | S | * | * | 57.8 | 68.7 | 76.7 | -75.1 | -161.1 | 172.2 | -171.1 | 0 | 114.3 | |||||
| 4 | L | 44.9 | Very low | 35.4 | Very low | 166 Ų | 166 | 150.5 Ų | 150.5 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | trans | -172.7 | 117.1 | 145.5 | -120.7 | 65.6 | 0 | 0 | 0 | 103.9 | ||||
| 5 | A | 35.6 | Very low | 35.4 | Very low | 82 Ų | 82 | 151.5 Ų | 151.5 | 68% | 0.678 | 82% | 0.819 | S | S | * | * | cis | 69.8 | 128.1 | 18.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 6 | M | 37.7 | Very low | 35.4 | Very low | 188 Ų | 188 | 148.9 Ų | 148.9 | 93% | 0.926 | 81% | 0.811 | S | S | * | * | trans | 68.9 | 132.8 | -163.9 | -49.5 | -173.5 | -167.4 | 0 | 0 | 113 | ||||
| 7 | V | 38.2 | Very low | 35.5 | Very low | 116 Ų | 116 | 149.6 Ų | 149.6 | 70% | 0.703 | 81% | 0.812 | S | S | * | * | cis | -150.6 | 139.4 | -1 | 111.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 8 | I | 31.8 | Very low | 35.7 | Very low | 148 Ų | 148 | 146.9 Ų | 146.9 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | trans | 31.7 | 108.7 | 151.8 | -52.6 | 161.8 | 0 | 0 | 0 | 116.9 | ||||
| 9 | A | 33.7 | Very low | 35.7 | Very low | 87 Ų | 87 | 149.1 Ų | 149.1 | 72% | 0.719 | 81% | 0.805 | S | S | * | * | cis | 89.1 | 74.1 | 48.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 10 | T | 32.4 | Very low | 35.8 | Very low | 133 Ų | 133 | 145.2 Ų | 145.2 | 82% | 0.816 | 80% | 0.801 | S | S | * | * | trans | -161.4 | 101.5 | 150 | 35.1 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 11 | I | 34.6 | Very low | 35.7 | Very low | 155 Ų | 155 | 145.5 Ų | 145.5 | 80% | 0.795 | 80% | 0.801 | S | S | * | * | 89.7 | 121.4 | 75.7 | -73.2 | 168.1 | 0 | 0 | 0 | 113.5 | |||||
| 12 | S | 29.8 | Very low | 35.3 | Very low | 102 Ų | 102 | 141.7 Ų | 141.7 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | 79.6 | 105.5 | 164 | -63.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 13 | L | 31.6 | Very low | 34.7 | Very low | 157 Ų | 157 | 139.7 Ų | 139.7 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | 60.1 | 146.8 | 144 | -81.1 | 59.9 | 0 | 0 | 0 | 121.1 | ||||
| 14 | L | 32.3 | Very low | 34.5 | Very low | 146 Ų | 146 | 137.2 Ų | 137.2 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | cis | -178.4 | 128.9 | -37.7 | -125.1 | 161.8 | 0 | 0 | 0 | 109.2 | ||||
| 15 | L | 34.8 | Very low | 33.9 | Very low | 165 Ų | 165 | 135.9 Ų | 135.9 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | trans | 170.2 | 153.7 | 144.1 | -98.7 | 163.7 | 0 | 0 | 0 | 113.6 | ||||
| 16 | T | 35.8 | Very low | 33.7 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 68% | 0.681 | 75% | 0.753 | S | S | * | * | trans | -163.9 | 134.1 | -174.9 | 47.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 17 | L | 37 | Very low | 33.4 | Very low | 160 Ų | 160 | 136.3 Ų | 136.3 | 84% | 0.838 | 74% | 0.74 | S | S | * | * | trans | 63.7 | 164.1 | 146.2 | -56.3 | 173.8 | 0 | 0 | 0 | 117.8 | ||||
| 18 | T | 38.7 | Very low | 33.1 | Very low | 101 Ų | 101 | 136.9 Ų | 136.9 | 62% | 0.62 | 74% | 0.735 | S | S | * | * | cis | -163.6 | 146.9 | -15.2 | 21.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 19 | H | 35.5 | Very low | 33.1 | Very low | 188 Ų | 188 | 137.5 Ų | 137.5 | 87% | 0.87 | 73% | 0.732 | S | S | * | * | trans | 37.2 | 135 | 140.6 | -65.3 | 52.9 | 0 | 0 | 0 | 122.4 | ||||
| 20 | G | 37.5 | Very low | 33.1 | Very low | 71 Ų | 71 | 139.3 Ų | 139.3 | 73% | 0.732 | 73% | 0.73 | S | S | * | * | 122.1 | 117.3 | 122.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 21 | I | 33.8 | Very low | 33.2 | Very low | 153 Ų | 153 | 140.1 Ų | 140.1 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | 65.1 | 119.6 | 123.1 | -65.1 | 172.3 | 0 | 0 | 0 | 122.5 | |||||
| 22 | Q | 30.2 | Very low | 33.2 | Very low | 151 Ų | 151 | 138 Ų | 138 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | trans | 51.4 | 125.6 | 143.7 | -68.3 | 179.2 | -76.1 | 0 | 0 | 125.5 | ||||
| 23 | Q | 29.2 | Very low | 33.4 | Very low | 157 Ų | 157 | 139.2 Ų | 139.2 | 73% | 0.734 | 71% | 0.709 | S | S | * | * | 67.9 | 141.1 | 126.7 | -67.4 | -176.7 | -22.1 | 0 | 0 | 124.4 | |||||
| 24 | H | 29.9 | Very low | 33.6 | Very low | 145 Ų | 145 | 139.8 Ų | 139.8 | 67% | 0.671 | 71% | 0.705 | S | S | * | * | trans | 85.5 | 119.7 | 141.5 | -102.2 | -119.9 | 0 | 0 | 0 | 123 | ||||
| 25 | Q | 31 | Very low | 33.8 | Very low | 137 Ų | 137 | 141 Ų | 141 | 64% | 0.64 | 71% | 0.71 | S | S | * | * | trans | 72.4 | 113.3 | 136.3 | -83.1 | 175.7 | -30 | 0 | 0 | 122.8 | ||||
| 26 | Q | 32 | Very low | 33.8 | Very low | 141 Ų | 141 | 139 Ų | 139 | 66% | 0.659 | 70% | 0.7 | S | S | * | * | 81.8 | 126.7 | 119.5 | -78.6 | 177.4 | -15 | 0 | 0 | 122.9 | |||||
| 27 | Q | 31.8 | Very low | 33.9 | Very low | 139 Ų | 139 | 139.4 Ų | 139.4 | 65% | 0.65 | 69% | 0.694 | S | S | * | * | trans | 83.8 | 109.4 | 133.8 | -70.3 | -177.9 | 38.4 | 0 | 0 | 122 | ||||
| 28 | Q | 31 | Very low | 33.8 | Very low | 128 Ų | 128 | 139.3 Ų | 139.3 | 60% | 0.598 | 69% | 0.687 | S | S | * | * | 73.5 | 123 | 122.3 | -66.2 | -170.3 | 48.5 | 0 | 0 | 121.9 | |||||
| 29 | K | 32.8 | Very low | 33.7 | Very low | 161 Ų | 161 | 140.5 Ų | 140.5 | 70% | 0.7 | 69% | 0.689 | S | S | * | * | trans | 76.6 | 124.6 | 131.2 | -72.6 | 173.4 | -178 | 156.5 | 0 | 120.6 | ||||
| 30 | N | 33.4 | Very low | 33.6 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 67% | 0.668 | 68% | 0.678 | S | S | * | * | 91.4 | 118.2 | 126.2 | -77.5 | -0.7 | 0 | 0 | 0 | 121.9 | |||||
| 31 | Q | 35 | Very low | 33.5 | Very low | 150 Ų | 150 | 144.9 Ų | 144.9 | 70% | 0.701 | 68% | 0.68 | S | S | * | * | 103.6 | 116.8 | 120.2 | -79.8 | -179.6 | 34 | 0 | 0 | 121.9 | |||||
| 32 | N | 34.5 | Very low | 33.6 | Very low | 109 Ų | 109 | 142.7 Ų | 142.7 | 58% | 0.583 | 67% | 0.67 | S | S | * | * | 87.4 | 101.3 | 123.2 | -72.3 | -26 | 0 | 0 | 0 | 123 | |||||
| 33 | Q | 34.8 | Very low | 33.7 | Very low | 129 Ų | 129 | 141.5 Ų | 141.5 | 60% | 0.603 | 67% | 0.668 | S | S | * | * | 84.9 | 128.4 | 110.2 | -75.8 | -179.4 | 53.3 | 0 | 0 | 123.3 | |||||
| 34 | K | 34.1 | Very low | 33.9 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 74% | 0.735 | 67% | 0.667 | S | S | * | * | trans | 76.7 | 129.7 | 135.1 | -73.6 | 169.5 | 176.9 | 155.7 | 0 | 121.3 | ||||
| 35 | I | 36.4 | Very low | 34 | Very low | 171 Ų | 171 | 141.2 Ų | 141.2 | 88% | 0.877 | 67% | 0.673 | S | S | * | * | 174.4 | 149.4 | 118.5 | -89.1 | 153.6 | 0 | 0 | 0 | 108.1 | |||||
| 36 | D | 36.6 | Very low | 33.9 | Very low | 123 Ų | 123 | 140.5 Ų | 140.5 | 66% | 0.658 | 67% | 0.673 | S | S | * | * | cis | -162.7 | 166.2 | -43.2 | -163.3 | -6.3 | 0 | 0 | 0 | 109.1 | ||||
| 37 | H | 36.9 | Very low | 33.8 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 56% | 0.556 | 68% | 0.677 | S | S | * | * | trans | 88.1 | 112.7 | 145.7 | -85.2 | 11.9 | 0 | 0 | 0 | 125 | ||||
| 38 | K | 35 | Very low | 33.6 | Very low | 157 Ų | 157 | 141 Ų | 141 | 68% | 0.683 | 68% | 0.682 | S | S | * | * | 81 | 146.2 | 125.1 | -66.3 | 176.6 | 172.4 | 157.4 | 0 | 119 | |||||
| 39 | L | 36.1 | Very low | 33.4 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 66% | 0.66 | 68% | 0.683 | S | S | * | * | cis | -157.2 | 127.9 | 4.7 | -152 | 70.6 | 0 | 0 | 0 | 116.4 | ||||
| 40 | K | 33.3 | Very low | 33.1 | Very low | 150 Ų | 150 | 139.8 Ų | 139.8 | 65% | 0.652 | 69% | 0.689 | S | S | * | * | trans | 51.1 | 129.6 | 139.2 | -70.2 | 177.1 | -171.3 | 168.8 | 0 | 125.7 | ||||
| 41 | R | 35.1 | Very low | 32.7 | Very low | 201 Ų | 201 | 140.4 Ų | 140.4 | 76% | 0.758 | 69% | 0.691 | S | S | * | * | 77.2 | 155.2 | 124.9 | -70.1 | -174.1 | 171.9 | 173.2 | -4.7 | 119.9 | |||||
| 42 | N | 36.8 | Very low | 32.3 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 58% | 0.578 | 69% | 0.689 | S | S | * | * | cis | -158.5 | 158 | -1.9 | -124.5 | 10.5 | 0 | 0 | 0 | 113.1 | ||||
| 43 | N | 32.8 | Very low | 31.9 | Very low | 125 Ų | 125 | 141.9 Ų | 141.9 | 67% | 0.668 | 70% | 0.696 | S | S | * | * | trans | 23.7 | 144.4 | 137.4 | -54.8 | -1.6 | 0 | 0 | 0 | 120.7 | ||||
| 44 | L | 32.1 | Very low | 31.7 | Very low | 135 Ų | 135 | 144.3 Ų | 144.3 | 71% | 0.707 | 71% | 0.705 | S | S | * | * | -170.6 | 137.6 | 72.7 | -115.7 | 97.6 | 0 | 0 | 0 | 114.3 | |||||
| 45 | M | 33.3 | Very low | 31.3 | Very low | 161 Ų | 161 | 142 Ų | 142 | 79% | 0.793 | 70% | 0.701 | S | S | * | * | trans | 64.2 | 161.1 | 136.3 | -71.7 | -154.2 | -167.5 | 0 | 0 | 123.2 | ||||
| 46 | N | 27.7 | Very low | 30.9 | Very low | 122 Ų | 122 | 140 Ų | 140 | 65% | 0.652 | 69% | 0.688 | S | S | * | * | cis | -174.3 | 165.4 | -34.5 | -155 | -10.9 | 0 | 0 | 0 | 110.1 | ||||
| 47 | K | 31.4 | Very low | 30.4 | Very low | 168 Ų | 168 | 140.2 Ų | 140.2 | 73% | 0.73 | 69% | 0.685 | S | S | * | * | trans | 64.8 | 113.4 | 164.6 | -62.8 | 177.3 | 179.2 | -179.7 | 0 | 116.6 | ||||
| 48 | T | 26.3 | Very low | 29.9 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 76% | 0.755 | 69% | 0.692 | S | S | * | * | 59.6 | 115.3 | 66.1 | 73.1 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 49 | S | 27.1 | Very low | 29.5 | Very low | 90 Ų | 90 | 141.7 Ų | 141.7 | 63% | 0.629 | 69% | 0.694 | S | S | * | * | 148.3 | 149.1 | 97.2 | 76.6 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 50 | Q | 25.7 | Very low | 29.1 | Very low | 174 Ų | 174 | 139.6 Ų | 139.6 | 81% | 0.813 | 69% | 0.69 | S | S | * | * | trans | 66.5 | 153.1 | 150.9 | -68.8 | 176.2 | 30.5 | 0 | 0 | 118.5 | ||||
| 51 | L | 26.6 | Very low | 28.7 | Very low | 137 Ų | 137 | 142.1 Ų | 142.1 | 72% | 0.717 | 70% | 0.697 | S | S | * | * | cis | -165.4 | 158.2 | -32.2 | -156.2 | 94.6 | 0 | 0 | 0 | 107.2 | ||||
| 52 | S | 26 | Very low | 28.4 | Very low | 95 Ų | 95 | 140.4 Ų | 140.4 | 66% | 0.664 | 70% | 0.697 | S | S | * | * | trans | 71.9 | 161.7 | 156.5 | 94.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 53 | R | 26.2 | Very low | 28 | Very low | 195 Ų | 195 | 141 Ų | 141 | 74% | 0.736 | 70% | 0.704 | S | S | * | * | cis | -169.3 | 171.7 | -20.2 | -115.7 | 177.4 | -167 | 165.5 | 1.4 | 107.5 | ||||
| 54 | F | 29.4 | Very low | 27.9 | Very low | 180 Ų | 180 | 144 Ų | 144 | 79% | 0.789 | 71% | 0.714 | S | S | * | * | trans | 68.9 | 130 | 169 | -59.8 | -71.8 | 0 | 0 | 0 | 116.1 | ||||
| 55 | N | 27.2 | Very low | 28.4 | Very low | 120 Ų | 120 | 142.7 Ų | 142.7 | 64% | 0.642 | 71% | 0.714 | S | S | * | * | cis | 134.7 | 143.1 | -11.7 | 179.7 | 45.9 | 0 | 0 | 0 | 109.6 | ||||
| 56 | H | 27.5 | Very low | 28.2 | Very low | 130 Ų | 130 | 144.3 Ų | 144.3 | 60% | 0.602 | 72% | 0.716 | S | S | * | * | trans | 74.7 | 114.4 | 158.5 | -90.3 | 23.7 | 0 | 0 | 0 | 120.4 | ||||
| 57 | Q | 26.3 | Very low | 28.3 | Very low | 128 Ų | 128 | 146.3 Ų | 146.3 | 60% | 0.598 | 72% | 0.724 | S | S | * | * | 86.7 | 111.7 | 117.5 | -74.3 | 179.6 | -24.5 | 0 | 0 | 121.5 | |||||
| 58 | Q | 25.9 | Very low | 28.3 | Very low | 149 Ų | 149 | 147.6 Ų | 147.6 | 70% | 0.696 | 74% | 0.735 | S | S | * | * | 86.7 | 142.9 | 114.7 | -76.5 | 177.8 | -10.9 | 0 | 0 | 122.5 | |||||
| 59 | H | 27.2 | Very low | 28.4 | Very low | 158 Ų | 158 | 148.2 Ų | 148.2 | 73% | 0.731 | 73% | 0.733 | S | S | * | * | trans | 60.1 | 95.6 | 145.8 | -78.8 | -71.8 | 0 | 0 | 0 | 121.2 | ||||
| 60 | S | 26.4 | Very low | 28.7 | Very low | 83 Ų | 83 | 150.7 Ų | 150.7 | 58% | 0.58 | 75% | 0.745 | S | S | * | * | 90.2 | 158.1 | 104.7 | -149.9 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 61 | Y | 26.9 | Very low | 28.8 | Very low | 202 Ų | 202 | 149.1 Ų | 149.1 | 79% | 0.792 | 74% | 0.742 | S | S | * | * | trans | 76.9 | 101.4 | 154.5 | -70.2 | -54.7 | 0 | 0 | 0 | 122.1 | ||||
| 62 | H | 26.8 | Very low | 29 | Very low | 166 Ų | 166 | 150.6 Ų | 150.6 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | 96.6 | 152.1 | 110.8 | -136.5 | -62.2 | 0 | 0 | 0 | 120.6 | |||||
| 63 | V | 29.7 | Very low | 29.1 | Very low | 119 Ų | 119 | 152.9 Ų | 152.9 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | trans | 80.5 | 84.3 | 163.8 | -164.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 64 | Q | 30.4 | Very low | 29.3 | Very low | 189 Ų | 189 | 152.3 Ų | 152.3 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | 29.6 | 162.5 | 109.1 | -82.1 | -160.8 | -16.2 | 0 | 0 | 123.9 | |||||
| 65 | P | 41.7 | Very low | 29.2 | Very low | 107 Ų | 107 | 148.1 Ų | 148.1 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | trans | -119.9 | -174 | -150.1 | 45.5 | -35.6 | 0 | 0 | 0 | 116.2 | ||||
| 66 | K | 30.5 | Very low | 29.2 | Very low | 195 Ų | 195 | 149.7 Ų | 149.7 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | trans | -138.4 | 128.6 | 151.7 | -81.1 | 170.6 | 179.6 | 169.7 | 0 | 107.8 | ||||
| 67 | M | 28.5 | Very low | 29.2 | Very low | 165 Ų | 165 | 152.2 Ų | 152.2 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | 68.4 | 118.7 | 57.1 | -78.3 | -163.6 | 161.5 | 0 | 0 | 115.4 | |||||
| 68 | M | 32.7 | Very low | 29.5 | Very low | 194 Ų | 194 | 155.1 Ų | 155.1 | 96% | 0.956 | 79% | 0.789 | S | S | * | * | trans | -151.6 | 132.6 | 135.4 | -112.7 | 176.4 | 178.7 | 0 | 0 | 110.6 | ||||
| 69 | N | 27.9 | Very low | 29.6 | Very low | 136 Ų | 136 | 157 Ų | 157 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -89.4 | 154 | 174.5 | -65.3 | -27.6 | 0 | 0 | 0 | 110.5 | ||||
| 70 | V | 33.4 | Very low | 29.7 | Very low | 143 Ų | 143 | 157 Ų | 157 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | -139.1 | 123.6 | 137.4 | 178.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 71 | N | 27.5 | Very low | 29.9 | Very low | 141 Ų | 141 | 157.6 Ų | 157.6 | 75% | 0.754 | 81% | 0.81 | S | S | * | * | trans | -87.4 | 158.1 | 163.5 | -78.4 | -18.6 | 0 | 0 | 0 | 109.1 | ||||
| 72 | L | 31.8 | Very low | 30.2 | Very low | 168 Ų | 168 | 154.3 Ų | 154.3 | 88% | 0.88 | 81% | 0.811 | S | S | * | * | -162.6 | 156.9 | 129.6 | -107.4 | 164.4 | 0 | 0 | 0 | 111.1 | |||||
| 73 | N | 26.5 | Very low | 30.4 | Very low | 143 Ų | 143 | 155.2 Ų | 155.2 | 77% | 0.765 | 81% | 0.813 | S | S | * | * | trans | -101.2 | 155.6 | 177.2 | -56.4 | -38.3 | 0 | 0 | 0 | 109.8 | ||||
| 74 | E | 31.1 | Very low | 30.4 | Very low | 183 Ų | 183 | 156.6 Ų | 156.6 | 86% | 0.855 | 82% | 0.817 | S | S | * | * | trans | 168.1 | 119 | 143.2 | -93.1 | 156.9 | -165.2 | 0 | 0 | 105.3 | ||||
| 75 | S | 26.6 | Very low | 30.5 | Very low | 91 Ų | 91 | 154.7 Ų | 154.7 | 64% | 0.636 | 82% | 0.817 | S | S | * | * | cis | 96.7 | 125.5 | 35.6 | 73.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 76 | D | 27.4 | Very low | 29.9 | Very low | 154 Ų | 154 | 156.7 Ų | 156.7 | 82% | 0.824 | 82% | 0.821 | S | S | * | * | trans | 79.2 | 160.2 | 155.8 | -68.6 | -56.5 | 0 | 0 | 0 | 122.3 | ||||
| 77 | E | 27.7 | Very low | 29.8 | Very low | 183 Ų | 183 | 153.9 Ų | 153.9 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | trans | 58.5 | 96.9 | 165.4 | -69.5 | -179.4 | 178.1 | 0 | 0 | 120.9 | ||||
| 78 | M | 32.2 | Very low | 29.9 | Very low | 188 Ų | 188 | 153.4 Ų | 153.4 | 93% | 0.926 | 82% | 0.815 | S | S | * | * | -155.9 | 131.5 | 91.2 | -103.7 | -177.3 | 70.5 | 0 | 0 | 112.6 | |||||
| 79 | K | 29.5 | Very low | 29.9 | Very low | 189 Ų | 189 | 152.7 Ų | 152.7 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | trans | -123.6 | 159.3 | 173.4 | -82.9 | 175.5 | 175.9 | 164.1 | 0 | 110 | ||||
| 80 | N | 28.6 | Very low | 30 | Very low | 158 Ų | 158 | 151.9 Ų | 151.9 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | 63.8 | 85 | 154.8 | -60.8 | -12.6 | 0 | 0 | 0 | 119.1 | ||||
| 81 | A | 31.2 | Very low | 29.7 | Very low | 95 Ų | 95 | 147.9 Ų | 147.9 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | -152.4 | 125.8 | 144 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 82 | T | 33.3 | Very low | 29.8 | Very low | 133 Ų | 133 | 149.6 Ų | 149.6 | 82% | 0.816 | 81% | 0.809 | S | S | * | * | cis | -146.7 | 162.3 | -8.9 | -40.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 83 | K | 30.1 | Very low | 29.6 | Very low | 186 Ų | 186 | 149.9 Ų | 149.9 | 81% | 0.809 | 80% | 0.803 | S | S | * | * | trans | -68.7 | 169.2 | 158.2 | -70.9 | 171.2 | 175.9 | 175.1 | 0 | 109.8 | ||||
| 84 | D | 30.1 | Very low | 29.6 | Very low | 148 Ų | 148 | 149.3 Ų | 149.3 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | 117.4 | 52.9 | 162.4 | -55.9 | -11.9 | 0 | 0 | 0 | 117.2 | ||||
| 85 | V | 32.4 | Very low | 29.4 | Very low | 148 Ų | 148 | 147 Ų | 147 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | -137.5 | 69.3 | 146.3 | -166 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 86 | I | 29.3 | Very low | 29.5 | Very low | 149 Ų | 149 | 148.9 Ų | 148.9 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -113.1 | 130 | 157.9 | -71.1 | 176.8 | 0 | 0 | 0 | 105.9 | ||
| 87 | N | 28.2 | Very low | 29.6 | Very low | 136 Ų | 136 | 147 Ų | 147 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 62.3 | 88.5 | -179.2 | -52.1 | -25.6 | 0 | 0 | 0 | 116 | ||
| 88 | L | 31 | Very low | 29.9 | Very low | 156 Ų | 156 | 143.9 Ų | 143.9 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | trans | -174.7 | 58.2 | 143.6 | -105.2 | 164.4 | 0 | 0 | 0 | 115.6 | ||||
| 89 | I | 32.2 | Very low | 30.1 | Very low | 179 Ų | 179 | 141 Ų | 141 | 92% | 0.918 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -133.3 | 81.3 | 133.7 | -58.2 | -173.3 | 0 | 0 | 0 | 106.9 | ||
| 90 | T | 29 | Very low | 30.5 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | trans | -135.7 | 130 | 171.3 | 22.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 91 | G | 27.7 | Very low | 30.8 | Very low | 59 Ų | 59 | 137.8 Ų | 137.8 | 61% | 0.608 | 76% | 0.756 | S | S | * | * | trans | 116.9 | 50.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 92 | L | 30.6 | Very low | 31 | Very low | 178 Ų | 178 | 140.7 Ų | 140.7 | 93% | 0.932 | 75% | 0.753 | S | S | * | * | trans | -121.8 | 112.6 | 131.9 | -64.9 | 175.7 | 0 | 0 | 0 | 104.9 | ||||
| 93 | K | 27.1 | Very low | 31 | Very low | 174 Ų | 174 | 139 Ų | 139 | 76% | 0.757 | 74% | 0.743 | S | S | * | * | cis | 62.3 | 73.3 | 11.9 | -99 | -160.8 | 175.5 | -172.7 | 0 | 114.5 | ||||
| 94 | N | 26.3 | Very low | 31.1 | Very low | 131 Ų | 131 | 134 Ų | 134 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | 164.7 | 146.2 | 100.1 | -85 | -0.3 | 0 | 0 | 0 | 111.3 | |||||
| 95 | N | 26.8 | Very low | 31.1 | Very low | 134 Ų | 134 | 133.7 Ų | 133.7 | 72% | 0.717 | 73% | 0.729 | S | S | * | * | trans | 74.1 | 113.6 | 151.9 | -66.8 | 19.7 | 0 | 0 | 0 | 120 | ||||
| 96 | N | 28.8 | Very low | 31.2 | Very low | 130 Ų | 130 | 133.7 Ų | 133.7 | 70% | 0.695 | 72% | 0.723 | S | S | * | * | 94.8 | 109.9 | 129.1 | -68.7 | 33.4 | 0 | 0 | 0 | 119.7 | |||||
| 97 | N | 30.4 | Very low | 31.2 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 62% | 0.615 | 72% | 0.72 | S | S | * | * | 95.9 | 119 | 120.4 | -79.4 | 64 | 0 | 0 | 0 | 119.8 | |||||
| 98 | D | 33.9 | Very low | 31.5 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 63% | 0.631 | 72% | 0.722 | S | S | * | * | trans | 75.9 | 128.6 | 132.1 | -46.4 | -4.8 | 0 | 0 | 0 | 118.5 | ||||
| 99 | D | 36.4 | Very low | 31.6 | Very low | 126 Ų | 126 | 135 Ų | 135 | 67% | 0.674 | 72% | 0.721 | S | S | * | * | cis | -158.5 | 158 | -8.1 | -92.7 | -29.7 | 0 | 0 | 0 | 109.9 | ||||
| 100 | D | 36.7 | Very low | 31.7 | Very low | 144 Ų | 144 | 134.2 Ų | 134.2 | 77% | 0.77 | 71% | 0.714 | S | S | * | * | trans | 43.7 | 157.6 | 143.5 | -55.9 | -7.8 | 0 | 0 | 0 | 123.3 | ||||
| 101 | D | 35.4 | Very low | 32 | Very low | 137 Ų | 137 | 135.5 Ų | 135.5 | 73% | 0.733 | 72% | 0.716 | S | S | * | * | cis | -169.2 | 172.8 | -40.5 | -141.7 | 9.5 | 0 | 0 | 0 | 105.9 | ||||
| 102 | E | 35.4 | Very low | 32.2 | Very low | 155 Ų | 155 | 139.5 Ų | 139.5 | 72% | 0.724 | 72% | 0.72 | S | S | * | * | cis | -120.4 | -178.3 | 0.5 | -93.9 | -140.3 | 65.6 | 0 | 0 | 109.1 | ||||
| 103 | T | 32.5 | Very low | 32.3 | Very low | 97 Ų | 97 | 140.1 Ų | 140.1 | 60% | 0.595 | 72% | 0.719 | S | S | * | * | cis | 78.6 | 163.5 | 18.2 | 53.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 104 | S | 32.1 | Very low | 32.5 | Very low | 82 Ų | 82 | 139.2 Ų | 139.2 | 57% | 0.573 | 72% | 0.721 | S | S | * | * | -165.5 | 172.7 | -66.6 | 58.1 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 105 | L | 31 | Very low | 32.9 | Very low | 142 Ų | 142 | 139.3 Ų | 139.3 | 74% | 0.743 | 72% | 0.721 | S | S | * | * | trans | 68.6 | 169.8 | 165.6 | -54.1 | 164.2 | 0 | 0 | 0 | 114.3 | ||||
| 106 | I | 34.7 | Very low | 34 | Very low | 148 Ų | 148 | 137.6 Ų | 137.6 | 76% | 0.759 | 71% | 0.711 | S | S | * | * | cis | -140.2 | 124.1 | 15.5 | -63.2 | 168.1 | 0 | 0 | 0 | 105.3 | ||||
| 107 | D | 29.7 | Very low | 35.4 | Very low | 131 Ų | 131 | 139 Ų | 139 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | 76 | 148.8 | 75.6 | -79.4 | -44.9 | 0 | 0 | 0 | 117.1 | |||||
| 108 | E | 33.6 | Very low | 37.2 | Very low | 167 Ų | 167 | 135.2 Ų | 135.2 | 78% | 0.78 | 69% | 0.693 | S | S | * | * | trans | 84.6 | 122.9 | 164.1 | -71 | 167.9 | -171.9 | 0 | 0 | 123.7 | ||||
| 109 | E | 33.9 | Very low | 39.2 | Very low | 169 Ų | 169 | 132.8 Ų | 132.8 | 79% | 0.79 | 68% | 0.677 | S | S | * | * | trans | 60.6 | 151.8 | 136.2 | -65.5 | -176.9 | 178.3 | 0 | 0 | 123.3 | ||||
| 110 | E | 34.7 | Very low | 40.8 | Very low | 164 Ų | 164 | 133.3 Ų | 133.3 | 77% | 0.766 | 68% | 0.675 | S | S | * | * | cis | -155.5 | -148.1 | -34.4 | -147.6 | -177.6 | -157.2 | 0 | 0 | 109.1 | ||||
| 111 | D | 35.3 | Very low | 42.7 | Very low | 144 Ų | 144 | 135 Ų | 135 | 77% | 0.77 | 67% | 0.672 | S | S | * | * | trans | 62.7 | 108.6 | -178 | -70.9 | -26.7 | 0 | 0 | 0 | 117 | ||||
| 112 | M | 31.3 | Very low | 44.7 | Very low | 143 Ų | 143 | 129.2 Ų | 129.2 | 70% | 0.704 | 64% | 0.641 | S | S | * | * | cis | 105.4 | 101.1 | 22.1 | -165.6 | -161.5 | -36.6 | 0 | 0 | 113.8 | ||||
| 113 | E | 31.5 | Very low | 46.6 | Very low | 191 Ų | 191 | 125 Ų | 125 | 89% | 0.893 | 63% | 0.627 | S | S | * | * | trans | -144.7 | 141.4 | 156.1 | -140 | 179.3 | -152.2 | 0 | 0 | 110.6 | ||||
| 114 | L | 31.2 | Very low | 48.5 | Very low | 156 Ų | 156 | 123.5 Ų | 123.5 | 82% | 0.817 | 62% | 0.616 | S | S | * | * | trans | -82 | 135.9 | -163.6 | -82.6 | 69.3 | 0 | 0 | 0 | 113.8 | ||||
| 115 | I | 36.5 | Very low | 50.8 | Low | 133 Ų | 133 | 120.7 Ų | 120.7 | 68% | 0.682 | 60% | 0.595 | S | S | * | * | trans | -128.8 | 93.6 | 173.6 | -62.9 | 175.5 | 0 | 0 | 0 | 109.5 | R195 | I115-R195 VanDerWaalsContact CG2-NH2 3.27Š| ||
| 116 | D | 48.7 | Very low | 53 | Low | 98 Ų | 98 | 116.2 Ų | 116.2 | 52% | 0.524 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -59.9 | 130.7 | -169.3 | -172.7 | 39.7 | 0 | 0 | 0 | 114.9 | K119 M122 R195 | D116-K119 IonicContact OD1-NZ 2.7Å; D116-K119 PolarHBondContact OD1-NZ 3.01Å; D116-K119 IonicContact OD2-NZ 2.69Å; D116-K119 PolarHBondContact OD2-NZ 2.9Å; D116-M122 WeakPolarHBondContact OD2-CE 3.49Å; D116-R195 PolarHBondContact O-NH2 3.25Å |
| 117 | E | 59.2 | Low | 54.7 | Low | 158 Ų | 158 | 114.4 Ų | 114.4 | 74% | 0.738 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 144 | -175.3 | -65.6 | -164.5 | 126.8 | 0 | 0 | 113.6 | K119 M122 | E117-K119 WeakPolarHBondContact O-CE 3.46Å; E117-K119 PolarHBondContact O-N 3.45Å; E117-M122 WeakPolarHBondContact O-CE 3.48Å |
| 118 | L | 68.5 | Low | 55.7 | Low | 37 Ų | 37 | 111.7 Ų | 111.7 | 19% | 0.194 | 55% | 0.545 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 120.3 | 174.5 | -70.6 | 176.2 | 0 | 0 | 0 | 110.7 | M122 V125 L187 | L118-M122 HydrophobicContact CD2-SD 4.11Å; L118-V125 HydrophobicContact CB-CG1 4.45Å; L118-V125 HydrophobicContact CB-CG2 4.45Å; L118-V125 HydrophobicContact CD2-CG2 4.01Å; L118-L187 WeakPolarHBondContact O-CD1 3.47Å |
| 119 | K | 75 | Confident | 56.5 | Low | 66 Ų | 66 | 109.1 Ų | 109.1 | 29% | 0.287 | 54% | 0.541 | S | S | . | . | trans | -107.6 | 149.8 | -177.7 | -63.7 | 157.6 | -159.2 | 130 | 0 | 110.5 | D116 E117 Y121 M122 | D116-K119 IonicContact OD1-NZ 2.7Å; D116-K119 PolarHBondContact OD1-NZ 3.01Å; D116-K119 IonicContact OD2-NZ 2.69Å; D116-K119 PolarHBondContact OD2-NZ 2.9Å; E117-K119 WeakPolarHBondContact O-CE 3.46Å; E117-K119 PolarHBondContact O-N 3.45Å; K119-Y121 HydrophobicContact CB-CD1 3.85Å; K119-Y121 HydrophobicContact CB-CE1 3.5Å; K119-Y121 HydrophobicContact CD-CE1 3.77Å; K119-Y121 WeakPolarHBondContact CD-OH 3.35Å; K119-Y121 HydrophobicContact CG-CE1 4.14Å; K119-Y121 PolarHBondContact O-N 3.07Å; K119-M122 HydrophobicContact CB-CE 4.31Å; K119-M122 HydrophobicContact CB-CG 4.21Å; K119-M122 HydrophobicContact CB-SD 4.41Å; K119-M122 HydrophobicContact CD-CE 4.04Å; K119-M122 HydrophobicContact CG-CE 4.32Å; K119-M122 PolarHBondContact N-SD 3.3Å; K119-M122 VanDerWaalsContact N-SD 3.43Å; K119-M122 VanDerWaalsContact O-CB 3.32Å; K119-M122 WeakPolarHBondContact O-CB 3.1Å; K119-M122 PolarHBondContact O-N 3.39Å | ||
| 120 | E | 70.1 | Confident | 56.8 | Low | 137 Ų | 137 | 103.2 Ų | 103.2 | 64% | 0.64 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -22.9 | -173.6 | -174.5 | 173.1 | -178.8 | 0 | 0 | 114.4 | F127 L187 | E120-F127 VanDerWaalsContact CD-CZ 3.46Å; E120-F127 HydrophobicContact CG-CE2 4.06Å; E120-F127 HydrophobicContact CG-CZ 4.01Å; E120-F127 VanDerWaalsContact OE1-CE2 3.31Å; E120-F127 WeakPolarHBondContact OE1-CE2 3.21Å; E120-F127 WeakPolarHBondContact OE1-CZ 3.03Å; E120-L187 HydrophobicContact CB-CD2 4.39Å |
| 121 | Y | 76.9 | Confident | 57.3 | Low | 179 Ų | 179 | 98.7 Ų | 98.7 | 70% | 0.702 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -7.6 | 176.9 | 66.1 | -100.1 | 0 | 0 | 0 | 114.5 | K119 | K119-Y121 HydrophobicContact CB-CD1 3.85Å; K119-Y121 HydrophobicContact CB-CE1 3.5Å; K119-Y121 HydrophobicContact CD-CE1 3.77Å; K119-Y121 WeakPolarHBondContact CD-OH 3.35Å; K119-Y121 HydrophobicContact CG-CE1 4.14Å; K119-Y121 PolarHBondContact O-N 3.07Å |
| 122 | M | 77.5 | Confident | 57.4 | Low | 16 Ų | 16 | 97.9 Ų | 97.9 | 8% | 0.079 | 49% | 0.489 | C | S | . | . | S | Bend | trans | -76.5 | 145.7 | -177.6 | -68.6 | -178.2 | 172 | 0 | 0 | 111.6 | D116 E117 L118 K119 N124 V125 | D116-M122 WeakPolarHBondContact OD2-CE 3.49Å; E117-M122 WeakPolarHBondContact O-CE 3.48Å; L118-M122 HydrophobicContact CD2-SD 4.11Å; K119-M122 HydrophobicContact CB-CE 4.31Å; K119-M122 HydrophobicContact CB-CG 4.21Å; K119-M122 HydrophobicContact CB-SD 4.41Å; K119-M122 HydrophobicContact CD-CE 4.04Å; K119-M122 HydrophobicContact CG-CE 4.32Å; K119-M122 PolarHBondContact N-SD 3.3Å; K119-M122 VanDerWaalsContact N-SD 3.43Å; K119-M122 VanDerWaalsContact O-CB 3.32Å; K119-M122 WeakPolarHBondContact O-CB 3.1Å; K119-M122 PolarHBondContact O-N 3.39Å; M122-N124 PolarHBondContact O-N 2.04Å; M122-V125 HydrophobicContact CB-CG2 3.81Å; M122-V125 PolarHBondContact O-N 3.21Å |
| 123 | P | 73.9 | Confident | 57.8 | Low | 67 Ų | 67 | 94.8 Ų | 94.8 | 44% | 0.435 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 137 | -175.7 | 25.9 | -34.7 | 0 | 0 | 0 | 112.3 | V125 E200 C202 | P123-V125 VanDerWaalsContact C-N 3.27Å; P123-V125 PolarHBondContact O-N 3.31Å; P123-E200 WeakPolarHBondContact CG-O 3.44Å; P123-C202 PolarHBondContact O-N 3.19Å |
| 124 | N | 73.7 | Confident | 58.4 | Low | 66 Ų | 66 | 94.4 Ų | 94.4 | 35% | 0.353 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 31.2 | 177.6 | -39.6 | -60.9 | 0 | 0 | 0 | 114.9 | M122 C190 F193 C202 | M122-N124 PolarHBondContact O-N 2.04Å; N124-C190 PolarHBondContact O-N 2.81Å; N124-C190 PolarHBondContact O-SG 3Å; N124-C190 VanDerWaalsContact O-SG 3.35Å; N124-F193 HydrophobicContact CB-CB 4.1Å; N124-F193 HydrophobicContact CB-CD1 3.33Å; N124-F193 HydrophobicContact CB-CD2 4.02Å; N124-F193 HydrophobicContact CB-CE1 3.66Å; N124-F193 HydrophobicContact CB-CE2 4.3Å; N124-F193 HydrophobicContact CB-CG 3.55Å; N124-F193 HydrophobicContact CB-CZ 4.13Å; N124-F193 WeakPolarHBondContact ND2-CD1 3.29Å; N124-F193 VanDerWaalsContact ND2-CE1 3.33Å; N124-F193 WeakPolarHBondContact ND2-CE1 3.25Å; N124-F193 WeakPolarHBondContact OD1-CE1 3.39Å; N124-C202 HydrophobicContact CB-CB 4.24Å; N124-C202 WeakPolarHBondContact CB-O 3.05Å; N124-C202 PolarHBondContact ND2-O 2.96Å |
| 125 | V | 79.8 | Confident | 59.1 | Low | 22 Ų | 22 | 93.6 Ų | 93.6 | 13% | 0.133 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 131.3 | 167 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | L118 M122 P123 L187 R188 | L118-V125 HydrophobicContact CB-CG1 4.45Å; L118-V125 HydrophobicContact CB-CG2 4.45Å; L118-V125 HydrophobicContact CD2-CG2 4.01Å; M122-V125 HydrophobicContact CB-CG2 3.81Å; M122-V125 PolarHBondContact O-N 3.21Å; P123-V125 VanDerWaalsContact C-N 3.27Å; P123-V125 PolarHBondContact O-N 3.31Å; V125-L187 HydrophobicContact CG1-CB 4.09Å; V125-L187 HydrophobicContact CG1-CD2 3.84Å; V125-R188 CarbonylContact C-O 3.35Å; V125-R188 WeakPolarHBondContact CA-O 3.3Å; V125-R188 WeakPolarHBondContact CG1-O 3.33Å |
| 126 | C | 76.6 | Confident | 59.8 | Low | 48 Ų | 48 | 93 Ų | 93 | 32% | 0.324 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 153.4 | -179.6 | -81.8 | 0 | 0 | 0 | 0 | 111.3 | E128 R188 C190 | C126-E128 PolarHBondContact O-N 2.92Å; C126-R188 PolarHBondContact N-O 3.38Å; C126-R188 PolarHBondContact O-N 3.41Å; C126-C190 HydrophobicContact CB-CB 3.93Å; C126-C190 WeakPolarHBondContact CB-SG 3.48Å; C126-C190 PolarHBondContact N-SG 2.9Å; C126-C190 VanDerWaalsContact N-SG 3.44Å; C126-C190 VanDerWaalsContact SG-CA 3.57Å; C126-C190 WeakPolarHBondContact SG-CB 3Å; C126-C190 CovalentContact SG-SG 2.04Å; C126-C190 PolarHBondContact SG-SG 3.04Å |
| 127 | F | 71.6 | Confident | 59.8 | Low | 110 Ų | 110 | 97.3 Ų | 97.3 | 48% | 0.482 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 108.1 | 165.9 | -73.3 | -74.1 | 0 | 0 | 0 | 110.4 | E120 L187 | E120-F127 VanDerWaalsContact CD-CZ 3.46Å; E120-F127 HydrophobicContact CG-CE2 4.06Å; E120-F127 HydrophobicContact CG-CZ 4.01Å; E120-F127 VanDerWaalsContact OE1-CE2 3.31Å; E120-F127 WeakPolarHBondContact OE1-CE2 3.21Å; E120-F127 WeakPolarHBondContact OE1-CZ 3.03Å; F127-L187 HydrophobicContact CD1-CD2 3.87Å; F127-L187 HydrophobicContact CD1-CG 4.44Å; F127-L187 HydrophobicContact CE1-CD2 3.61Å; F127-L187 HydrophobicContact CE1-CG 4.13Å; F127-L187 HydrophobicContact CE2-CD2 4.45Å; F127-L187 HydrophobicContact CG-CD2 4.41Å; F127-L187 HydrophobicContact CZ-CD2 3.93Å |
| 128 | E | 49.4 | Very low | 59.9 | Low | 75 Ų | 75 | 94.5 Ų | 94.5 | 35% | 0.35 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 114.4 | 167.5 | -158.8 | 176.1 | -113.4 | 0 | 0 | 108.9 | C126 N130 Q186 R188 | C126-E128 PolarHBondContact O-N 2.92Å; E128-N130 HydrophobicContact CG-CB 4.17Å; E128-N130 PolarHBondContact O-N 3.24Å; E128-N130 PolarHBondContact OE2-ND2 2.93Å; E128-Q186 PolarHBondContact N-O 2.86Å; E128-Q186 VanDerWaalsContact N-O 3.11Å; E128-Q186 PolarHBondContact O-N 3.17Å; E128-R188 WeakPolarHBondContact OE2-CD 3.07Å; E128-R188 IonicContact OE2-CZ 2.73Å; E128-R188 IonicContact OE2-NE 2.73Å; E128-R188 PolarHBondContact OE2-NE 2.04Å; E128-R188 IonicContact OE2-NH1 3.18Å; E128-R188 PolarHBondContact OE2-NH1 2.78Å |
| 129 | T | 50.5 | Low | 60.1 | Low | 112 Ų | 112 | 99.7 Ų | 99.7 | 69% | 0.687 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 79.5 | 164.4 | 33.8 | 0 | 0 | 0 | 0 | 107.6 | P131 | T129-P131 WeakPolarHBondContact O-CD 3.34Å |
| 130 | N | 41.2 | Very low | 59.3 | Low | 45 Ų | 45 | 99.1 Ų | 99.1 | 24% | 0.241 | 46% | 0.464 | C | S | . | . | trans | -88.4 | 103.6 | -176.7 | -163 | -55 | 0 | 0 | 0 | 109.8 | E128 K132 R188 | E128-N130 HydrophobicContact CG-CB 4.17Å; E128-N130 PolarHBondContact O-N 3.24Å; E128-N130 PolarHBondContact OE2-ND2 2.93Å; N130-K132 VanDerWaalsContact C-N 3.29Å; N130-K132 PolarHBondContact O-N 3Å; N130-R188 PolarHBondContact ND2-NH1 3.5Å | ||
| 131 | P | 44.7 | Very low | 59.1 | Low | 69 Ų | 69 | 97.3 Ų | 97.3 | 45% | 0.448 | 46% | 0.456 | S | S | . | . | trans | -81.6 | 74.7 | -169.9 | 35.8 | -35.7 | 0 | 0 | 0 | 110.3 | T129 P133 T181 | T129-P131 WeakPolarHBondContact O-CD 3.34Å; P131-P133 VanDerWaalsContact O-CD 3.31Å; P131-P133 WeakPolarHBondContact O-CD 3.5Å; P131-T181 HydrophobicContact CB-CG2 3.72Å; P131-T181 HydrophobicContact CG-CG2 4.5Å | ||
| 132 | K | 37.8 | Very low | 57.9 | Low | 127 Ų | 127 | 92.5 Ų | 92.5 | 55% | 0.552 | 44% | 0.442 | S | S | * | . | trans | -50.6 | 115.5 | -177.4 | -81.4 | -165.7 | 175 | -174.4 | 0 | 110.6 | N130 R134 | N130-K132 VanDerWaalsContact C-N 3.29Å; N130-K132 PolarHBondContact O-N 3Å; K132-R134 PolarHBondContact O-N 3.03Å | ||
| 133 | P | 40.3 | Very low | 57.3 | Low | 79 Ų | 79 | 95.7 Ų | 95.7 | 51% | 0.513 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 86.1 | -170 | 30.9 | -35.3 | 0 | 0 | 0 | 110.1 | P131 Q135 F179 | P131-P133 VanDerWaalsContact O-CD 3.31Å; P131-P133 WeakPolarHBondContact O-CD 3.5Å; P133-Q135 PolarHBondContact O-N 3.01Å; P133-F179 HydrophobicContact CB-CB 3.69Å; P133-F179 HydrophobicContact CB-CD1 3.62Å; P133-F179 HydrophobicContact CB-CE1 4.41Å; P133-F179 HydrophobicContact CB-CG 3.8Å; P133-F179 WeakPolarHBondContact O-CD1 3.26Å |
| 134 | R | 43.7 | Very low | 56.4 | Low | 182 Ų | 182 | 97.4 Ų | 97.4 | 69% | 0.687 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 121.9 | 173 | -87 | -169 | 170.7 | -166.7 | -2 | 109.1 | K132 Y136 K180 | K132-R134 PolarHBondContact O-N 3.03Å; R134-Y136 HydrophobicContact CB-CD2 4.36Å; R134-Y136 HydrophobicContact CB-CE2 3.93Å; R134-Y136 WeakPolarHBondContact O-CD2 3.36Å; R134-Y136 PolarHBondContact O-N 2.78Å; R134-K180 PolarHBondContact O-N 3.47Å |
| 135 | Q | 46 | Very low | 56.2 | Low | 139 Ų | 139 | 98.5 Ų | 98.5 | 65% | 0.65 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 116.5 | 170.7 | -72 | -169.7 | -7.6 | 0 | 0 | 109.8 | P133 T177 F179 | P133-Q135 PolarHBondContact O-N 3.01Å; Q135-T177 HydrophobicContact CB-CG2 4.02Å; Q135-T177 HydrophobicContact CG-CG2 3.61Å; Q135-F179 HydrophobicContact CG-CD1 4.14Å; Q135-F179 HydrophobicContact CG-CE1 3.62Å |
| 136 | Y | 51.6 | Low | 55 | Low | 121 Ų | 121 | 102.8 Ų | 102.8 | 48% | 0.475 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 127 | 160.6 | -73.8 | -96.4 | 0 | 0 | 0 | 108.1 | R134 Q138 V178 K180 | R134-Y136 HydrophobicContact CB-CD2 4.36Å; R134-Y136 HydrophobicContact CB-CE2 3.93Å; R134-Y136 WeakPolarHBondContact O-CD2 3.36Å; R134-Y136 PolarHBondContact O-N 2.78Å; Y136-Q138 VanDerWaalsContact C-N 3.34Å; Y136-Q138 PolarHBondContact O-N 3.37Å; Y136-V178 PolarHBondContact N-O 3.06Å; Y136-V178 PolarHBondContact O-N 3.35Å; Y136-K180 HydrophobicContact CD2-CB 3.72Å; Y136-K180 HydrophobicContact CD2-CD 4.45Å; Y136-K180 HydrophobicContact CD2-CG 4.22Å; Y136-K180 HydrophobicContact CE2-CB 3.79Å |
| 137 | R | 48.2 | Very low | 54.6 | Low | 188 Ų | 188 | 105.7 Ų | 105.7 | 71% | 0.709 | 50% | 0.5 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 87.3 | 168.7 | -75.7 | -172.8 | 174.8 | -176.5 | -0.8 | 108.8 | R139 Y175 | R137-R139 PolarHBondContact O-N 2.99Å; R137-Y175 HydrophobicContact CB-CD1 3.95Å; R137-Y175 HydrophobicContact CB-CG 4.49Å |
| 138 | Q | 60.8 | Low | 54.4 | Low | 99 Ų | 99 | 101.7 Ų | 101.7 | 46% | 0.463 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 118.7 | 172.4 | -179.7 | 172.9 | 1.4 | 0 | 0 | 108.9 | Y136 I140 K176 V178 | Y136-Q138 VanDerWaalsContact C-N 3.34Å; Y136-Q138 PolarHBondContact O-N 3.37Å; Q138-I140 HydrophobicContact CG-CG1 4.03Å; Q138-I140 PolarHBondContact O-N 3.36Å; Q138-I140 VanDerWaalsContact O-N 3.1Å; Q138-K176 PolarHBondContact N-O 3.33Å; Q138-K176 PolarHBondContact O-N 3.1Å; Q138-V178 HydrophobicContact CB-CG1 4.28Å; Q138-V178 HydrophobicContact CB-CG2 3.58Å |
| 139 | R | 72.3 | Confident | 55.7 | Low | 146 Ų | 146 | 106.3 Ų | 106.3 | 55% | 0.551 | 50% | 0.499 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 101.1 | 172.8 | -169.6 | -175 | -174.9 | -111.3 | 4.8 | 108.7 | R137 V173 | R137-R139 PolarHBondContact O-N 2.99Å; R139-V173 HydrophobicContact CG-CG1 3.65Å |
| 140 | I | 59.4 | Low | 56.4 | Low | 54 Ų | 54 | 102.2 Ų | 102.2 | 28% | 0.277 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 131.4 | 172.2 | -59.6 | -167.7 | 0 | 0 | 0 | 108.1 | Q138 I142 H174 K176 | Q138-I140 HydrophobicContact CG-CG1 4.03Å; Q138-I140 PolarHBondContact O-N 3.36Å; Q138-I140 VanDerWaalsContact O-N 3.1Å; I140-I142 HydrophobicContact CG2-CG1 3.96Å; I140-H174 PolarHBondContact N-O 3.28Å; I140-H174 PolarHBondContact O-N 3.3Å; I140-H174 VanDerWaalsContact O-O 3.12Å; I140-K176 HydrophobicContact CD1-CB 3.51Å; I140-K176 HydrophobicContact CD1-CD 3.66Å; I140-K176 HydrophobicContact CD1-CG 4.18Å; I140-K176 HydrophobicContact CG1-CB 3.97Å |
| 141 | Q | 64.5 | Low | 57.9 | Low | 100 Ų | 100 | 107.4 Ų | 107.4 | 47% | 0.467 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 98 | 172 | -75.2 | -177.9 | -94.8 | 0 | 0 | 107.9 | P143 Y171 | Q141-P143 WeakPolarHBondContact O-CD 3.39Å; Q141-Y171 HydrophobicContact CB-CD1 3.89Å; Q141-Y171 HydrophobicContact CB-CG 4.26Å |
| 142 | I | 51.8 | Low | 59 | Low | 78 Ų | 78 | 106.1 Ų | 106.1 | 40% | 0.4 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 118.3 | 176.3 | -57.1 | 179.6 | 0 | 0 | 0 | 107.6 | I140 Y144 Y171 A172 H174 | I140-I142 HydrophobicContact CG2-CG1 3.96Å; I142-Y144 PolarHBondContact O-N 3.18Å; I142-Y171 WeakPolarHBondContact O-CA 3.29Å; I142-A172 HydrophobicContact CB-CB 4.4Å; I142-A172 PolarHBondContact N-O 2.72Å; I142-A172 PolarHBondContact O-N 2.82Å; I142-H174 HydrophobicContact CD1-CB 3.68Å; I142-H174 HydrophobicContact CG1-CB 4.11Å |
| 143 | P | 66.3 | Low | 60.7 | Low | 82 Ų | 82 | 103.2 Ų | 103.2 | 53% | 0.532 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 127.3 | 173.8 | 29.3 | -32.2 | 0 | 0 | 0 | 109.7 | Q141 T169 H170 Y171 | Q141-P143 WeakPolarHBondContact O-CD 3.39Å; P143-T169 HydrophobicContact CB-CG2 3.32Å; P143-H170 WeakPolarHBondContact CA-O 3.32Å; P143-Y171 HydrophobicContact CB-CD1 4.36Å; P143-Y171 HydrophobicContact CB-CE1 4.1Å |
| 144 | Y | 53.6 | Low | 62 | Low | 103 Ų | 103 | 104.1 Ų | 104.1 | 40% | 0.404 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 131.6 | 168.6 | 72.9 | -79.4 | 0 | 0 | 0 | 109.7 | I142 K146 H170 A172 | I142-Y144 PolarHBondContact O-N 3.18Å; Y144-K146 HydrophobicContact CD2-CB 4.26Å; Y144-K146 HydrophobicContact CE2-CB 3.95Å; Y144-K146 HydrophobicContact CE2-CD 4.13Å; Y144-K146 PolarHBondContact O-N 2.84Å; Y144-H170 HydrophobicContact CD1-CB 3.9Å; Y144-H170 WeakPolarHBondContact CD1-O 3.13Å; Y144-H170 HydrophobicContact CD2-CB 4.48Å; Y144-H170 HydrophobicContact CE1-CB 3.33Å; Y144-H170 HydrophobicContact CE2-CB 4.02Å; Y144-H170 HydrophobicContact CG-CB 4.44Å; Y144-H170 VanDerWaalsContact CZ-CB 3.4Å; Y144-H170 PolarHBondContact N-O 3.44Å; Y144-H170 PolarHBondContact O-N 2.92Å; Y144-A172 HydrophobicContact CD1-CB 3.79Å; Y144-A172 HydrophobicContact CE1-CB 3.75Å |
| 145 | T | 69.7 | Low | 62.4 | Low | 89 Ų | 89 | 96 Ų | 96 | 55% | 0.546 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 122.1 | 173.9 | 30.8 | 0 | 0 | 0 | 0 | 109.4 | E167 | T145-E167 HydrophobicContact CG2-CB 4.32Å |
| 146 | K | 54.6 | Low | 62.9 | Low | 112 Ų | 112 | 95 Ų | 95 | 49% | 0.487 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 128.6 | 171 | -172.5 | 176.2 | -173.4 | 167.8 | 0 | 108.7 | Y144 T148 Q168 | Y144-K146 HydrophobicContact CD2-CB 4.26Å; Y144-K146 HydrophobicContact CE2-CB 3.95Å; Y144-K146 HydrophobicContact CE2-CD 4.13Å; Y144-K146 PolarHBondContact O-N 2.84Å; K146-T148 VanDerWaalsContact C-N 3.34Å; K146-T148 PolarHBondContact O-N 2.92Å; K146-T148 PolarHBondContact O-OG1 3.49Å; K146-Q168 PolarHBondContact N-O 2.95Å; K146-Q168 PolarHBondContact O-N 3.49Å; K146-Q168 VanDerWaalsContact O-N 3.11Å |
| 147 | L | 69.5 | Low | 62.7 | Low | 109 Ų | 109 | 90.3 Ų | 90.3 | 57% | 0.571 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 99.2 | 166.9 | -71.2 | 173.9 | 0 | 0 | 0 | 108.4 | Y165 E167 | L147-Y165 HydrophobicContact CB-CD1 4.23Å; L147-E167 HydrophobicContact CD2-CG 3.87Å |
| 148 | T | 67.3 | Low | 63.4 | Low | 27 Ų | 27 | 90 Ų | 90 | 17% | 0.166 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 138.1 | -171 | -56.6 | 0 | 0 | 0 | 0 | 108.9 | K146 V150 Y165 K166 H170 | K146-T148 VanDerWaalsContact C-N 3.34Å; K146-T148 PolarHBondContact O-N 2.92Å; K146-T148 PolarHBondContact O-OG1 3.49Å; T148-V150 VanDerWaalsContact C-N 3.28Å; T148-V150 HydrophobicContact CG2-CG2 4.46Å; T148-V150 PolarHBondContact O-N 2.03Å; T148-Y165 WeakPolarHBondContact O-CA 3.38Å; T148-K166 PolarHBondContact N-O 3.04Å; T148-K166 PolarHBondContact O-N 3.38Å; T148-H170 PolarHBondContact OG1-CD2 2.83Å; T148-H170 PolarHBondContact OG1-NE2 2.9Å |
| 149 | R | 75 | Confident | 63.6 | Low | 171 Ų | 171 | 88.1 Ų | 88.1 | 65% | 0.645 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 84.9 | 175.9 | -75.6 | -167.8 | -90.3 | 176.8 | -7.5 | 109.2 | I163 Y165 | R149-I163 HydrophobicContact CB-CG2 3.43Å; R149-I163 VanDerWaalsContact CB-CG2 3.43Å; R149-I163 HydrophobicContact CG-CG2 3.47Å; R149-I163 VanDerWaalsContact CG-CG2 3.47Å; R149-Y165 HydrophobicContact CG-CD1 4.33Å; R149-Y165 HydrophobicContact CG-CE1 3.84Å |
| 150 | V | 66.5 | Low | 62.6 | Low | 26 Ų | 26 | 84.3 Ų | 84.3 | 16% | 0.158 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 121.1 | 177.3 | 178.5 | 0 | 0 | 0 | 0 | 108.2 | T148 E152 I163 K164 K166 Q168 | T148-V150 VanDerWaalsContact C-N 3.28Å; T148-V150 HydrophobicContact CG2-CG2 4.46Å; T148-V150 PolarHBondContact O-N 2.03Å; V150-E152 PolarHBondContact O-N 2.97Å; V150-E152 VanDerWaalsContact O-N 3.07Å; V150-I163 WeakPolarHBondContact O-CA 3.35Å; V150-K164 PolarHBondContact N-O 3.48Å; V150-K164 PolarHBondContact O-N 3.13Å; V150-K166 HydrophobicContact CB-CB 4.08Å; V150-K166 HydrophobicContact CG2-CB 3.72Å; V150-Q168 HydrophobicContact CG2-CG 3.86Å |
| 151 | W | 72.9 | Confident | 62.9 | Low | 154 Ų | 154 | 89.3 Ų | 89.3 | 58% | 0.583 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 98.3 | 164.4 | -71.7 | 107.8 | 0 | 0 | 0 | 108.6 | W161 C162 I163 | W151-W161 HydrophobicContact CB-CE3 3.81Å; W151-W161 HydrophobicContact CB-CZ3 4.3Å; W151-W161 HydrophobicContact CE3-CB 3.78Å; W151-W161 HydrophobicContact CZ3-CB 4.27Å; W151-C162 WeakPolarHBondContact CA-O 3.25Å; W151-I163 HydrophobicContact CD2-CD1 4.46Å; W151-I163 HydrophobicContact CD2-CG1 3.74Å; W151-I163 HydrophobicContact CE3-CG1 3.72Å; W151-I163 HydrophobicContact CG-CG1 4.48Å; W151-I163 HydrophobicContact CH2-CD1 3.96Å; W151-I163 HydrophobicContact CH2-CG1 3.92Å; W151-I163 HydrophobicContact CZ2-CD1 3.75Å; W151-I163 HydrophobicContact CZ2-CG1 3.9Å; W151-I163 HydrophobicContact CZ3-CD1 4.38Å; W151-I163 HydrophobicContact CZ3-CG1 3.83Å |
| 152 | E | 67.7 | Low | 62.8 | Low | 43 Ų | 43 | 86.7 Ų | 86.7 | 20% | 0.201 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 119.3 | 175 | -163.6 | 159.8 | -93.7 | 0 | 0 | 108 | V150 C155 W161 C162 K164 K166 | V150-E152 PolarHBondContact O-N 2.97Å; V150-E152 VanDerWaalsContact O-N 3.07Å; E152-C155 PolarHBondContact O-SG 3.11Å; E152-W161 WeakPolarHBondContact O-CA 2.97Å; E152-C162 PolarHBondContact N-O 3.16Å; E152-C162 PolarHBondContact O-N 2.03Å; E152-C162 VanDerWaalsContact O-N 3.11Å; E152-K164 VanDerWaalsContact OE2-CD 3.32Å; E152-K164 WeakPolarHBondContact OE2-CD 3.38Å; E152-K164 WeakPolarHBondContact OE2-CE 3.03Å; E152-K164 IonicContact OE2-NZ 3.41Å; E152-K164 PolarHBondContact OE2-NZ 2.95Å; E152-K166 IonicContact OE1-NZ 3.04Å; E152-K166 PolarHBondContact OE1-NZ 2.97Å |
| 153 | P | 73 | Confident | 63.2 | Low | 66 Ų | 66 | 86.2 Ų | 86.2 | 43% | 0.429 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 156.6 | 171.8 | 32.4 | -34.5 | 0 | 0 | 0 | 109.2 | C155 W161 | P153-C155 VanDerWaalsContact C-N 3.3Å; P153-C155 PolarHBondContact O-N 2.71Å; P153-W161 HydrophobicContact CB-CD2 4.03Å; P153-W161 HydrophobicContact CB-CE3 3.91Å; P153-W161 HydrophobicContact CB-CH2 4.47Å; P153-W161 HydrophobicContact CB-CZ3 4.16Å; P153-W161 HydrophobicContact CG-CE3 4.34Å; P153-W161 HydrophobicContact CG-CZ3 4.22Å |
| 154 | N | 66.9 | Low | 63 | Low | 97 Ų | 97 | 86.9 Ų | 86.9 | 52% | 0.519 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60 | 39.1 | -175.9 | -58.7 | -6.7 | 0 | 0 | 0 | 113.6 | E156 T157 E158 G159 N160 | N154-E156 VanDerWaalsContact C-N 3.26Å; N154-E156 PolarHBondContact O-N 3.49Å; N154-T157 VanDerWaalsContact CA-O 3.24Å; N154-T157 WeakPolarHBondContact CA-O 3.43Å; N154-T157 PolarHBondContact OD1-O 3.28Å; N154-E158 WeakPolarHBondContact OD1-CA 3.5Å; N154-G159 PolarHBondContact OD1-N 3.44Å; N154-G159 VanDerWaalsContact OD1-N 3.08Å; N154-N160 PolarHBondContact N-O 3.32Å |
| 155 | C | 52.3 | Low | 63.6 | Low | 12 Ų | 12 | 89.1 Ų | 89.1 | 8% | 0.081 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -65.5 | 90.9 | 161.6 | -74 | 0 | 0 | 0 | 0 | 109.4 | E152 P153 T157 N160 C162 | E152-C155 PolarHBondContact O-SG 3.11Å; P153-C155 VanDerWaalsContact C-N 3.3Å; P153-C155 PolarHBondContact O-N 2.71Å; C155-T157 PolarHBondContact O-N 2.86Å; C155-T157 PolarHBondContact O-OG1 3.15Å; C155-N160 PolarHBondContact N-O 2.78Å; C155-C162 HydrophobicContact CB-CB 3.4Å; C155-C162 WeakPolarHBondContact CB-SG 3.25Å; C155-C162 VanDerWaalsContact SG-CA 3.56Å; C155-C162 WeakPolarHBondContact SG-CB 3.28Å; C155-C162 PolarHBondContact SG-N 2.96Å; C155-C162 VanDerWaalsContact SG-N 3.37Å; C155-C162 CovalentContact SG-SG 2.02Å; C155-C162 PolarHBondContact SG-SG 2.87Å |
| 156 | E | 57.2 | Low | 63.3 | Low | 117 Ų | 117 | 89.6 Ų | 89.6 | 55% | 0.547 | 43% | 0.43 | S | S | . | . | S | Bend | trans | 59.1 | -5.9 | 179.9 | -59.6 | 179.3 | 100.5 | 0 | 0 | 115.7 | N154 P1252 S1253 K1270 | N154-E156 VanDerWaalsContact C-N 3.26Å; N154-E156 PolarHBondContact O-N 3.49Å; E156-P1252 HydrophobicContact CB-CB 3.48Å; E156-P1252 VanDerWaalsContact CB-CB 3.48Å; E156-P1252 HydrophobicContact CB-CG 4.49Å; E156-P1252 VanDerWaalsContact CD-CB 3.49Å; E156-P1252 HydrophobicContact CG-CB 4.08Å; E156-P1252 WeakPolarHBondContact OE1-CG 3.42Å; E156-P1252 WeakPolarHBondContact OE2-CG 3.33Å; E156-S1253 WeakPolarHBondContact O-CA 3.17Å; E156-S1253 WeakPolarHBondContact O-CB 3.23Å; E156-S1253 PolarHBondContact O-N 2.79Å; E156-S1253 PolarHBondContact O-OG 2.88Å; E156-K1270 IonicContact OE1-NZ 2.72Å; E156-K1270 PolarHBondContact OE1-NZ 2.89Å |
| 157 | T | 46.8 | Very low | 63.7 | Low | 23 Ų | 23 | 90.8 Ų | 90.8 | 14% | 0.141 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -136.8 | 136.9 | -179.5 | -30.3 | 0 | 0 | 0 | 0 | 112.4 | N154 C155 G159 N160 S1253 G1254 | N154-T157 VanDerWaalsContact CA-O 3.24Å; N154-T157 WeakPolarHBondContact CA-O 3.43Å; N154-T157 PolarHBondContact OD1-O 3.28Å; C155-T157 PolarHBondContact O-N 2.86Å; C155-T157 PolarHBondContact O-OG1 3.15Å; T157-G159 PolarHBondContact O-N 3.17Å; T157-G159 VanDerWaalsContact O-N 3.14Å; T157-N160 WeakPolarHBondContact CB-ND2 3.42Å; T157-N160 PolarHBondContact O-N 2.89Å; T157-N160 PolarHBondContact OG1-ND2 3.48Å; T157-S1253 WeakPolarHBondContact CG2-O 3.29Å; T157-S1253 WeakPolarHBondContact OG1-CA 3.35Å; T157-G1254 PolarHBondContact OG1-N 3.22Å |
| 158 | E | 62.5 | Low | 63.4 | Low | 183 Ų | 183 | 89.5 Ų | 89.5 | 86% | 0.855 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 120.8 | 163.4 | -68.1 | -164.1 | 123.7 | 0 | 0 | 111.5 | N154 | N154-E158 WeakPolarHBondContact OD1-CA 3.5Š|
| 159 | G | 65.3 | Low | 63.5 | Low | 59 Ų | 59 | 91.6 Ų | 91.6 | 61% | 0.608 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.5 | -13 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | N154 T157 | N154-G159 PolarHBondContact OD1-N 3.44Å; N154-G159 VanDerWaalsContact OD1-N 3.08Å; T157-G159 PolarHBondContact O-N 3.17Å; T157-G159 VanDerWaalsContact O-N 3.14Å |
| 160 | N | 50.9 | Low | 62.6 | Low | 66 Ų | 66 | 86.4 Ų | 86.4 | 35% | 0.353 | 42% | 0.424 | S | S | . | . | trans | -82 | 133.5 | 169.6 | -79 | -39.4 | 0 | 0 | 0 | 111.3 | N154 C155 T157 G1254 | N154-N160 PolarHBondContact N-O 3.32Å; C155-N160 PolarHBondContact N-O 2.78Å; T157-N160 WeakPolarHBondContact CB-ND2 3.42Å; T157-N160 PolarHBondContact O-N 2.89Å; T157-N160 PolarHBondContact OG1-ND2 3.48Å; N160-G1254 WeakPolarHBondContact ND2-CA 3.49Å | ||
| 161 | W | 67 | Low | 62.7 | Low | 159 Ų | 159 | 91.5 Ų | 91.5 | 60% | 0.602 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 130.7 | 167.8 | -59.8 | 75.7 | 0 | 0 | 0 | 108.7 | W151 E152 P153 | W151-W161 HydrophobicContact CB-CE3 3.81Å; W151-W161 HydrophobicContact CB-CZ3 4.3Å; W151-W161 HydrophobicContact CE3-CB 3.78Å; W151-W161 HydrophobicContact CZ3-CB 4.27Å; E152-W161 WeakPolarHBondContact O-CA 2.97Å; P153-W161 HydrophobicContact CB-CD2 4.03Å; P153-W161 HydrophobicContact CB-CE3 3.91Å; P153-W161 HydrophobicContact CB-CH2 4.47Å; P153-W161 HydrophobicContact CB-CZ3 4.16Å; P153-W161 HydrophobicContact CG-CE3 4.34Å; P153-W161 HydrophobicContact CG-CZ3 4.22Å |
| 162 | C | 60.9 | Low | 61.3 | Low | 44 Ų | 44 | 86 Ų | 86 | 30% | 0.297 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 154.8 | 167.8 | 84.3 | 0 | 0 | 0 | 0 | 111.4 | W151 E152 C155 K164 | W151-C162 WeakPolarHBondContact CA-O 3.25Å; E152-C162 PolarHBondContact N-O 3.16Å; E152-C162 PolarHBondContact O-N 2.03Å; E152-C162 VanDerWaalsContact O-N 3.11Å; C155-C162 HydrophobicContact CB-CB 3.4Å; C155-C162 WeakPolarHBondContact CB-SG 3.25Å; C155-C162 VanDerWaalsContact SG-CA 3.56Å; C155-C162 WeakPolarHBondContact SG-CB 3.28Å; C155-C162 PolarHBondContact SG-N 2.96Å; C155-C162 VanDerWaalsContact SG-N 3.37Å; C155-C162 CovalentContact SG-SG 2.02Å; C155-C162 PolarHBondContact SG-SG 2.87Å; C162-K164 PolarHBondContact O-N 3.09Å |
| 163 | I | 61 | Low | 60.6 | Low | 68 Ų | 68 | 86.8 Ų | 86.8 | 35% | 0.349 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 102.9 | 171.8 | -64.8 | 176.1 | 0 | 0 | 0 | 107.8 | R149 V150 W151 | R149-I163 HydrophobicContact CB-CG2 3.43Å; R149-I163 VanDerWaalsContact CB-CG2 3.43Å; R149-I163 HydrophobicContact CG-CG2 3.47Å; R149-I163 VanDerWaalsContact CG-CG2 3.47Å; V150-I163 WeakPolarHBondContact O-CA 3.35Å; W151-I163 HydrophobicContact CD2-CD1 4.46Å; W151-I163 HydrophobicContact CD2-CG1 3.74Å; W151-I163 HydrophobicContact CE3-CG1 3.72Å; W151-I163 HydrophobicContact CG-CG1 4.48Å; W151-I163 HydrophobicContact CH2-CD1 3.96Å; W151-I163 HydrophobicContact CH2-CG1 3.92Å; W151-I163 HydrophobicContact CZ2-CD1 3.75Å; W151-I163 HydrophobicContact CZ2-CG1 3.9Å; W151-I163 HydrophobicContact CZ3-CD1 4.38Å; W151-I163 HydrophobicContact CZ3-CG1 3.83Å |
| 164 | K | 61.7 | Low | 59.3 | Low | 96 Ų | 96 | 88.9 Ų | 88.9 | 42% | 0.417 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 143.3 | 163.5 | -68.3 | -167.8 | -169.6 | 161.5 | 0 | 110 | V150 E152 C162 K166 | V150-K164 PolarHBondContact N-O 3.48Å; V150-K164 PolarHBondContact O-N 3.13Å; E152-K164 VanDerWaalsContact OE2-CD 3.32Å; E152-K164 WeakPolarHBondContact OE2-CD 3.38Å; E152-K164 WeakPolarHBondContact OE2-CE 3.03Å; E152-K164 IonicContact OE2-NZ 3.41Å; E152-K164 PolarHBondContact OE2-NZ 2.95Å; C162-K164 PolarHBondContact O-N 3.09Å; K164-K166 VanDerWaalsContact C-N 3.33Å; K164-K166 PolarHBondContact O-N 3.39Å; K164-K166 VanDerWaalsContact O-N 3.1Å |
| 165 | Y | 67.6 | Low | 58.7 | Low | 150 Ų | 150 | 90.2 Ų | 90.2 | 59% | 0.588 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 87.5 | 165.4 | -70.5 | -91 | 0 | 0 | 0 | 108.4 | L147 T148 R149 | L147-Y165 HydrophobicContact CB-CD1 4.23Å; T148-Y165 WeakPolarHBondContact O-CA 3.38Å; R149-Y165 HydrophobicContact CG-CD1 4.33Å; R149-Y165 HydrophobicContact CG-CE1 3.84Å |
| 166 | K | 62.8 | Low | 58.5 | Low | 100 Ų | 100 | 95.3 Ų | 95.3 | 44% | 0.435 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 134.7 | 176.5 | -153.4 | 162.7 | -168.9 | 163 | 0 | 108.2 | T148 V150 E152 K164 Q168 | T148-K166 PolarHBondContact N-O 3.04Å; T148-K166 PolarHBondContact O-N 3.38Å; V150-K166 HydrophobicContact CB-CB 4.08Å; V150-K166 HydrophobicContact CG2-CB 3.72Å; E152-K166 IonicContact OE1-NZ 3.04Å; E152-K166 PolarHBondContact OE1-NZ 2.97Å; K164-K166 VanDerWaalsContact C-N 3.33Å; K164-K166 PolarHBondContact O-N 3.39Å; K164-K166 VanDerWaalsContact O-N 3.1Å; K166-Q168 PolarHBondContact O-N 3.19Å |
| 167 | E | 64 | Low | 58.4 | Low | 137 Ų | 137 | 92.6 Ų | 92.6 | 64% | 0.64 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 107.5 | 163.7 | -70.7 | -162.6 | 121.2 | 0 | 0 | 108.1 | T145 L147 | T145-E167 HydrophobicContact CG2-CB 4.32Å; L147-E167 HydrophobicContact CD2-CG 3.87Å |
| 168 | Q | 62.9 | Low | 58.3 | Low | 81 Ų | 81 | 93 Ų | 93 | 38% | 0.379 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 131.8 | 168.1 | -71.3 | -167.9 | -49.5 | 0 | 0 | 108.5 | K146 V150 K166 H170 | K146-Q168 PolarHBondContact N-O 2.95Å; K146-Q168 PolarHBondContact O-N 3.49Å; K146-Q168 VanDerWaalsContact O-N 3.11Å; V150-Q168 HydrophobicContact CG2-CG 3.86Å; K166-Q168 PolarHBondContact O-N 3.19Å; Q168-H170 PolarHBondContact O-CD2 2.02Å; Q168-H170 PolarHBondContact O-N 2.83Å |
| 169 | T | 67.9 | Low | 57.5 | Low | 71 Ų | 71 | 89.9 Ų | 89.9 | 44% | 0.436 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 96.9 | 166.4 | -50.7 | 0 | 0 | 0 | 0 | 108.3 | P143 Y171 | P143-T169 HydrophobicContact CB-CG2 3.32Å; T169-Y171 HydrophobicContact CG2-CE1 4.26Å |
| 170 | H | 57.4 | Low | 56.8 | Low | 63 Ų | 63 | 93.8 Ų | 93.8 | 29% | 0.292 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 146.1 | 167.3 | -79.1 | -99.9 | 0 | 0 | 0 | 108.9 | P143 Y144 T148 Q168 | P143-H170 WeakPolarHBondContact CA-O 3.32Å; Y144-H170 HydrophobicContact CD1-CB 3.9Å; Y144-H170 WeakPolarHBondContact CD1-O 3.13Å; Y144-H170 HydrophobicContact CD2-CB 4.48Å; Y144-H170 HydrophobicContact CE1-CB 3.33Å; Y144-H170 HydrophobicContact CE2-CB 4.02Å; Y144-H170 HydrophobicContact CG-CB 4.44Å; Y144-H170 VanDerWaalsContact CZ-CB 3.4Å; Y144-H170 PolarHBondContact N-O 3.44Å; Y144-H170 PolarHBondContact O-N 2.92Å; T148-H170 PolarHBondContact OG1-CD2 2.83Å; T148-H170 PolarHBondContact OG1-NE2 2.9Å; Q168-H170 PolarHBondContact O-CD2 2.02Å; Q168-H170 PolarHBondContact O-N 2.83Å |
| 171 | Y | 67.7 | Low | 56.3 | Low | 133 Ų | 133 | 95 Ų | 95 | 52% | 0.522 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 100 | 176.6 | -66.7 | -75.9 | 0 | 0 | 0 | 109 | Q141 I142 P143 T169 V173 | Q141-Y171 HydrophobicContact CB-CD1 3.89Å; Q141-Y171 HydrophobicContact CB-CG 4.26Å; I142-Y171 WeakPolarHBondContact O-CA 3.29Å; P143-Y171 HydrophobicContact CB-CD1 4.36Å; P143-Y171 HydrophobicContact CB-CE1 4.1Å; T169-Y171 HydrophobicContact CG2-CE1 4.26Å; Y171-V173 PolarHBondContact O-N 3.27Å |
| 172 | A | 43.3 | Very low | 55.1 | Low | 37 Ų | 37 | 90.1 Ų | 90.1 | 31% | 0.306 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 117.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | I142 Y144 H174 | I142-A172 HydrophobicContact CB-CB 4.4Å; I142-A172 PolarHBondContact N-O 2.72Å; I142-A172 PolarHBondContact O-N 2.82Å; Y144-A172 HydrophobicContact CD1-CB 3.79Å; Y144-A172 HydrophobicContact CE1-CB 3.75Å; A172-H174 VanDerWaalsContact C-N 3.27Å; A172-H174 PolarHBondContact O-N 3.45Å |
| 173 | V | 53.7 | Low | 54.2 | Low | 60 Ų | 60 | 93.9 Ų | 93.9 | 36% | 0.364 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 83.3 | 175.7 | -177.6 | 0 | 0 | 0 | 0 | 107.9 | R139 Y171 Y175 | R139-V173 HydrophobicContact CG-CG1 3.65Å; Y171-V173 PolarHBondContact O-N 3.27Å; V173-Y175 HydrophobicContact CG1-CE2 4.5Å |
| 174 | H | 44.7 | Very low | 53.4 | Low | 110 Ų | 110 | 94.4 Ų | 94.4 | 51% | 0.509 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 126.4 | 175.6 | -152.5 | -70.9 | 0 | 0 | 0 | 109.3 | I140 I142 A172 K176 | I140-H174 PolarHBondContact N-O 3.28Å; I140-H174 PolarHBondContact O-N 3.3Å; I140-H174 VanDerWaalsContact O-O 3.12Å; I142-H174 HydrophobicContact CD1-CB 3.68Å; I142-H174 HydrophobicContact CG1-CB 4.11Å; A172-H174 VanDerWaalsContact C-N 3.27Å; A172-H174 PolarHBondContact O-N 3.45Å; H174-K176 PolarHBondContact O-N 3.28Å |
| 175 | Y | 54.6 | Low | 52.9 | Low | 126 Ų | 126 | 98.2 Ų | 98.2 | 49% | 0.494 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 101.8 | 168.1 | -63.9 | -77.6 | 0 | 0 | 0 | 107.8 | R137 V173 T177 | R137-Y175 HydrophobicContact CB-CD1 3.95Å; R137-Y175 HydrophobicContact CB-CG 4.49Å; V173-Y175 HydrophobicContact CG1-CE2 4.5Å; Y175-T177 PolarHBondContact O-N 2.93Å |
| 176 | K | 48.1 | Very low | 52.2 | Low | 119 Ų | 119 | 95.1 Ų | 95.1 | 52% | 0.517 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 116.6 | 167.2 | -172.1 | 172.3 | -176.4 | 169.5 | 0 | 107.4 | Q138 I140 H174 V178 | Q138-K176 PolarHBondContact N-O 3.33Å; Q138-K176 PolarHBondContact O-N 3.1Å; I140-K176 HydrophobicContact CD1-CB 3.51Å; I140-K176 HydrophobicContact CD1-CD 3.66Å; I140-K176 HydrophobicContact CD1-CG 4.18Å; I140-K176 HydrophobicContact CG1-CB 3.97Å; H174-K176 PolarHBondContact O-N 3.28Å; K176-V178 HydrophobicContact CB-CG1 4.43Å; K176-V178 HydrophobicContact CD-CG1 4.06Å; K176-V178 HydrophobicContact CG-CG1 3.91Å; K176-V178 PolarHBondContact O-N 3.06Å; K176-V178 VanDerWaalsContact O-N 3.08Å |
| 177 | T | 55 | Low | 52.5 | Low | 60 Ų | 60 | 93.1 Ų | 93.1 | 37% | 0.368 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 108.1 | 165.9 | -58.4 | 0 | 0 | 0 | 0 | 107.5 | Q135 Y175 F179 | Q135-T177 HydrophobicContact CB-CG2 4.02Å; Q135-T177 HydrophobicContact CG-CG2 3.61Å; Y175-T177 PolarHBondContact O-N 2.93Å; T177-F179 HydrophobicContact CG2-CE1 4.15Å; T177-F179 HydrophobicContact CG2-CZ 4.16Å |
| 178 | V | 45.4 | Very low | 52.9 | Low | 30 Ų | 30 | 90.7 Ų | 90.7 | 18% | 0.182 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 136.1 | 171.7 | -66 | 0 | 0 | 0 | 0 | 109.2 | Y136 Q138 K176 | Y136-V178 PolarHBondContact N-O 3.06Å; Y136-V178 PolarHBondContact O-N 3.35Å; Q138-V178 HydrophobicContact CB-CG1 4.28Å; Q138-V178 HydrophobicContact CB-CG2 3.58Å; K176-V178 HydrophobicContact CB-CG1 4.43Å; K176-V178 HydrophobicContact CD-CG1 4.06Å; K176-V178 HydrophobicContact CG-CG1 3.91Å; K176-V178 PolarHBondContact O-N 3.06Å; K176-V178 VanDerWaalsContact O-N 3.08Å |
| 179 | F | 45.9 | Very low | 53.7 | Low | 118 Ų | 118 | 88.1 Ų | 88.1 | 52% | 0.518 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 107.9 | 177.9 | -58.5 | -68.7 | 0 | 0 | 0 | 108.5 | P133 Q135 T177 | P133-F179 HydrophobicContact CB-CB 3.69Å; P133-F179 HydrophobicContact CB-CD1 3.62Å; P133-F179 HydrophobicContact CB-CE1 4.41Å; P133-F179 HydrophobicContact CB-CG 3.8Å; P133-F179 WeakPolarHBondContact O-CD1 3.26Å; Q135-F179 HydrophobicContact CG-CD1 4.14Å; Q135-F179 HydrophobicContact CG-CE1 3.62Å; T177-F179 HydrophobicContact CG2-CE1 4.15Å; T177-F179 HydrophobicContact CG2-CZ 4.16Å |
| 180 | K | 51 | Low | 54.2 | Low | 141 Ų | 141 | 85.8 Ų | 85.8 | 61% | 0.613 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 123.1 | 168.1 | -78.8 | -167.9 | 171.7 | -173 | 0 | 109.2 | R134 Y136 | R134-K180 PolarHBondContact O-N 3.47Å; Y136-K180 HydrophobicContact CD2-CB 3.72Å; Y136-K180 HydrophobicContact CD2-CD 4.45Å; Y136-K180 HydrophobicContact CD2-CG 4.22Å; Y136-K180 HydrophobicContact CE2-CB 3.79Å |
| 181 | T | 40.5 | Very low | 54.7 | Low | 92 Ų | 92 | 88.5 Ų | 88.5 | 56% | 0.564 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 109.4 | -178.7 | 47.3 | 0 | 0 | 0 | 0 | 109.6 | P131 | P131-T181 HydrophobicContact CB-CG2 3.72Å; P131-T181 HydrophobicContact CG-CG2 4.5Å |
| 182 | A | 41.8 | Very low | 54.3 | Low | 57 Ų | 57 | 84.6 Ų | 84.6 | 47% | 0.471 | 46% | 0.457 | S | S | . | . | trans | -94.5 | 129.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109 | T184 | A182-T184 PolarHBondContact O-N 3.22Š| ||
| 183 | P | 42.3 | Very low | 55.8 | Low | 122 Ų | 122 | 85.9 Ų | 85.9 | 79% | 0.792 | 46% | 0.456 | S | S | * | . | trans | -77.1 | 84.1 | -175.5 | 30.4 | -35.2 | 0 | 0 | 0 | 111.9 | ||||
| 184 | T | 43.3 | Very low | 56.5 | Low | 79 Ų | 79 | 85.3 Ų | 85.3 | 49% | 0.485 | 45% | 0.453 | S | S | . | . | trans | -84.5 | 115.8 | 167.1 | 48.8 | 0 | 0 | 0 | 0 | 110.1 | A182 | A182-T184 PolarHBondContact O-N 3.22Š| ||
| 185 | K | 50.3 | Low | 57.5 | Low | 176 Ų | 176 | 85.6 Ų | 85.6 | 77% | 0.765 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 132.1 | 170.9 | -62.9 | -174.8 | 178.7 | -173.3 | 0 | 109.6 | ||
| 186 | Q | 52.9 | Low | 57.6 | Low | 85 Ų | 85 | 83.9 Ų | 83.9 | 40% | 0.397 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 131.2 | 170.6 | -163.4 | 171.8 | 44.3 | 0 | 0 | 110.1 | E128 R188 | E128-Q186 PolarHBondContact N-O 2.86Å; E128-Q186 VanDerWaalsContact N-O 3.11Å; E128-Q186 PolarHBondContact O-N 3.17Å; Q186-R188 HydrophobicContact CG-CG 4.4Å |
| 187 | L | 70.6 | Confident | 57.6 | Low | 58 Ų | 58 | 84.5 Ų | 84.5 | 30% | 0.304 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 130.9 | 170.9 | -73.8 | 165.4 | 0 | 0 | 0 | 109.1 | L118 E120 V125 F127 | L118-L187 WeakPolarHBondContact O-CD1 3.47Å; E120-L187 HydrophobicContact CB-CD2 4.39Å; V125-L187 HydrophobicContact CG1-CB 4.09Å; V125-L187 HydrophobicContact CG1-CD2 3.84Å; F127-L187 HydrophobicContact CD1-CD2 3.87Å; F127-L187 HydrophobicContact CD1-CG 4.44Å; F127-L187 HydrophobicContact CE1-CD2 3.61Å; F127-L187 HydrophobicContact CE1-CG 4.13Å; F127-L187 HydrophobicContact CE2-CD2 4.45Å; F127-L187 HydrophobicContact CG-CD2 4.41Å; F127-L187 HydrophobicContact CZ-CD2 3.93Å |
| 188 | R | 71.7 | Confident | 57.5 | Low | 86 Ų | 86 | 85.7 Ų | 85.7 | 33% | 0.325 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 167 | -177.9 | -71.4 | -178 | 172 | -148 | -10.7 | 110.1 | V125 C126 E128 N130 Q186 | V125-R188 CarbonylContact C-O 3.35Å; V125-R188 WeakPolarHBondContact CA-O 3.3Å; V125-R188 WeakPolarHBondContact CG1-O 3.33Å; C126-R188 PolarHBondContact N-O 3.38Å; C126-R188 PolarHBondContact O-N 3.41Å; E128-R188 WeakPolarHBondContact OE2-CD 3.07Å; E128-R188 IonicContact OE2-CZ 2.73Å; E128-R188 IonicContact OE2-NE 2.73Å; E128-R188 PolarHBondContact OE2-NE 2.04Å; E128-R188 IonicContact OE2-NH1 3.18Å; E128-R188 PolarHBondContact OE2-NH1 2.78Å; N130-R188 PolarHBondContact ND2-NH1 3.5Å; Q186-R188 HydrophobicContact CG-CG 4.4Å |
| 189 | C | 79.4 | Confident | 58.2 | Low | 28 Ų | 28 | 91.7 Ų | 91.7 | 19% | 0.189 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 141.5 | 166.2 | -57.7 | 0 | 0 | 0 | 0 | 110.7 | F193 T194 R195 C202 | C189-F193 HydrophobicContact CB-CB 4.12Å; C189-F193 WeakPolarHBondContact CB-O 2.99Å; C189-T194 VanDerWaalsContact SG-C 3.53Å; C189-R195 PolarHBondContact SG-N 3.18Å; C189-C202 WeakPolarHBondContact CA-SG 3.43Å; C189-C202 HydrophobicContact CB-CB 3.53Å; C189-C202 WeakPolarHBondContact CB-SG 3.46Å; C189-C202 WeakPolarHBondContact SG-CB 3.24Å; C189-C202 CovalentContact SG-SG 2.03Å; C189-C202 PolarHBondContact SG-SG 2.88Å |
| 190 | C | 79.1 | Confident | 59.1 | Low | 21 Ų | 21 | 93.5 Ų | 93.5 | 14% | 0.142 | 52% | 0.517 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 154.3 | 172.8 | -64.7 | 0 | 0 | 0 | 0 | 111.3 | N124 C126 G192 F193 | N124-C190 PolarHBondContact O-N 2.81Å; N124-C190 PolarHBondContact O-SG 3Å; N124-C190 VanDerWaalsContact O-SG 3.35Å; C126-C190 HydrophobicContact CB-CB 3.93Å; C126-C190 WeakPolarHBondContact CB-SG 3.48Å; C126-C190 PolarHBondContact N-SG 2.9Å; C126-C190 VanDerWaalsContact N-SG 3.44Å; C126-C190 VanDerWaalsContact SG-CA 3.57Å; C126-C190 WeakPolarHBondContact SG-CB 3Å; C126-C190 CovalentContact SG-SG 2.04Å; C126-C190 PolarHBondContact SG-SG 3.04Å; C190-G192 PolarHBondContact O-N 2.77Å; C190-F193 HydrophobicContact CB-CD2 3.9Å; C190-F193 HydrophobicContact CB-CE2 4.49Å; C190-F193 WeakPolarHBondContact O-CB 3.46Å; C190-F193 PolarHBondContact O-N 2.79Å |
| 191 | P | 68.4 | Low | 60.4 | Low | 121 Ų | 121 | 87 Ų | 87 | 79% | 0.786 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 127 | 173.5 | -26.9 | 35.5 | 0 | 0 | 0 | 111.4 | ||
| 192 | G | 57.5 | Low | 62.1 | Low | 50 Ų | 50 | 82.7 Ų | 82.7 | 52% | 0.515 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89 | 6.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | C190 V205 | C190-G192 PolarHBondContact O-N 2.77Å; G192-V205 PolarHBondContact O-N 3.01Å |
| 193 | F | 76.1 | Confident | 63.6 | Low | 65 Ų | 65 | 81.2 Ų | 81.2 | 29% | 0.285 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 153.1 | 176.9 | -61 | -100.3 | 0 | 0 | 0 | 112.2 | N124 C189 C190 C202 V203 P204 | N124-F193 HydrophobicContact CB-CB 4.1Å; N124-F193 HydrophobicContact CB-CD1 3.33Å; N124-F193 HydrophobicContact CB-CD2 4.02Å; N124-F193 HydrophobicContact CB-CE1 3.66Å; N124-F193 HydrophobicContact CB-CE2 4.3Å; N124-F193 HydrophobicContact CB-CG 3.55Å; N124-F193 HydrophobicContact CB-CZ 4.13Å; N124-F193 WeakPolarHBondContact ND2-CD1 3.29Å; N124-F193 VanDerWaalsContact ND2-CE1 3.33Å; N124-F193 WeakPolarHBondContact ND2-CE1 3.25Å; N124-F193 WeakPolarHBondContact OD1-CE1 3.39Å; C189-F193 HydrophobicContact CB-CB 4.12Å; C189-F193 WeakPolarHBondContact CB-O 2.99Å; C190-F193 HydrophobicContact CB-CD2 3.9Å; C190-F193 HydrophobicContact CB-CE2 4.49Å; C190-F193 WeakPolarHBondContact O-CB 3.46Å; C190-F193 PolarHBondContact O-N 2.79Å; F193-C202 HydrophobicContact CB-CB 3.91Å; F193-V203 CarbonylContact C-O 3.54Å; F193-V203 VanDerWaalsContact CA-O 3.24Å; F193-V203 WeakPolarHBondContact CA-O 3.5Å; F193-P204 HydrophobicContact CD1-CB 4.38Å; F193-P204 HydrophobicContact CD1-CG 4.14Å; F193-P204 HydrophobicContact CE1-CB 4.29Å; F193-P204 HydrophobicContact CE1-CG 3.8Å |
| 194 | T | 68.9 | Low | 64.2 | Low | 47 Ų | 47 | 79.5 Ų | 79.5 | 29% | 0.288 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 154.3 | -176.4 | -178.1 | 0 | 0 | 0 | 0 | 111.3 | C189 C202 V203 V205 | C189-T194 VanDerWaalsContact SG-C 3.53Å; T194-C202 CarbonylContact O-C 3.5Å; T194-C202 WeakPolarHBondContact O-CA 3.33Å; T194-V203 HydrophobicContact CG2-CG2 4.22Å; T194-V203 PolarHBondContact N-O 3.31Å; T194-V203 WeakPolarHBondContact O-CG2 3.38Å; T194-V203 PolarHBondContact O-N 3.07Å; T194-V205 HydrophobicContact CG2-CG2 3.93Å |
| 195 | R | 64.3 | Low | 64.3 | Low | 116 Ų | 116 | 79.5 Ų | 79.5 | 44% | 0.438 | 44% | 0.437 | S | S | . | . | trans | -88.8 | 127.3 | 178 | -172.1 | 177 | 173.9 | -132 | -3.2 | 109.4 | I115 D116 C189 | I115-R195 VanDerWaalsContact CG2-NH2 3.27Å; D116-R195 PolarHBondContact O-NH2 3.25Å; C189-R195 PolarHBondContact SG-N 3.18Å | ||
| 196 | Q | 57.8 | Low | 63.7 | Low | 90 Ų | 90 | 74.6 Ų | 74.6 | 42% | 0.421 | 43% | 0.429 | S | S | . | . | trans | -116.9 | 141.6 | 174.3 | -76.7 | -172.7 | -3.1 | 0 | 0 | 110.4 | G198 Y199 V203 | Q196-G198 PolarHBondContact O-N 3.07Å; Q196-Y199 HydrophobicContact CB-CD2 4.1Å; Q196-Y199 PolarHBondContact O-N 3.17Å; Q196-V203 HydrophobicContact CB-CG2 4.16Å; Q196-V203 HydrophobicContact CG-CG2 3.66Å | ||
| 197 | P | 47.4 | Very low | 62.8 | Low | 132 Ų | 132 | 74.5 Ų | 74.5 | 86% | 0.857 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 130.1 | 168.3 | -21.4 | 33.3 | 0 | 0 | 0 | 110.6 | ||
| 198 | G | 53.1 | Low | 61.2 | Low | 86 Ų | 86 | 77 Ų | 77 | 89% | 0.887 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.1 | 2.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | Q196 | Q196-G198 PolarHBondContact O-N 3.07Š|
| 199 | Y | 59.4 | Low | 60.1 | Low | 155 Ų | 155 | 76 Ų | 76 | 61% | 0.608 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -121.2 | 140.2 | 173.9 | -73.3 | -86.1 | 0 | 0 | 0 | 111.9 | Q196 V203 | Q196-Y199 HydrophobicContact CB-CD2 4.1Å; Q196-Y199 PolarHBondContact O-N 3.17Å; Y199-V203 HydrophobicContact CD1-CG1 4.14Å; Y199-V203 HydrophobicContact CD2-CG1 4.41Å; Y199-V203 HydrophobicContact CG-CG1 3.91Å |
| 200 | E | 66.2 | Low | 58.2 | Low | 157 Ų | 157 | 81.1 Ų | 81.1 | 73% | 0.734 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -72 | 127.5 | 171.7 | -66.2 | -169.2 | 146.2 | 0 | 0 | 110.8 | P123 | P123-E200 WeakPolarHBondContact CG-O 3.44Š|
| 201 | G | 76.5 | Confident | 56.5 | Low | 3 Ų | 3 | 87.5 Ų | 87.5 | 3% | 0.031 | 51% | 0.511 | C | S | . | . | S | Bend | trans | 75.7 | -134.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 202 | C | 78 | Confident | 55.3 | Low | 2 Ų | 2 | 89.9 Ų | 89.9 | 1% | 0.014 | 52% | 0.516 | C | S | . | . | trans | -129 | 132.6 | -174.6 | -62.1 | 0 | 0 | 0 | 0 | 111.5 | P123 N124 C189 F193 T194 | P123-C202 PolarHBondContact O-N 3.19Å; N124-C202 HydrophobicContact CB-CB 4.24Å; N124-C202 WeakPolarHBondContact CB-O 3.05Å; N124-C202 PolarHBondContact ND2-O 2.96Å; C189-C202 WeakPolarHBondContact CA-SG 3.43Å; C189-C202 HydrophobicContact CB-CB 3.53Å; C189-C202 WeakPolarHBondContact CB-SG 3.46Å; C189-C202 WeakPolarHBondContact SG-CB 3.24Å; C189-C202 CovalentContact SG-SG 2.03Å; C189-C202 PolarHBondContact SG-SG 2.88Å; F193-C202 HydrophobicContact CB-CB 3.91Å; T194-C202 CarbonylContact O-C 3.5Å; T194-C202 WeakPolarHBondContact O-CA 3.33Å | ||
| 203 | V | 72.3 | Confident | 54.7 | Low | 27 Ų | 27 | 91.7 Ų | 91.7 | 16% | 0.164 | 51% | 0.514 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 154.1 | -179.6 | -63.4 | 0 | 0 | 0 | 0 | 110.8 | F193 T194 Q196 Y199 | F193-V203 CarbonylContact C-O 3.54Å; F193-V203 VanDerWaalsContact CA-O 3.24Å; F193-V203 WeakPolarHBondContact CA-O 3.5Å; T194-V203 HydrophobicContact CG2-CG2 4.22Å; T194-V203 PolarHBondContact N-O 3.31Å; T194-V203 WeakPolarHBondContact O-CG2 3.38Å; T194-V203 PolarHBondContact O-N 3.07Å; Q196-V203 HydrophobicContact CB-CG2 4.16Å; Q196-V203 HydrophobicContact CG-CG2 3.66Å; Y199-V203 HydrophobicContact CD1-CG1 4.14Å; Y199-V203 HydrophobicContact CD2-CG1 4.41Å; Y199-V203 HydrophobicContact CG-CG1 3.91Å |
| 204 | P | 55.3 | Low | 53.2 | Low | 85 Ų | 85 | 92.2 Ų | 92.2 | 55% | 0.552 | 52% | 0.52 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 142.6 | 179.4 | -24.8 | 33 | 0 | 0 | 0 | 113 | F193 A206 | F193-P204 HydrophobicContact CD1-CB 4.38Å; F193-P204 HydrophobicContact CD1-CG 4.14Å; F193-P204 HydrophobicContact CE1-CB 4.29Å; F193-P204 HydrophobicContact CE1-CG 3.8Å; P204-A206 PolarHBondContact O-N 2.86Å; P204-A206 VanDerWaalsContact O-N 3.11Å |
| 205 | V | 46 | Very low | 52.5 | Low | 80 Ų | 80 | 98 Ų | 98 | 49% | 0.485 | 54% | 0.537 | S | S | . | . | trans | -73.6 | 98.1 | 165.2 | 177.7 | 0 | 0 | 0 | 0 | 107.5 | G192 T194 S207 | G192-V205 PolarHBondContact O-N 3.01Å; T194-V205 HydrophobicContact CG2-CG2 3.93Å; V205-S207 PolarHBondContact O-N 3.41Å | ||
| 206 | A | 37.6 | Very low | 52.2 | Low | 72 Ų | 72 | 93 Ų | 93 | 60% | 0.595 | 52% | 0.52 | S | S | * | . | trans | -56.2 | 125.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | P204 D208 | P204-A206 PolarHBondContact O-N 2.86Å; P204-A206 VanDerWaalsContact O-N 3.11Å; A206-D208 PolarHBondContact O-N 2.72Å; A206-D208 VanDerWaalsContact O-N 3.1Å | ||
| 207 | S | 33.4 | Very low | 52.2 | Low | 84 Ų | 84 | 93 Ų | 93 | 59% | 0.587 | 52% | 0.52 | S | S | * | . | trans | -90.9 | 44.3 | -164.8 | 45.7 | 0 | 0 | 0 | 0 | 112.7 | V205 C209 | V205-S207 PolarHBondContact O-N 3.41Å; S207-C209 VanDerWaalsContact C-N 3.28Å; S207-C209 PolarHBondContact O-N 3.37Å | ||
| 208 | D | 37.8 | Very low | 52.6 | Low | 109 Ų | 109 | 90 Ų | 90 | 58% | 0.583 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 65.1 | -164.6 | -62.3 | -22.7 | 0 | 0 | 0 | 113.1 | A206 N214 | A206-D208 PolarHBondContact O-N 2.72Å; A206-D208 VanDerWaalsContact O-N 3.1Å; D208-N214 PolarHBondContact O-ND2 3.49Å |
| 209 | C | 47.8 | Very low | 52.9 | Low | 66 Ų | 66 | 90 Ų | 90 | 45% | 0.446 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 2.9 | 151.6 | -67.8 | 0 | 0 | 0 | 0 | 111.8 | S207 C220 | S207-C209 VanDerWaalsContact C-N 3.28Å; S207-C209 PolarHBondContact O-N 3.37Å; C209-C220 VanDerWaalsContact SG-SG 3.69Å |
| 210 | N | 39 | Very low | 52.9 | Low | 135 Ų | 135 | 84.7 Ų | 84.7 | 72% | 0.722 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -95.3 | -3.1 | -168.6 | -71.5 | -20.4 | 0 | 0 | 0 | 115.3 | ||
| 211 | E | 44 | Very low | 52.3 | Low | 156 Ų | 156 | 78.1 Ų | 78.1 | 73% | 0.729 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -132.2 | 135.9 | 168.1 | -65.6 | -166.7 | 166.8 | 0 | 0 | 111.7 | N213 | E211-N213 VanDerWaalsContact C-N 3.35Å; E211-N213 PolarHBondContact O-N 3.26Å |
| 212 | L | 43.4 | Very low | 50.9 | Low | 170 Ų | 170 | 86.4 Ų | 86.4 | 89% | 0.89 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | 51.6 | 30.8 | 161.9 | -79 | 160.4 | 0 | 0 | 0 | 118.9 | N214 | L212-N214 PolarHBondContact O-N 3.44Š|
| 213 | N | 45.3 | Very low | 49.1 | Very low | 89 Ų | 89 | 91.7 Ų | 91.7 | 48% | 0.476 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | 53.1 | 16 | 174.1 | -152.5 | 32.3 | 0 | 0 | 0 | 115.6 | E211 Y215 C216 | E211-N213 VanDerWaalsContact C-N 3.35Å; E211-N213 PolarHBondContact O-N 3.26Å; N213-Y215 PolarHBondContact O-N 2.03Å; N213-C216 PolarHBondContact ND2-O 3.37Å; N213-C216 PolarHBondContact O-N 2.77Å |
| 214 | N | 44.5 | Very low | 47.3 | Very low | 76 Ų | 76 | 96.7 Ų | 96.7 | 41% | 0.406 | 53% | 0.534 | S | S | . | . | G | 310 helix | trans | 36 | 40.5 | -178.5 | -99.6 | -41.1 | 0 | 0 | 0 | 117 | D208 L212 C216 | D208-N214 PolarHBondContact O-ND2 3.49Å; L212-N214 PolarHBondContact O-N 3.44Å; N214-C216 PolarHBondContact O-N 2.87Å |
| 215 | Y | 53.8 | Low | 46.7 | Very low | 167 Ų | 167 | 96.3 Ų | 96.3 | 66% | 0.655 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | 62.9 | 10.2 | -177.6 | -57.5 | -101 | 0 | 0 | 0 | 116.1 | N213 R242 | N213-Y215 PolarHBondContact O-N 2.03Å; Y215-R242 VanDerWaalsContact CB-CZ 3.48Å; Y215-R242 VanDerWaalsContact O-CB 3.25Å; Y215-R242 WeakPolarHBondContact O-CB 3.4Å |
| 216 | C | 57 | Low | 46.4 | Very low | 13 Ų | 13 | 95 Ų | 95 | 9% | 0.088 | 54% | 0.54 | C | S | . | . | trans | -69.3 | 136.8 | 167.1 | -64.7 | 0 | 0 | 0 | 0 | 110 | N213 N214 C229 | N213-C216 PolarHBondContact ND2-O 3.37Å; N213-C216 PolarHBondContact O-N 2.77Å; N214-C216 PolarHBondContact O-N 2.87Å; C216-C229 WeakPolarHBondContact CA-SG 3.08Å; C216-C229 HydrophobicContact CB-CB 3.76Å; C216-C229 WeakPolarHBondContact CB-SG 2.97Å; C216-C229 WeakPolarHBondContact SG-CB 3.44Å; C216-C229 CovalentContact SG-SG 2.04Å; C216-C229 PolarHBondContact SG-SG 3.09Å | ||
| 217 | Q | 57.7 | Low | 46.8 | Very low | 88 Ų | 88 | 103.5 Ų | 103.5 | 41% | 0.411 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -77 | -27.1 | 178.5 | -178.3 | 177.5 | -22.5 | 0 | 0 | 113.5 | R242 R243 C244 | Q217-R242 PolarHBondContact N-O 3.28Å; Q217-R243 VanDerWaalsContact OE1-CA 3.23Å; Q217-R243 VanDerWaalsContact OE1-CB 3.25Å; Q217-C244 PolarHBondContact NE2-O 3.18Å; Q217-C244 PolarHBondContact OE1-O 2.03Å |
| 218 | N | 57.1 | Low | 47.9 | Very low | 71 Ų | 71 | 104 Ų | 104 | 38% | 0.38 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -127.5 | -101.7 | 179.7 | -74.8 | -56.5 | 0 | 0 | 0 | 111.4 | P232 C244 | N218-P232 WeakPolarHBondContact ND2-CD 3.17Å; N218-C244 PolarHBondContact ND2-SG 2.04Å |
| 219 | D | 57.7 | Low | 49.3 | Very low | 86 Ų | 86 | 99.5 Ų | 99.5 | 46% | 0.46 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 155.8 | -170.3 | -179.7 | 34.8 | 0 | 0 | 0 | 112.4 | C229 R230 | D219-C229 WeakPolarHBondContact O-CA 3.41Å; D219-R230 HydrophobicContact CB-CB 4.23Å; D219-R230 PolarHBondContact N-O 3.33Å; D219-R230 PolarHBondContact O-N 3.31Å |
| 220 | C | 59.7 | Low | 50.1 | Low | 43 Ų | 43 | 104.1 Ų | 104.1 | 29% | 0.291 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 105.3 | -180 | -171 | 0 | 0 | 0 | 0 | 110.3 | C209 Q222 | C209-C220 VanDerWaalsContact SG-SG 3.69Å; C220-Q222 PolarHBondContact O-N 2.04Å; C220-Q222 VanDerWaalsContact O-N 3.12Å |
| 221 | G | 53.6 | Low | 51.5 | Low | 19 Ų | 19 | 99 Ų | 99 | 20% | 0.196 | 51% | 0.512 | C | S | . | . | trans | -72.5 | 106.1 | -172 | 0 | 0 | 0 | 0 | 0 | 113.1 | I223 N228 | G221-I223 VanDerWaalsContact C-N 3.31Å; G221-I223 PolarHBondContact O-N 2.91Å; G221-N228 PolarHBondContact N-O 3.18Å | ||
| 222 | Q | 48.6 | Very low | 52.5 | Low | 176 Ų | 176 | 94 Ų | 94 | 82% | 0.822 | 49% | 0.493 | S | S | * | . | trans | -70.1 | 81.5 | 173.9 | -68.7 | -169.6 | -3.7 | 0 | 0 | 112.4 | C220 | C220-Q222 PolarHBondContact O-N 2.04Å; C220-Q222 VanDerWaalsContact O-N 3.12Å | ||
| 223 | I | 40.4 | Very low | 53.6 | Low | 113 Ų | 113 | 91.8 Ų | 91.8 | 58% | 0.579 | 49% | 0.489 | S | S | * | . | B | Isolated β-bridge | trans | -110.5 | 122.6 | 165.2 | -58.9 | 177.6 | 0 | 0 | 0 | 108.1 | G221 G225 S226 | G221-I223 VanDerWaalsContact C-N 3.31Å; G221-I223 PolarHBondContact O-N 2.91Å; I223-G225 PolarHBondContact O-N 3.08Å; I223-S226 PolarHBondContact O-N 2.9Å |
| 224 | P | 34.2 | Very low | 54.8 | Low | 133 Ų | 133 | 88.3 Ų | 88.3 | 86% | 0.864 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 110.2 | 178.1 | -25.4 | 34.8 | 0 | 0 | 0 | 112 | ||
| 225 | G | 42 | Very low | 56.5 | Low | 76 Ų | 76 | 87.6 Ų | 87.6 | 78% | 0.784 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107.7 | -7.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | I223 | I223-G225 PolarHBondContact O-N 3.08Š|
| 226 | S | 39.7 | Very low | 57.7 | Low | 53 Ų | 53 | 84.2 Ų | 84.2 | 37% | 0.371 | 46% | 0.455 | S | S | . | . | B | Isolated β-bridge | trans | -127.6 | 119.8 | 179 | 64.9 | 0 | 0 | 0 | 0 | 113.6 | I223 N228 | I223-S226 PolarHBondContact O-N 2.9Å; S226-N228 PolarHBondContact O-N 3.12Å |
| 227 | R | 45.9 | Very low | 58.3 | Low | 251 Ų | 251 | 85.9 Ų | 85.9 | 95% | 0.947 | 46% | 0.463 | S | S | * | . | trans | -73.4 | 106.4 | 167.2 | -75.7 | 175.6 | -82.5 | -179.4 | -6.6 | 109.1 | ||||
| 228 | N | 57.8 | Low | 58.8 | Low | 93 Ų | 93 | 81.9 Ų | 81.9 | 50% | 0.497 | 45% | 0.445 | S | S | . | . | trans | -146.3 | 114.8 | 178.3 | -137.3 | 29.1 | 0 | 0 | 0 | 111.2 | G221 S226 | G221-N228 PolarHBondContact N-O 3.18Å; S226-N228 PolarHBondContact O-N 3.12Å | ||
| 229 | C | 67.2 | Low | 59.6 | Low | 15 Ų | 15 | 84.5 Ų | 84.5 | 10% | 0.101 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 143.7 | 165.6 | -57.8 | 0 | 0 | 0 | 0 | 108.9 | C216 D219 L237 K241 | C216-C229 WeakPolarHBondContact CA-SG 3.08Å; C216-C229 HydrophobicContact CB-CB 3.76Å; C216-C229 WeakPolarHBondContact CB-SG 2.97Å; C216-C229 WeakPolarHBondContact SG-CB 3.44Å; C216-C229 CovalentContact SG-SG 2.04Å; C216-C229 PolarHBondContact SG-SG 3.09Å; D219-C229 WeakPolarHBondContact O-CA 3.41Å; C229-L237 HydrophobicContact CB-CD1 3.68Å; C229-L237 HydrophobicContact CB-CD2 4.41Å; C229-K241 PolarHBondContact SG-O 2.83Å |
| 230 | R | 63.4 | Low | 60.1 | Low | 163 Ų | 163 | 83.1 Ų | 83.1 | 62% | 0.615 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 128.9 | -176.9 | -166.9 | 179.4 | -169.6 | 178.2 | 3 | 109.8 | D219 | D219-R230 HydrophobicContact CB-CB 4.23Å; D219-R230 PolarHBondContact N-O 3.33Å; D219-R230 PolarHBondContact O-N 3.31Å |
| 231 | C | 68.4 | Low | 60.2 | Low | 28 Ų | 28 | 88.1 Ų | 88.1 | 19% | 0.189 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -97.5 | 152.1 | 177.4 | -61.7 | 0 | 0 | 0 | 0 | 111.4 | Y235 C244 | C231-Y235 WeakPolarHBondContact CB-O 3.4Å; C231-C244 WeakPolarHBondContact CA-SG 3.43Å; C231-C244 HydrophobicContact CB-CB 3.85Å; C231-C244 WeakPolarHBondContact CB-SG 3.24Å; C231-C244 WeakPolarHBondContact SG-CA 3.25Å; C231-C244 WeakPolarHBondContact SG-CB 3.23Å; C231-C244 CovalentContact SG-SG 2.05Å; C231-C244 PolarHBondContact SG-SG 3.06Å |
| 232 | P | 64.6 | Low | 60.8 | Low | 51 Ų | 51 | 92.2 Ų | 92.2 | 33% | 0.331 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -61 | 163.9 | 168.1 | -19.5 | 32.2 | 0 | 0 | 0 | 111.7 | N218 Y235 | N218-P232 WeakPolarHBondContact ND2-CD 3.17Å; P232-Y235 HydrophobicContact CB-CD2 4.07Å; P232-Y235 HydrophobicContact CG-CD2 4.31Å; P232-Y235 PolarHBondContact O-N 3.03Å |
| 233 | P | 68 | Low | 61.8 | Low | 123 Ų | 123 | 90.4 Ų | 90.4 | 80% | 0.799 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 142.5 | 164.5 | -23.1 | 34.4 | 0 | 0 | 0 | 111.2 | Y235 | P233-Y235 VanDerWaalsContact C-N 3.34Š|
| 234 | G | 70 | Confident | 63.4 | Low | 16 Ų | 16 | 85.2 Ų | 85.2 | 17% | 0.165 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | 1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | I247 | G234-I247 PolarHBondContact O-N 3.19Š|
| 235 | Y | 80.4 | Confident | 65.3 | Low | 62 Ų | 62 | 82.4 Ų | 82.4 | 24% | 0.243 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 137.9 | 179.3 | -67.2 | -95.4 | 0 | 0 | 0 | 112.2 | C231 P232 P233 C244 L245 D246 P265 G266 | C231-Y235 WeakPolarHBondContact CB-O 3.4Å; P232-Y235 HydrophobicContact CB-CD2 4.07Å; P232-Y235 HydrophobicContact CG-CD2 4.31Å; P232-Y235 PolarHBondContact O-N 3.03Å; P233-Y235 VanDerWaalsContact C-N 3.34Å; Y235-C244 HydrophobicContact CD1-CB 4.31Å; Y235-C244 HydrophobicContact CG-CB 4.49Å; Y235-L245 CarbonylContact C-O 3.57Å; Y235-L245 VanDerWaalsContact CA-O 3.29Å; Y235-L245 WeakPolarHBondContact CA-O 3.35Å; Y235-D246 HydrophobicContact CD1-CB 4.47Å; Y235-D246 HydrophobicContact CE1-CB 4.28Å; Y235-P265 WeakPolarHBondContact OH-CA 3.03Å; Y235-P265 WeakPolarHBondContact OH-CB 3.24Å; Y235-G266 PolarHBondContact OH-N 2.89Å |
| 236 | F | 77.7 | Confident | 67.1 | Low | 95 Ų | 95 | 80.8 Ų | 80.8 | 42% | 0.417 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 153.2 | 172.3 | 76.6 | -81.5 | 0 | 0 | 0 | 111.7 | A238 C244 L245 D246 I247 | F236-A238 PolarHBondContact O-N 2.87Å; F236-C244 CarbonylContact O-C 3.51Å; F236-C244 WeakPolarHBondContact O-CA 3.24Å; F236-L245 HydrophobicContact CD1-CB 3.99Å; F236-L245 WeakPolarHBondContact CD1-O 3.27Å; F236-L245 HydrophobicContact CE1-CB 3.5Å; F236-L245 HydrophobicContact CE1-CD1 4.45Å; F236-L245 HydrophobicContact CE2-CB 4.27Å; F236-L245 HydrophobicContact CE2-CD1 4.15Å; F236-L245 HydrophobicContact CZ-CB 3.67Å; F236-L245 HydrophobicContact CZ-CD1 3.77Å; F236-L245 HydrophobicContact CZ-CG 4.38Å; F236-L245 PolarHBondContact N-O 2.89Å; F236-L245 PolarHBondContact O-N 2.84Å; F236-D246 WeakPolarHBondContact CE1-O 3.49Å; F236-I247 HydrophobicContact CB-CD1 4.38Å; F236-I247 HydrophobicContact CB-CG1 3.91Å; F236-I247 HydrophobicContact CD1-CG1 3.85Å; F236-I247 HydrophobicContact CG-CG1 4.37Å |
| 237 | L | 71.6 | Confident | 68.9 | Low | 49 Ų | 49 | 81.3 Ų | 81.3 | 26% | 0.257 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 122.5 | 176.9 | -165.6 | 71.8 | 0 | 0 | 0 | 109.9 | C229 K241 | C229-L237 HydrophobicContact CB-CD1 3.68Å; C229-L237 HydrophobicContact CB-CD2 4.41Å; L237-K241 HydrophobicContact CD2-CB 4.09Å |
| 238 | A | 67.9 | Low | 70.5 | Confident | 4 Ų | 4 | 72.4 Ų | 72.4 | 3% | 0.033 | 36% | 0.364 | C | S | . | . | trans | -62.3 | 164.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F236 D240 K241 R243 L245 | F236-A238 PolarHBondContact O-N 2.87Å; A238-D240 PolarHBondContact O-N 3.17Å; A238-K241 WeakPolarHBondContact O-CA 3.23Å; A238-K241 PolarHBondContact O-N 3.25Å; A238-R243 HydrophobicContact CB-CB 3.93Å; A238-R243 WeakPolarHBondContact CB-O 3.4Å; A238-R243 PolarHBondContact N-O 3.06Å; A238-L245 HydrophobicContact CB-CD1 3.62Å; A238-L245 HydrophobicContact CB-CG 3.9Å | ||
| 239 | P | 72.5 | Confident | 71.7 | Confident | 126 Ų | 126 | 70 Ų | 70 | 82% | 0.818 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -21.8 | 178.8 | -28 | 36.4 | 0 | 0 | 0 | 115.4 | K241 | P239-K241 PolarHBondContact O-N 3.2Š|
| 240 | D | 69.1 | Low | 72.5 | Confident | 57 Ų | 57 | 70.6 Ų | 70.6 | 31% | 0.305 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -2.8 | 174 | 59.5 | 30.7 | 0 | 0 | 0 | 114.5 | A238 R242 R243 | A238-D240 PolarHBondContact O-N 3.17Å; D240-R242 HydrophobicContact CB-CB 4.47Å; D240-R242 WeakPolarHBondContact O-CG 3.12Å; D240-R242 PolarHBondContact O-N 3.26Å; D240-R242 WeakPolarHBondContact OD1-CA 3.17Å; D240-R242 WeakPolarHBondContact OD1-CB 3.46Å; D240-R242 PolarHBondContact OD1-N 2.87Å; D240-R243 PolarHBondContact OD1-N 3.2Å; D240-R243 IonicContact OD2-CZ 2.75Å; D240-R243 IonicContact OD2-NE 3.17Å; D240-R243 PolarHBondContact OD2-NE 3.03Å; D240-R243 IonicContact OD2-NH2 3.32Å; D240-R243 PolarHBondContact OD2-NH2 2.88Å |
| 241 | K | 62.2 | Low | 73.3 | Confident | 148 Ų | 148 | 67.9 Ų | 67.9 | 64% | 0.643 | 36% | 0.356 | S | S | * | . | S | Bend | trans | 57 | 25.4 | -176.4 | -55.5 | -173.9 | 180 | -175.6 | 0 | 114.2 | C229 L237 A238 P239 | C229-K241 PolarHBondContact SG-O 2.83Å; L237-K241 HydrophobicContact CD2-CB 4.09Å; A238-K241 WeakPolarHBondContact O-CA 3.23Å; A238-K241 PolarHBondContact O-N 3.25Å; P239-K241 PolarHBondContact O-N 3.2Å |
| 242 | R | 65.6 | Low | 73.2 | Confident | 105 Ų | 105 | 76.1 Ų | 76.1 | 40% | 0.396 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -132.4 | -48.5 | -168.7 | -81.1 | 166.7 | 170.4 | -145.8 | -11.4 | 112.8 | Y215 Q217 D240 | Y215-R242 VanDerWaalsContact CB-CZ 3.48Å; Y215-R242 VanDerWaalsContact O-CB 3.25Å; Y215-R242 WeakPolarHBondContact O-CB 3.4Å; Q217-R242 PolarHBondContact N-O 3.28Å; D240-R242 HydrophobicContact CB-CB 4.47Å; D240-R242 WeakPolarHBondContact O-CG 3.12Å; D240-R242 PolarHBondContact O-N 3.26Å; D240-R242 WeakPolarHBondContact OD1-CA 3.17Å; D240-R242 WeakPolarHBondContact OD1-CB 3.46Å; D240-R242 PolarHBondContact OD1-N 2.87Å |
| 243 | R | 69.9 | Low | 73.5 | Confident | 137 Ų | 137 | 79 Ų | 79 | 52% | 0.517 | 40% | 0.397 | S | S | . | . | trans | -84.7 | 144.8 | 178.4 | -76.1 | 178.4 | -70.5 | 172.5 | -0.1 | 111.9 | Q217 A238 D240 | Q217-R243 VanDerWaalsContact OE1-CA 3.23Å; Q217-R243 VanDerWaalsContact OE1-CB 3.25Å; A238-R243 HydrophobicContact CB-CB 3.93Å; A238-R243 WeakPolarHBondContact CB-O 3.4Å; A238-R243 PolarHBondContact N-O 3.06Å; D240-R243 PolarHBondContact OD1-N 3.2Å; D240-R243 IonicContact OD2-CZ 2.75Å; D240-R243 IonicContact OD2-NE 3.17Å; D240-R243 PolarHBondContact OD2-NE 3.03Å; D240-R243 IonicContact OD2-NH2 3.32Å; D240-R243 PolarHBondContact OD2-NH2 2.88Å | ||
| 244 | C | 74.5 | Confident | 73.7 | Confident | 5 Ų | 5 | 79.7 Ų | 79.7 | 3% | 0.034 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 105.2 | 168 | -67.9 | 0 | 0 | 0 | 0 | 107.2 | Q217 N218 C231 Y235 F236 | Q217-C244 PolarHBondContact NE2-O 3.18Å; Q217-C244 PolarHBondContact OE1-O 2.03Å; N218-C244 PolarHBondContact ND2-SG 2.04Å; C231-C244 WeakPolarHBondContact CA-SG 3.43Å; C231-C244 HydrophobicContact CB-CB 3.85Å; C231-C244 WeakPolarHBondContact CB-SG 3.24Å; C231-C244 WeakPolarHBondContact SG-CA 3.25Å; C231-C244 WeakPolarHBondContact SG-CB 3.23Å; C231-C244 CovalentContact SG-SG 2.05Å; C231-C244 PolarHBondContact SG-SG 3.06Å; Y235-C244 HydrophobicContact CD1-CB 4.31Å; Y235-C244 HydrophobicContact CG-CB 4.49Å; F236-C244 CarbonylContact O-C 3.51Å; F236-C244 WeakPolarHBondContact O-CA 3.24Å |
| 245 | L | 73.5 | Confident | 73.4 | Confident | 73 Ų | 73 | 79.6 Ų | 79.6 | 38% | 0.382 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 142.3 | 172.5 | -71.7 | 170.6 | 0 | 0 | 0 | 108.7 | Y235 F236 A238 I247 | Y235-L245 CarbonylContact C-O 3.57Å; Y235-L245 VanDerWaalsContact CA-O 3.29Å; Y235-L245 WeakPolarHBondContact CA-O 3.35Å; F236-L245 HydrophobicContact CD1-CB 3.99Å; F236-L245 WeakPolarHBondContact CD1-O 3.27Å; F236-L245 HydrophobicContact CE1-CB 3.5Å; F236-L245 HydrophobicContact CE1-CD1 4.45Å; F236-L245 HydrophobicContact CE2-CB 4.27Å; F236-L245 HydrophobicContact CE2-CD1 4.15Å; F236-L245 HydrophobicContact CZ-CB 3.67Å; F236-L245 HydrophobicContact CZ-CD1 3.77Å; F236-L245 HydrophobicContact CZ-CG 4.38Å; F236-L245 PolarHBondContact N-O 2.89Å; F236-L245 PolarHBondContact O-N 2.84Å; A238-L245 HydrophobicContact CB-CD1 3.62Å; A238-L245 HydrophobicContact CB-CG 3.9Å; L245-I247 PolarHBondContact O-N 3.48Å |
| 246 | D | 78.7 | Confident | 73.1 | Confident | 43 Ų | 43 | 78.3 Ų | 78.3 | 23% | 0.23 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 131.5 | 172.3 | -157.2 | 38.1 | 0 | 0 | 0 | 109.2 | Y235 F236 D248 N263 P265 G266 | Y235-D246 HydrophobicContact CD1-CB 4.47Å; Y235-D246 HydrophobicContact CE1-CB 4.28Å; F236-D246 WeakPolarHBondContact CE1-O 3.49Å; D246-D248 PolarHBondContact O-N 2.78Å; D246-D248 VanDerWaalsContact O-N 3.11Å; D246-N263 PolarHBondContact OD2-ND2 3.38Å; D246-P265 VanDerWaalsContact OD1-CA 3.31Å; D246-P265 WeakPolarHBondContact OD1-CA 3Å; D246-G266 PolarHBondContact OD1-N 2.91Å |
| 247 | I | 77.6 | Confident | 73.4 | Confident | 63 Ų | 63 | 74 Ų | 74 | 32% | 0.323 | 37% | 0.369 | S | S | . | . | trans | -76.9 | 99 | 170.7 | -59.2 | 171.1 | 0 | 0 | 0 | 105.9 | G234 F236 L245 E249 N263 | G234-I247 PolarHBondContact O-N 3.19Å; F236-I247 HydrophobicContact CB-CD1 4.38Å; F236-I247 HydrophobicContact CB-CG1 3.91Å; F236-I247 HydrophobicContact CD1-CG1 3.85Å; F236-I247 HydrophobicContact CG-CG1 4.37Å; L245-I247 PolarHBondContact O-N 3.48Å; I247-E249 HydrophobicContact CG2-CG 3.89Å; I247-E249 PolarHBondContact O-N 2.82Å; I247-E249 VanDerWaalsContact O-OE2 3.09Å; I247-N263 PolarHBondContact O-OD1 3.27Å | ||
| 248 | D | 79.7 | Confident | 73.9 | Confident | 64 Ų | 64 | 76.4 Ų | 76.4 | 34% | 0.342 | 38% | 0.38 | S | S | . | . | trans | -69.3 | 84.8 | 170.5 | -174.3 | -16.1 | 0 | 0 | 0 | 109.1 | D246 C250 T251 | D246-D248 PolarHBondContact O-N 2.78Å; D246-D248 VanDerWaalsContact O-N 3.11Å; D248-C250 PolarHBondContact O-N 3.09Å; D248-C250 VanDerWaalsContact O-N 3.17Å; D248-C250 WeakPolarHBondContact OD1-CA 3.44Å; D248-C250 WeakPolarHBondContact OD1-CB 3.3Å; D248-C250 PolarHBondContact OD1-N 3.32Å; D248-C250 VanDerWaalsContact OD1-N 3.12Å; D248-T251 HydrophobicContact CB-CG2 3.86Å; D248-T251 WeakPolarHBondContact O-CB 3.16Å; D248-T251 PolarHBondContact O-N 2.95Å; D248-T251 PolarHBondContact O-OG1 2.03Å; D248-T251 PolarHBondContact OD1-N 3.41Å | ||
| 249 | E | 82.9 | Confident | 74.5 | Confident | 42 Ų | 42 | 79.9 Ų | 79.9 | 20% | 0.196 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -61.2 | -23.8 | -179.5 | -69.2 | 104.3 | 172.4 | 0 | 0 | 111.4 | I247 T251 Y252 G255 G267 Y268 | I247-E249 HydrophobicContact CG2-CG 3.89Å; I247-E249 PolarHBondContact O-N 2.82Å; I247-E249 VanDerWaalsContact O-OE2 3.09Å; E249-T251 PolarHBondContact O-N 2.99Å; E249-Y252 PolarHBondContact O-N 3.44Å; E249-Y252 VanDerWaalsContact O-N 3.14Å; E249-G255 WeakPolarHBondContact O-CA 3.25Å; E249-G255 PolarHBondContact O-N 3.16Å; E249-G267 VanDerWaalsContact OE2-CA 3.24Å; E249-G267 WeakPolarHBondContact OE2-CA 3.41Å; E249-Y268 HydrophobicContact CB-CD1 3.5Å; E249-Y268 HydrophobicContact CB-CE1 4.09Å; E249-Y268 HydrophobicContact CB-CG 3.89Å; E249-Y268 HydrophobicContact CG-CD1 3.65Å; E249-Y268 HydrophobicContact CG-CE1 4.1Å; E249-Y268 HydrophobicContact CG-CG 4.49Å; E249-Y268 VanDerWaalsContact OE2-CD1 3.26Å; E249-Y268 WeakPolarHBondContact OE2-CD1 3.06Å; E249-Y268 PolarHBondContact OE2-N 3.03Å; E249-Y268 VanDerWaalsContact OE2-N 3.1Å |
| 250 | C | 84.5 | Confident | 75 | Confident | 28 Ų | 28 | 79.2 Ų | 79.2 | 19% | 0.189 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -65.5 | -18.6 | 175.6 | -52.1 | 0 | 0 | 0 | 0 | 113.2 | D248 Y252 R254 C261 N263 | D248-C250 PolarHBondContact O-N 3.09Å; D248-C250 VanDerWaalsContact O-N 3.17Å; D248-C250 WeakPolarHBondContact OD1-CA 3.44Å; D248-C250 WeakPolarHBondContact OD1-CB 3.3Å; D248-C250 PolarHBondContact OD1-N 3.32Å; D248-C250 VanDerWaalsContact OD1-N 3.12Å; C250-Y252 VanDerWaalsContact C-N 3.27Å; C250-Y252 PolarHBondContact O-N 3.43Å; C250-R254 WeakPolarHBondContact O-CA 3.25Å; C250-C261 WeakPolarHBondContact CA-SG 3.45Å; C250-C261 HydrophobicContact CB-CB 3.6Å; C250-C261 WeakPolarHBondContact CB-SG 3.47Å; C250-C261 WeakPolarHBondContact SG-CB 3.37Å; C250-C261 CovalentContact SG-SG 2.03Å; C250-C261 PolarHBondContact SG-SG 3.28Å; C250-N263 PolarHBondContact SG-N 3.48Å; C250-N263 VanDerWaalsContact SG-N 3.36Å |
| 251 | T | 79.5 | Confident | 75.8 | Confident | 107 Ų | 107 | 77.8 Ų | 77.8 | 66% | 0.656 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -67.6 | -22.1 | 173.1 | 61.6 | 0 | 0 | 0 | 0 | 114 | D248 E249 | D248-T251 HydrophobicContact CB-CG2 3.86Å; D248-T251 WeakPolarHBondContact O-CB 3.16Å; D248-T251 PolarHBondContact O-N 2.95Å; D248-T251 PolarHBondContact O-OG1 2.03Å; D248-T251 PolarHBondContact OD1-N 3.41Å; E249-T251 PolarHBondContact O-N 2.99Å |
| 252 | Y | 67.9 | Low | 76.8 | Confident | 200 Ų | 200 | 74.6 Ų | 74.6 | 78% | 0.784 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122 | 111.2 | -176 | -141.7 | -89.9 | 0 | 0 | 0 | 111.3 | E249 C250 R254 G255 | E249-Y252 PolarHBondContact O-N 3.44Å; E249-Y252 VanDerWaalsContact O-N 3.14Å; C250-Y252 VanDerWaalsContact C-N 3.27Å; C250-Y252 PolarHBondContact O-N 3.43Å; Y252-R254 PolarHBondContact O-N 2.84Å; Y252-G255 PolarHBondContact O-N 3.46Å |
| 253 | D | 70.6 | Confident | 77.5 | Confident | 113 Ų | 113 | 72 Ų | 72 | 60% | 0.604 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | 46.4 | 32.9 | -173.4 | -154.1 | 32.7 | 0 | 0 | 0 | 114.4 | G255 G256 | D253-G255 VanDerWaalsContact C-N 3.26Å; D253-G255 PolarHBondContact O-N 2.85Å; D253-G256 WeakPolarHBondContact O-CA 3.21Å; D253-G256 PolarHBondContact O-N 3.09Å |
| 254 | R | 70.5 | Confident | 77.8 | Confident | 137 Ų | 137 | 68.4 Ų | 68.4 | 52% | 0.517 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | 55.3 | 34.2 | -173.1 | -52.2 | -176.6 | -177.4 | 162.2 | 5 | 113.4 | C250 Y252 G256 C257 Y259 C261 | C250-R254 WeakPolarHBondContact O-CA 3.25Å; Y252-R254 PolarHBondContact O-N 2.84Å; R254-G256 PolarHBondContact O-N 3.22Å; R254-C257 HydrophobicContact CB-CB 4.28Å; R254-C257 WeakPolarHBondContact O-CB 3.42Å; R254-C257 PolarHBondContact O-N 3.04Å; R254-C257 PolarHBondContact O-SG 3Å; R254-Y259 VanDerWaalsContact CD-O 3.23Å; R254-Y259 WeakPolarHBondContact CD-O 3.45Å; R254-Y259 PolarHBondContact NH1-O 3.43Å; R254-C261 HydrophobicContact CB-CB 4.01Å; R254-C261 VanDerWaalsContact O-CB 3.23Å; R254-C261 WeakPolarHBondContact O-CB 3.04Å; R254-C261 PolarHBondContact O-SG 2.78Å |
| 255 | G | 65.1 | Low | 77.9 | Confident | 14 Ų | 14 | 73.5 Ų | 73.5 | 14% | 0.144 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | 64.3 | 17.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E249 Y252 D253 C257 Y268 | E249-G255 WeakPolarHBondContact O-CA 3.25Å; E249-G255 PolarHBondContact O-N 3.16Å; Y252-G255 PolarHBondContact O-N 3.46Å; D253-G255 VanDerWaalsContact C-N 3.26Å; D253-G255 PolarHBondContact O-N 2.85Å; G255-C257 VanDerWaalsContact C-N 3.27Å; G255-Y268 WeakPolarHBondContact O-CE2 3.16Å; G255-Y268 VanDerWaalsContact O-CZ 3.26Å; G255-Y268 PolarHBondContact O-OH 2.98Å; G255-Y268 VanDerWaalsContact O-OH 3.12Å |
| 256 | G | 74.3 | Confident | 77.7 | Confident | 34 Ų | 34 | 71.6 Ų | 71.6 | 35% | 0.351 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | 83.6 | -10.6 | -167.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | D253 R254 M258 I283 | D253-G256 WeakPolarHBondContact O-CA 3.21Å; D253-G256 PolarHBondContact O-N 3.09Å; R254-G256 PolarHBondContact O-N 3.22Å; G256-M258 PolarHBondContact O-N 3.1Å; G256-I283 VanDerWaalsContact O-CG2 3.23Å; G256-I283 WeakPolarHBondContact O-CG2 3.26Å |
| 257 | C | 82.6 | Confident | 77.6 | Confident | 4 Ų | 4 | 70.3 Ų | 70.3 | 3% | 0.027 | 37% | 0.372 | C | S | . | . | trans | -60.4 | 123.7 | -175.1 | -56.5 | 0 | 0 | 0 | 0 | 112.7 | R254 G255 Y259 F260 C261 C270 | R254-C257 HydrophobicContact CB-CB 4.28Å; R254-C257 WeakPolarHBondContact O-CB 3.42Å; R254-C257 PolarHBondContact O-N 3.04Å; R254-C257 PolarHBondContact O-SG 3Å; G255-C257 VanDerWaalsContact C-N 3.27Å; C257-Y259 VanDerWaalsContact C-N 3.27Å; C257-Y259 PolarHBondContact O-N 3.37Å; C257-F260 VanDerWaalsContact CB-O 3.27Å; C257-F260 WeakPolarHBondContact CB-O 3.4Å; C257-C261 HydrophobicContact CB-CB 3.95Å; C257-C270 WeakPolarHBondContact CA-SG 3.32Å; C257-C270 HydrophobicContact CB-CB 3.57Å; C257-C270 WeakPolarHBondContact CB-SG 3.48Å; C257-C270 WeakPolarHBondContact SG-CA 3.49Å; C257-C270 WeakPolarHBondContact SG-CB 3.23Å; C257-C270 CovalentContact SG-SG 2.02Å; C257-C270 PolarHBondContact SG-SG 3.45Å | ||
| 258 | M | 82 | Confident | 77.9 | Confident | 100 Ų | 100 | 71.7 Ų | 71.7 | 49% | 0.493 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -62.6 | -28.4 | -173.7 | -175.5 | 173.2 | 172.6 | 0 | 0 | 114.2 | G256 I283 C285 | G256-M258 PolarHBondContact O-N 3.1Å; M258-I283 PolarHBondContact N-O 3.32Å; M258-C285 HydrophobicContact CB-CB 4.39Å; M258-C285 HydrophobicContact SD-CB 4.33Å; M258-C285 PolarHBondContact SD-N 2.75Å |
| 259 | Y | 81.1 | Confident | 78.2 | Confident | 77 Ų | 77 | 74.3 Ų | 74.3 | 30% | 0.302 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -125 | -84.2 | 174.8 | -76.9 | -101.8 | 0 | 0 | 0 | 112.6 | R254 C257 P273 M276 C285 | R254-Y259 VanDerWaalsContact CD-O 3.23Å; R254-Y259 WeakPolarHBondContact CD-O 3.45Å; R254-Y259 PolarHBondContact NH1-O 3.43Å; C257-Y259 VanDerWaalsContact C-N 3.27Å; C257-Y259 PolarHBondContact O-N 3.37Å; Y259-P273 VanDerWaalsContact CD1-CD 3.5Å; Y259-P273 HydrophobicContact CD1-CG 3.29Å; Y259-P273 HydrophobicContact CE1-CG 3.67Å; Y259-P273 VanDerWaalsContact CG-CD 3.46Å; Y259-P273 HydrophobicContact CG-CG 3.85Å; Y259-M276 HydrophobicContact CE2-SD 3.67Å; Y259-M276 WeakPolarHBondContact OH-CE 3.46Å; Y259-M276 PolarHBondContact OH-SD 3.5Å; Y259-C285 HydrophobicContact CD2-CB 3.43Å; Y259-C285 VanDerWaalsContact CD2-CB 3.43Å; Y259-C285 HydrophobicContact CE2-CB 3.82Å; Y259-C285 HydrophobicContact CG-CB 4.44Å |
| 260 | F | 82.8 | Confident | 78.3 | Confident | 112 Ų | 112 | 72.9 Ų | 72.9 | 49% | 0.491 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 144.5 | -177.6 | -51.1 | -58.5 | 0 | 0 | 0 | 110.3 | C257 C270 A271 P273 | C257-F260 VanDerWaalsContact CB-O 3.27Å; C257-F260 WeakPolarHBondContact CB-O 3.4Å; F260-C270 CarbonylContact O-C 3.45Å; F260-C270 WeakPolarHBondContact O-CA 3.42Å; F260-A271 WeakPolarHBondContact CA-O 3.44Å; F260-A271 HydrophobicContact CB-CB 4.09Å; F260-A271 WeakPolarHBondContact CB-O 3.11Å; F260-A271 PolarHBondContact N-O 3.48Å; F260-A271 PolarHBondContact O-N 3.23Å; F260-P273 HydrophobicContact CE2-CB 4.49Å; F260-P273 HydrophobicContact CE2-CG 3.97Å; F260-P273 HydrophobicContact CZ-CG 4.25Å |
| 261 | C | 87 | Confident | 78 | Confident | 28 Ų | 28 | 72.9 Ų | 72.9 | 19% | 0.189 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 133.4 | 169.7 | -178.2 | 0 | 0 | 0 | 0 | 107.4 | C250 R254 C257 | C250-C261 WeakPolarHBondContact CA-SG 3.45Å; C250-C261 HydrophobicContact CB-CB 3.6Å; C250-C261 WeakPolarHBondContact CB-SG 3.47Å; C250-C261 WeakPolarHBondContact SG-CB 3.37Å; C250-C261 CovalentContact SG-SG 2.03Å; C250-C261 PolarHBondContact SG-SG 3.28Å; R254-C261 HydrophobicContact CB-CB 4.01Å; R254-C261 VanDerWaalsContact O-CB 3.23Å; R254-C261 WeakPolarHBondContact O-CB 3.04Å; R254-C261 PolarHBondContact O-SG 2.78Å; C257-C261 HydrophobicContact CB-CB 3.95Å |
| 262 | E | 83.2 | Confident | 77.8 | Confident | 80 Ų | 80 | 69.1 Ų | 69.1 | 37% | 0.374 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 109.4 | 176.7 | -61.3 | -178.8 | 104.4 | 0 | 0 | 107.6 | R269 | E262-R269 HydrophobicContact CB-CG 3.96Å; E262-R269 PolarHBondContact N-O 3.1Å; E262-R269 PolarHBondContact O-N 3.29Å; E262-R269 IonicContact OE1-NH2 2.7Å; E262-R269 PolarHBondContact OE1-NH2 2.75Å; E262-R269 IonicContact OE2-CZ 3.48Å; E262-R269 IonicContact OE2-NE 2.74Å; E262-R269 PolarHBondContact OE2-NE 2.86Å; E262-R269 IonicContact OE2-NH2 3.18Å; E262-R269 PolarHBondContact OE2-NH2 3.05Å |
| 263 | N | 80.5 | Confident | 78.2 | Confident | 52 Ų | 52 | 60.8 Ų | 60.8 | 28% | 0.278 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 143.3 | 178.7 | -175.9 | 44.5 | 0 | 0 | 0 | 111 | D246 I247 C250 | D246-N263 PolarHBondContact OD2-ND2 3.38Å; I247-N263 PolarHBondContact O-OD1 3.27Å; C250-N263 PolarHBondContact SG-N 3.48Å; C250-N263 VanDerWaalsContact SG-N 3.36Å |
| 264 | L | 75.8 | Confident | 77.6 | Confident | 61 Ų | 61 | 61.9 Ų | 61.9 | 32% | 0.319 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 153.6 | -179.6 | -46.5 | 166.4 | 0 | 0 | 0 | 110 | G266 G267 R269 | L264-G266 PolarHBondContact O-N 3.46Å; L264-G267 CarbonylContact C-O 3.51Å; L264-G267 WeakPolarHBondContact CA-O 3.05Å; L264-G267 WeakPolarHBondContact CB-O 3.01Å; L264-G267 PolarHBondContact N-O 3.32Å; L264-G267 CarbonylContact O-C 3.57Å; L264-G267 PolarHBondContact O-N 3.01Å; L264-R269 HydrophobicContact CD1-CB 4.25Å; L264-R269 HydrophobicContact CD1-CG 4.04Å; L264-R269 VanDerWaalsContact CD2-NH1 3.29Å |
| 265 | P | 76.2 | Confident | 77.1 | Confident | 112 Ų | 112 | 59.9 Ų | 59.9 | 73% | 0.727 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 101.5 | 177.3 | -27 | 36.6 | 0 | 0 | 0 | 113.1 | Y235 D246 | Y235-P265 WeakPolarHBondContact OH-CA 3.03Å; Y235-P265 WeakPolarHBondContact OH-CB 3.24Å; D246-P265 VanDerWaalsContact OD1-CA 3.31Å; D246-P265 WeakPolarHBondContact OD1-CA 3Å |
| 266 | G | 69.1 | Low | 77.4 | Confident | 32 Ų | 32 | 60.6 Ų | 60.6 | 33% | 0.33 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.3 | 18.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y235 D246 L264 | Y235-G266 PolarHBondContact OH-N 2.89Å; D246-G266 PolarHBondContact OD1-N 2.91Å; L264-G266 PolarHBondContact O-N 3.46Å |
| 267 | G | 76.6 | Confident | 76.8 | Confident | 17 Ų | 17 | 61.5 Ų | 61.5 | 18% | 0.175 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 152.4 | 179.5 | 170 | 0 | 0 | 0 | 0 | 0 | 113.4 | E249 L264 | E249-G267 VanDerWaalsContact OE2-CA 3.24Å; E249-G267 WeakPolarHBondContact OE2-CA 3.41Å; L264-G267 CarbonylContact C-O 3.51Å; L264-G267 WeakPolarHBondContact CA-O 3.05Å; L264-G267 WeakPolarHBondContact CB-O 3.01Å; L264-G267 PolarHBondContact N-O 3.32Å; L264-G267 CarbonylContact O-C 3.57Å; L264-G267 PolarHBondContact O-N 3.01Å |
| 268 | Y | 85.1 | Confident | 76 | Confident | 91 Ų | 91 | 64 Ų | 64 | 36% | 0.357 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 167.3 | -174.8 | 68.2 | -72.9 | 0 | 0 | 0 | 113.7 | E249 G255 | E249-Y268 HydrophobicContact CB-CD1 3.5Å; E249-Y268 HydrophobicContact CB-CE1 4.09Å; E249-Y268 HydrophobicContact CB-CG 3.89Å; E249-Y268 HydrophobicContact CG-CD1 3.65Å; E249-Y268 HydrophobicContact CG-CE1 4.1Å; E249-Y268 HydrophobicContact CG-CG 4.49Å; E249-Y268 VanDerWaalsContact OE2-CD1 3.26Å; E249-Y268 WeakPolarHBondContact OE2-CD1 3.06Å; E249-Y268 PolarHBondContact OE2-N 3.03Å; E249-Y268 VanDerWaalsContact OE2-N 3.1Å; G255-Y268 WeakPolarHBondContact O-CE2 3.16Å; G255-Y268 VanDerWaalsContact O-CZ 3.26Å; G255-Y268 PolarHBondContact O-OH 2.98Å; G255-Y268 VanDerWaalsContact O-OH 3.12Å |
| 269 | R | 84.4 | Confident | 75.2 | Confident | 120 Ų | 120 | 60 Ų | 60 | 45% | 0.453 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 148.8 | 160.1 | 69.2 | 178.3 | -173.9 | -109.7 | -8.6 | 111.1 | E262 L264 | E262-R269 HydrophobicContact CB-CG 3.96Å; E262-R269 PolarHBondContact N-O 3.1Å; E262-R269 PolarHBondContact O-N 3.29Å; E262-R269 IonicContact OE1-NH2 2.7Å; E262-R269 PolarHBondContact OE1-NH2 2.75Å; E262-R269 IonicContact OE2-CZ 3.48Å; E262-R269 IonicContact OE2-NE 2.74Å; E262-R269 PolarHBondContact OE2-NE 2.86Å; E262-R269 IonicContact OE2-NH2 3.18Å; E262-R269 PolarHBondContact OE2-NH2 3.05Å; L264-R269 HydrophobicContact CD1-CB 4.25Å; L264-R269 HydrophobicContact CD1-CG 4.04Å; L264-R269 VanDerWaalsContact CD2-NH1 3.29Å |
| 270 | C | 85.4 | Confident | 74.5 | Confident | 11 Ų | 11 | 62.7 Ų | 62.7 | 7% | 0.074 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 147.1 | 171.9 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | C257 F260 L278 K282 | C257-C270 WeakPolarHBondContact CA-SG 3.32Å; C257-C270 HydrophobicContact CB-CB 3.57Å; C257-C270 WeakPolarHBondContact CB-SG 3.48Å; C257-C270 WeakPolarHBondContact SG-CA 3.49Å; C257-C270 WeakPolarHBondContact SG-CB 3.23Å; C257-C270 CovalentContact SG-SG 2.02Å; C257-C270 PolarHBondContact SG-SG 3.45Å; F260-C270 CarbonylContact O-C 3.45Å; F260-C270 WeakPolarHBondContact O-CA 3.42Å; C270-L278 HydrophobicContact CB-CD1 3.33Å; C270-L278 HydrophobicContact CB-CD2 4.04Å; C270-L278 HydrophobicContact CB-CG 4.31Å; C270-L278 WeakPolarHBondContact O-CD2 3.26Å; C270-K282 VanDerWaalsContact CB-O 3.31Å; C270-K282 WeakPolarHBondContact CB-O 3Å; C270-K282 PolarHBondContact SG-O 2.78Å |
| 271 | A | 77.6 | Confident | 73.7 | Confident | 28 Ų | 28 | 60.9 Ų | 60.9 | 23% | 0.231 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 161.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | F260 | F260-A271 WeakPolarHBondContact CA-O 3.44Å; F260-A271 HydrophobicContact CB-CB 4.09Å; F260-A271 WeakPolarHBondContact CB-O 3.11Å; F260-A271 PolarHBondContact N-O 3.48Å; F260-A271 PolarHBondContact O-N 3.23Å |
| 272 | C | 76.1 | Confident | 72.9 | Confident | 28 Ų | 28 | 67 Ų | 67 | 19% | 0.189 | 38% | 0.379 | C | S | . | . | trans | -129.8 | 157.5 | -170.5 | -56.2 | 0 | 0 | 0 | 0 | 111.8 | M276 L278 C285 | C272-M276 HydrophobicContact CB-CB 4.05Å; C272-M276 WeakPolarHBondContact CB-O 3.37Å; C272-L278 PolarHBondContact SG-N 2.03Å; C272-C285 VanDerWaalsContact CA-SG 3.59Å; C272-C285 HydrophobicContact CB-CB 3.8Å; C272-C285 WeakPolarHBondContact CB-SG 3.03Å; C272-C285 WeakPolarHBondContact SG-CB 3.42Å; C272-C285 CovalentContact SG-SG 2.03Å; C272-C285 PolarHBondContact SG-SG 2.02Å | ||
| 273 | P | 76.1 | Confident | 72.6 | Confident | 25 Ų | 25 | 66.2 Ų | 66.2 | 16% | 0.162 | 38% | 0.377 | C | S | . | . | trans | -55.8 | 160.2 | 170 | -28.3 | 37.3 | 0 | 0 | 0 | 112.8 | Y259 F260 D275 M276 | Y259-P273 VanDerWaalsContact CD1-CD 3.5Å; Y259-P273 HydrophobicContact CD1-CG 3.29Å; Y259-P273 HydrophobicContact CE1-CG 3.67Å; Y259-P273 VanDerWaalsContact CG-CD 3.46Å; Y259-P273 HydrophobicContact CG-CG 3.85Å; F260-P273 HydrophobicContact CE2-CB 4.49Å; F260-P273 HydrophobicContact CE2-CG 3.97Å; F260-P273 HydrophobicContact CZ-CG 4.25Å; P273-D275 WeakPolarHBondContact CB-OD1 3.3Å; P273-D275 PolarHBondContact O-N 3.45Å; P273-M276 CarbonylContact O-C 3.52Å; P273-M276 PolarHBondContact O-N 2.91Å | ||
| 274 | S | 58.6 | Low | 72.5 | Confident | 137 Ų | 137 | 65.8 Ų | 65.8 | 96% | 0.958 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -11.4 | -177.1 | 41 | 0 | 0 | 0 | 0 | 115.2 | ||
| 275 | D | 59 | Low | 72.4 | Confident | 95 Ų | 95 | 62.9 Ų | 62.9 | 51% | 0.508 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 6.2 | 172.2 | 63 | -43.8 | 0 | 0 | 0 | 113.9 | P273 F288 | P273-D275 WeakPolarHBondContact CB-OD1 3.3Å; P273-D275 PolarHBondContact O-N 3.45Å; D275-F288 VanDerWaalsContact O-CB 3.22Å; D275-F288 WeakPolarHBondContact O-CB 3.3Å; D275-F288 PolarHBondContact O-N 2.04Å |
| 276 | M | 72.4 | Confident | 71.8 | Confident | 28 Ų | 28 | 61.3 Ų | 61.3 | 14% | 0.138 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 157.7 | -177 | -53.5 | -145.6 | 178.5 | 0 | 0 | 112.2 | Y259 C272 P273 C285 I286 P287 Y310 | Y259-M276 HydrophobicContact CE2-SD 3.67Å; Y259-M276 WeakPolarHBondContact OH-CE 3.46Å; Y259-M276 PolarHBondContact OH-SD 3.5Å; C272-M276 HydrophobicContact CB-CB 4.05Å; C272-M276 WeakPolarHBondContact CB-O 3.37Å; P273-M276 CarbonylContact O-C 3.52Å; P273-M276 PolarHBondContact O-N 2.91Å; M276-C285 HydrophobicContact CB-CB 4.19Å; M276-C285 HydrophobicContact SD-CB 4.49Å; M276-I286 VanDerWaalsContact CA-O 3.29Å; M276-I286 WeakPolarHBondContact CA-O 3.31Å; M276-I286 WeakPolarHBondContact CB-O 3.03Å; M276-P287 HydrophobicContact CE-CB 4.25Å; M276-P287 HydrophobicContact CE-CG 4.05Å; M276-P287 HydrophobicContact SD-CB 4.48Å; M276-P287 HydrophobicContact SD-CG 4.2Å; M276-Y310 VanDerWaalsContact C-OH 3.22Å; M276-Y310 WeakPolarHBondContact CA-OH 3.32Å |
| 277 | V | 61 | Low | 71.2 | Confident | 54 Ų | 54 | 62.8 Ų | 62.8 | 33% | 0.327 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 166.6 | 162.9 | -52.4 | 0 | 0 | 0 | 0 | 113.3 | C285 I286 Y310 | V277-C285 CarbonylContact O-C 3.36Å; V277-C285 VanDerWaalsContact O-CA 3.32Å; V277-C285 WeakPolarHBondContact O-CA 3.42Å; V277-I286 PolarHBondContact N-O 2.85Å; V277-I286 VanDerWaalsContact N-O 3.09Å; V277-I286 WeakPolarHBondContact O-CG1 3.42Å; V277-I286 PolarHBondContact O-N 3.46Å; V277-Y310 HydrophobicContact CB-CD2 3.94Å; V277-Y310 HydrophobicContact CB-CE2 3.65Å; V277-Y310 HydrophobicContact CG1-CD2 3.69Å; V277-Y310 HydrophobicContact CG1-CE2 3.26Å; V277-Y310 HydrophobicContact CG2-CD1 3.78Å; V277-Y310 HydrophobicContact CG2-CD2 3.12Å; V277-Y310 HydrophobicContact CG2-CE1 3.84Å; V277-Y310 HydrophobicContact CG2-CE2 3.26Å; V277-Y310 HydrophobicContact CG2-CG 3.41Å; V277-Y310 VanDerWaalsContact CG2-CG 3.41Å; V277-Y310 PolarHBondContact N-OH 3.26Å |
| 278 | L | 67.1 | Low | 69.8 | Low | 56 Ų | 56 | 67.2 Ų | 67.2 | 29% | 0.293 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 126 | -179.4 | -152.3 | 69.9 | 0 | 0 | 0 | 112 | C270 C272 K282 S284 | C270-L278 HydrophobicContact CB-CD1 3.33Å; C270-L278 HydrophobicContact CB-CD2 4.04Å; C270-L278 HydrophobicContact CB-CG 4.31Å; C270-L278 WeakPolarHBondContact O-CD2 3.26Å; C272-L278 PolarHBondContact SG-N 2.03Å; L278-K282 HydrophobicContact CD2-CB 4Å; L278-K282 WeakPolarHBondContact CD2-O 3.02Å; L278-S284 CarbonylContact C-O 3.55Å; L278-S284 WeakPolarHBondContact CA-O 3.35Å |
| 279 | A | 65.2 | Low | 68.5 | Low | 15 Ų | 15 | 69.3 Ų | 69.3 | 12% | 0.124 | 38% | 0.377 | C | S | . | . | trans | -73.7 | 173.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | D281 K282 S284 I286 | A279-D281 WeakPolarHBondContact CB-OD1 3.34Å; A279-D281 PolarHBondContact O-N 3.37Å; A279-D281 VanDerWaalsContact O-N 3.07Å; A279-K282 PolarHBondContact O-N 3.38Å; A279-S284 WeakPolarHBondContact CB-O 3.42Å; A279-S284 PolarHBondContact N-O 3.46Å; A279-I286 HydrophobicContact CB-CG1 4.42Å; A279-I286 HydrophobicContact CB-CG2 4.34Å | ||
| 280 | P | 66.2 | Low | 67 | Low | 135 Ų | 135 | 64.9 Ų | 64.9 | 88% | 0.877 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -17.3 | -176.2 | -25.7 | 36.3 | 0 | 0 | 0 | 115.3 | K282 | P280-K282 PolarHBondContact O-N 3.06Š|
| 281 | D | 65 | Low | 65.7 | Low | 73 Ų | 73 | 66 Ų | 66 | 39% | 0.39 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -13.7 | 172.8 | 61.1 | 4.4 | 0 | 0 | 0 | 113.5 | A279 I283 S284 | A279-D281 WeakPolarHBondContact CB-OD1 3.34Å; A279-D281 PolarHBondContact O-N 3.37Å; A279-D281 VanDerWaalsContact O-N 3.07Å; D281-I283 HydrophobicContact CB-CB 4.34Å; D281-I283 WeakPolarHBondContact O-CG1 3.28Å; D281-I283 PolarHBondContact O-N 3.01Å; D281-I283 PolarHBondContact OD1-N 2.97Å; D281-S284 PolarHBondContact OD1-N 2.98Å; D281-S284 WeakPolarHBondContact OD2-CB 3.1Å; D281-S284 PolarHBondContact OD2-N 3.17Å; D281-S284 PolarHBondContact OD2-OG 3.36Å |
| 282 | K | 70 | Confident | 65.3 | Low | 157 Ų | 157 | 65.7 Ų | 65.7 | 68% | 0.683 | 37% | 0.366 | S | S | * | . | S | Bend | trans | 61.8 | 20.7 | -169.7 | -54.8 | 179.4 | -179.4 | 176.3 | 0 | 114.5 | C270 L278 A279 P280 | C270-K282 VanDerWaalsContact CB-O 3.31Å; C270-K282 WeakPolarHBondContact CB-O 3Å; C270-K282 PolarHBondContact SG-O 2.78Å; L278-K282 HydrophobicContact CD2-CB 4Å; L278-K282 WeakPolarHBondContact CD2-O 3.02Å; A279-K282 PolarHBondContact O-N 3.38Å; P280-K282 PolarHBondContact O-N 3.06Å |
| 283 | I | 77.8 | Confident | 64.6 | Low | 64 Ų | 64 | 71 Ų | 71 | 33% | 0.328 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -130 | -51.2 | -168.7 | -70.9 | 171.5 | 0 | 0 | 0 | 110.7 | G256 M258 D281 | G256-I283 VanDerWaalsContact O-CG2 3.23Å; G256-I283 WeakPolarHBondContact O-CG2 3.26Å; M258-I283 PolarHBondContact N-O 3.32Å; D281-I283 HydrophobicContact CB-CB 4.34Å; D281-I283 WeakPolarHBondContact O-CG1 3.28Å; D281-I283 PolarHBondContact O-N 3.01Å; D281-I283 PolarHBondContact OD1-N 2.97Å |
| 284 | S | 78.4 | Confident | 63.7 | Low | 42 Ų | 42 | 75.2 Ų | 75.2 | 29% | 0.294 | 41% | 0.405 | S | S | . | . | trans | -80.3 | 145.3 | -178.8 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | L278 A279 D281 | L278-S284 CarbonylContact C-O 3.55Å; L278-S284 WeakPolarHBondContact CA-O 3.35Å; A279-S284 WeakPolarHBondContact CB-O 3.42Å; A279-S284 PolarHBondContact N-O 3.46Å; D281-S284 PolarHBondContact OD1-N 2.98Å; D281-S284 WeakPolarHBondContact OD2-CB 3.1Å; D281-S284 PolarHBondContact OD2-N 3.17Å; D281-S284 PolarHBondContact OD2-OG 3.36Å | ||
| 285 | C | 73.2 | Confident | 63.6 | Low | 1 Ų | 1 | 73.1 Ų | 73.1 | 1% | 0.007 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 115.4 | 168.5 | -63.8 | 0 | 0 | 0 | 0 | 109.6 | M258 Y259 C272 M276 V277 | M258-C285 HydrophobicContact CB-CB 4.39Å; M258-C285 HydrophobicContact SD-CB 4.33Å; M258-C285 PolarHBondContact SD-N 2.75Å; Y259-C285 HydrophobicContact CD2-CB 3.43Å; Y259-C285 VanDerWaalsContact CD2-CB 3.43Å; Y259-C285 HydrophobicContact CE2-CB 3.82Å; Y259-C285 HydrophobicContact CG-CB 4.44Å; C272-C285 VanDerWaalsContact CA-SG 3.59Å; C272-C285 HydrophobicContact CB-CB 3.8Å; C272-C285 WeakPolarHBondContact CB-SG 3.03Å; C272-C285 WeakPolarHBondContact SG-CB 3.42Å; C272-C285 CovalentContact SG-SG 2.03Å; C272-C285 PolarHBondContact SG-SG 2.02Å; M276-C285 HydrophobicContact CB-CB 4.19Å; M276-C285 HydrophobicContact SD-CB 4.49Å; V277-C285 CarbonylContact O-C 3.36Å; V277-C285 VanDerWaalsContact O-CA 3.32Å; V277-C285 WeakPolarHBondContact O-CA 3.42Å |
| 286 | I | 63.9 | Low | 63.3 | Low | 78 Ų | 78 | 73 Ų | 73 | 40% | 0.4 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 142 | 175.8 | 47.6 | 169 | 0 | 0 | 0 | 110.3 | M276 V277 A279 Y310 | M276-I286 VanDerWaalsContact CA-O 3.29Å; M276-I286 WeakPolarHBondContact CA-O 3.31Å; M276-I286 WeakPolarHBondContact CB-O 3.03Å; V277-I286 PolarHBondContact N-O 2.85Å; V277-I286 VanDerWaalsContact N-O 3.09Å; V277-I286 WeakPolarHBondContact O-CG1 3.42Å; V277-I286 PolarHBondContact O-N 3.46Å; A279-I286 HydrophobicContact CB-CG1 4.42Å; A279-I286 HydrophobicContact CB-CG2 4.34Å; I286-Y310 HydrophobicContact CD1-CD1 3.73Å; I286-Y310 HydrophobicContact CD1-CE1 3.84Å; I286-Y310 HydrophobicContact CG1-CD1 4.13Å; I286-Y310 HydrophobicContact CG1-CE1 3.76Å; I286-Y310 PolarHBondContact O-OH 3.25Å |
| 287 | P | 56.9 | Low | 63 | Low | 63 Ų | 63 | 74.2 Ų | 74.2 | 41% | 0.409 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 151.2 | 176.6 | -20.8 | 31.8 | 0 | 0 | 0 | 113 | M276 F289 | M276-P287 HydrophobicContact CE-CB 4.25Å; M276-P287 HydrophobicContact CE-CG 4.05Å; M276-P287 HydrophobicContact SD-CB 4.48Å; M276-P287 HydrophobicContact SD-CG 4.2Å; P287-F289 HydrophobicContact CB-CD2 4.21Å; P287-F289 HydrophobicContact CB-CE2 4.23Å; P287-F289 PolarHBondContact O-N 2.86Å |
| 288 | F | 47.7 | Very low | 63.1 | Low | 111 Ų | 111 | 72.1 Ų | 72.1 | 49% | 0.487 | 39% | 0.389 | S | S | . | . | trans | -75.6 | 77.4 | 176.6 | -174.1 | -109.9 | 0 | 0 | 0 | 111 | D275 N290 Y310 | D275-F288 VanDerWaalsContact O-CB 3.22Å; D275-F288 WeakPolarHBondContact O-CB 3.3Å; D275-F288 PolarHBondContact O-N 2.04Å; F288-N290 PolarHBondContact O-N 3.2Å; F288-Y310 WeakPolarHBondContact CA-OH 3.44Å; F288-Y310 HydrophobicContact CB-CE2 4.31Å; F288-Y310 VanDerWaalsContact CB-OH 3.27Å; F288-Y310 WeakPolarHBondContact CB-OH 3.04Å; F288-Y310 HydrophobicContact CD2-CD2 4.06Å; F288-Y310 HydrophobicContact CD2-CE1 4.48Å; F288-Y310 AromaticContact CD2-CE2 3.47Å; F288-Y310 HydrophobicContact CD2-CE2 3.47Å; F288-Y310 VanDerWaalsContact CD2-CE2 3.47Å; F288-Y310 AromaticContact CD2-CZ 3.75Å; F288-Y310 HydrophobicContact CE2-CD2 4.5Å; F288-Y310 HydrophobicContact CE2-CE2 4.29Å; F288-Y310 HydrophobicContact CG-CE2 4.34Å; F288-Y310 PolarHBondContact N-OH 3.39Å | ||
| 289 | F | 56 | Low | 63.3 | Low | 134 Ų | 134 | 73.8 Ų | 73.8 | 59% | 0.588 | 40% | 0.398 | S | S | * | . | trans | -73.1 | 116.6 | 156.1 | -80.7 | -90.4 | 0 | 0 | 0 | 108.3 | P287 P291 | P287-F289 HydrophobicContact CB-CD2 4.21Å; P287-F289 HydrophobicContact CB-CE2 4.23Å; P287-F289 PolarHBondContact O-N 2.86Å; F289-P291 WeakPolarHBondContact O-CD 2.92Å; F289-P291 VanDerWaalsContact O-N 3.12Å | ||
| 290 | N | 54.4 | Low | 64 | Low | 27 Ų | 27 | 73.5 Ų | 73.5 | 14% | 0.144 | 40% | 0.395 | C | S | . | . | trans | -60.4 | 112.5 | 158.3 | -178 | -10.6 | 0 | 0 | 0 | 107.2 | F288 C292 E293 S306 | F288-N290 PolarHBondContact O-N 3.2Å; N290-C292 PolarHBondContact O-N 3.46Å; N290-C292 VanDerWaalsContact O-N 3.12Å; N290-C292 PolarHBondContact OD1-N 3.08Å; N290-E293 HydrophobicContact CB-CB 4.31Å; N290-E293 HydrophobicContact CB-CG 4.37Å; N290-E293 VanDerWaalsContact CB-OE2 3.24Å; N290-E293 WeakPolarHBondContact CB-OE2 3.28Å; N290-E293 WeakPolarHBondContact ND2-CG 3.45Å; N290-E293 PolarHBondContact ND2-OE2 3.07Å; N290-E293 PolarHBondContact O-N 2.02Å; N290-S306 WeakPolarHBondContact OD1-CB 3.44Å | ||
| 291 | P | 56.7 | Low | 64.6 | Low | 34 Ų | 34 | 72 Ų | 72 | 22% | 0.221 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -29.4 | -171.4 | -25 | 38 | 0 | 0 | 0 | 111.9 | F289 G298 Y312 | F289-P291 WeakPolarHBondContact O-CD 2.92Å; F289-P291 VanDerWaalsContact O-N 3.12Å; P291-G298 WeakPolarHBondContact O-CA 3.12Å; P291-G298 PolarHBondContact O-N 3.11Å; P291-Y312 HydrophobicContact CB-CD1 3.57Å; P291-Y312 HydrophobicContact CB-CD2 4.31Å; P291-Y312 HydrophobicContact CB-CE1 4.03Å; P291-Y312 HydrophobicContact CB-CG 3.72Å; P291-Y312 HydrophobicContact CG-CD1 3.47Å; P291-Y312 VanDerWaalsContact CG-CD1 3.47Å; P291-Y312 HydrophobicContact CG-CE1 4.14Å; P291-Y312 HydrophobicContact CG-CG 3.93Å |
| 292 | C | 70.6 | Confident | 65.5 | Low | 23 Ų | 23 | 70.4 Ų | 70.4 | 16% | 0.155 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -25.8 | -172.7 | -53 | 0 | 0 | 0 | 0 | 114.3 | N290 C304 | N290-C292 PolarHBondContact O-N 3.46Å; N290-C292 VanDerWaalsContact O-N 3.12Å; N290-C292 PolarHBondContact OD1-N 3.08Å; C292-C304 WeakPolarHBondContact CA-SG 3.26Å; C292-C304 HydrophobicContact CB-CB 3.51Å; C292-C304 WeakPolarHBondContact CB-SG 3.23Å; C292-C304 WeakPolarHBondContact SG-CB 3.36Å; C292-C304 PolarHBondContact SG-O 2.98Å; C292-C304 VanDerWaalsContact SG-O 3.41Å; C292-C304 CovalentContact SG-SG 2.04Å; C292-C304 PolarHBondContact SG-SG 2.91Å |
| 293 | E | 60.9 | Low | 65.9 | Low | 138 Ų | 138 | 66.2 Ų | 66.2 | 65% | 0.645 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -16.1 | -170.1 | -78.6 | 179.1 | 126.2 | 0 | 0 | 114.8 | N290 | N290-E293 HydrophobicContact CB-CB 4.31Å; N290-E293 HydrophobicContact CB-CG 4.37Å; N290-E293 VanDerWaalsContact CB-OE2 3.24Å; N290-E293 WeakPolarHBondContact CB-OE2 3.28Å; N290-E293 WeakPolarHBondContact ND2-CG 3.45Å; N290-E293 PolarHBondContact ND2-OE2 3.07Å; N290-E293 PolarHBondContact O-N 2.02Å |
| 294 | H | 56.5 | Low | 66.1 | Low | 114 Ų | 114 | 64 Ų | 64 | 53% | 0.528 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -106.4 | 145.7 | 177.7 | -73.9 | 67.1 | 0 | 0 | 0 | 110.9 | N297 | H294-N297 PolarHBondContact O-N 3.07Å; H294-N297 VanDerWaalsContact O-N 3.09Å |
| 295 | P | 56.1 | Low | 66 | Low | 93 Ų | 93 | 64.7 Ų | 64.7 | 60% | 0.604 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | 131.4 | 179.3 | 27.1 | -32.9 | 0 | 0 | 0 | 109.9 | ||
| 296 | P | 54.1 | Low | 65.8 | Low | 93 Ų | 93 | 67.7 Ų | 67.7 | 60% | 0.604 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -111.4 | 81 | 13.4 | 38.6 | -28 | 0 | 0 | 0 | 113.9 | G298 D299 | P296-G298 PolarHBondContact O-N 3.31Å; P296-D299 VanDerWaalsContact O-CA 3.29Å; P296-D299 WeakPolarHBondContact O-CA 3.44Å; P296-D299 PolarHBondContact O-N 3.37Å |
| 297 | N | 66 | Low | 65.3 | Low | 54 Ų | 54 | 67.2 Ų | 67.2 | 29% | 0.289 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | 55.8 | 43.4 | 164.8 | -173.2 | 45.8 | 0 | 0 | 0 | 113.6 | H294 D299 C300 C304 | H294-N297 PolarHBondContact O-N 3.07Å; H294-N297 VanDerWaalsContact O-N 3.09Å; N297-D299 PolarHBondContact O-N 2.99Å; N297-C300 PolarHBondContact ND2-O 3.17Å; N297-C300 WeakPolarHBondContact O-CA 3.29Å; N297-C300 WeakPolarHBondContact O-CB 3.36Å; N297-C300 PolarHBondContact O-N 2.8Å; N297-C300 PolarHBondContact O-SG 3.3Å; N297-C304 WeakPolarHBondContact O-CB 3.33Å; N297-C304 VanDerWaalsContact OD1-CB 3.24Å; N297-C304 WeakPolarHBondContact OD1-CB 3.46Å |
| 298 | G | 62.4 | Low | 65.2 | Low | 9 Ų | 9 | 69.7 Ų | 69.7 | 9% | 0.093 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | 66.5 | 13.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | P291 P296 C300 Y312 | P291-G298 WeakPolarHBondContact O-CA 3.12Å; P291-G298 PolarHBondContact O-N 3.11Å; P296-G298 PolarHBondContact O-N 3.31Å; G298-C300 PolarHBondContact O-N 2.03Å; G298-Y312 WeakPolarHBondContact O-CE2 3Å; G298-Y312 PolarHBondContact O-OH 3.39Å |
| 299 | D | 71.3 | Confident | 65.2 | Low | 92 Ų | 92 | 66.5 Ų | 66.5 | 49% | 0.492 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | 63.7 | 20.4 | -165.6 | -164.4 | 31.1 | 0 | 0 | 0 | 112.2 | P296 N297 K327 | P296-D299 VanDerWaalsContact O-CA 3.29Å; P296-D299 WeakPolarHBondContact O-CA 3.44Å; P296-D299 PolarHBondContact O-N 3.37Å; N297-D299 PolarHBondContact O-N 2.99Å; D299-K327 HydrophobicContact CB-CD 3.94Å; D299-K327 VanDerWaalsContact O-CB 3.23Å; D299-K327 WeakPolarHBondContact O-CB 3.37Å; D299-K327 WeakPolarHBondContact O-CG 3.48Å; D299-K327 VanDerWaalsContact OD2-CD 3.32Å; D299-K327 WeakPolarHBondContact OD2-CD 3Å; D299-K327 WeakPolarHBondContact OD2-CE 3.37Å; D299-K327 IonicContact OD2-NZ 3.1Å; D299-K327 PolarHBondContact OD2-NZ 3.49Å |
| 300 | C | 81.2 | Confident | 65 | Low | 8 Ų | 8 | 62.5 Ų | 62.5 | 5% | 0.054 | 36% | 0.358 | C | S | . | . | trans | -85.2 | 133.6 | 171.8 | -51.1 | 0 | 0 | 0 | 0 | 111.4 | N297 G298 C304 C314 K327 | N297-C300 PolarHBondContact ND2-O 3.17Å; N297-C300 WeakPolarHBondContact O-CA 3.29Å; N297-C300 WeakPolarHBondContact O-CB 3.36Å; N297-C300 PolarHBondContact O-N 2.8Å; N297-C300 PolarHBondContact O-SG 3.3Å; G298-C300 PolarHBondContact O-N 2.03Å; C300-C304 HydrophobicContact CB-CB 4.06Å; C300-C304 VanDerWaalsContact SG-CB 3.5Å; C300-C304 VanDerWaalsContact SG-SG 3.67Å; C300-C314 VanDerWaalsContact CA-SG 3.5Å; C300-C314 HydrophobicContact CB-CB 3.55Å; C300-C314 WeakPolarHBondContact CB-SG 3.46Å; C300-C314 WeakPolarHBondContact SG-CA 3.49Å; C300-C314 WeakPolarHBondContact SG-CB 3.42Å; C300-C314 CovalentContact SG-SG 2.02Å; C300-C314 PolarHBondContact SG-SG 2.89Å; C300-K327 CarbonylContact C-O 3.49Å; C300-K327 WeakPolarHBondContact CA-O 3.43Å | ||
| 301 | E | 78.3 | Confident | 65.1 | Low | 103 Ų | 103 | 69.5 Ų | 69.5 | 48% | 0.481 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -74.7 | -27.8 | -177.3 | 179.9 | 164.9 | -161.6 | 0 | 0 | 113.8 | K327 R328 C329 | E301-K327 PolarHBondContact N-O 2.97Å; E301-R328 WeakPolarHBondContact OE2-CA 3.39Å; E301-R328 WeakPolarHBondContact OE2-CB 3.5Å; E301-R328 VanDerWaalsContact OE2-CG 3.23Å; E301-R328 WeakPolarHBondContact OE2-CG 3.29Å; E301-C329 HydrophobicContact CB-CB 4.2Å; E301-C329 HydrophobicContact CG-CB 4.34Å; E301-C329 PolarHBondContact OE2-N 3.31Å |
| 302 | H | 83 | Confident | 65.8 | Low | 41 Ų | 41 | 71.7 Ų | 71.7 | 19% | 0.19 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -121.7 | -64.3 | -179.7 | -78.9 | 172.2 | 0 | 0 | 0 | 115.4 | K317 Y320 C329 | H302-K317 HydrophobicContact CB-CG 4.27Å; H302-Y320 AromaticContact CE1-CD1 3.34Å; H302-Y320 WeakPolarHBondContact CE1-CD1 2.91Å; H302-Y320 AromaticContact CE1-CD2 3.64Å; H302-Y320 AromaticContact CE1-CE1 3.71Å; H302-Y320 AromaticContact CE1-CE2 4Å; H302-Y320 AromaticContact CE1-CG 3.36Å; H302-Y320 AromaticContact ND1-CG 3.83Å; H302-C329 HydrophobicContact CB-CB 4.13Å; H302-C329 VanDerWaalsContact CB-SG 3.59Å; H302-C329 WeakPolarHBondContact ND1-CB 3.21Å |
| 303 | I | 79.3 | Confident | 66.1 | Low | 68 Ų | 68 | 74.9 Ų | 74.9 | 35% | 0.349 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 133.5 | -174.6 | -54.1 | 168.5 | 0 | 0 | 0 | 107.5 | C314 S315 K317 | I303-C314 CarbonylContact O-C 3.6Å; I303-C314 VanDerWaalsContact O-CA 3.27Å; I303-C314 WeakPolarHBondContact O-CA 3.45Å; I303-S315 WeakPolarHBondContact CB-O 3.33Å; I303-S315 WeakPolarHBondContact CB-OG 3.22Å; I303-S315 WeakPolarHBondContact CG2-OG 3.22Å; I303-S315 PolarHBondContact N-O 3.03Å; I303-S315 PolarHBondContact O-N 3.19Å; I303-K317 HydrophobicContact CD1-CG 4.24Å; I303-K317 HydrophobicContact CG1-CG 4.41Å |
| 304 | C | 82 | Confident | 67.1 | Low | 18 Ų | 18 | 68.6 Ų | 68.6 | 12% | 0.122 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 124.5 | 169.7 | -175.5 | 0 | 0 | 0 | 0 | 108.7 | C292 N297 C300 | C292-C304 WeakPolarHBondContact CA-SG 3.26Å; C292-C304 HydrophobicContact CB-CB 3.51Å; C292-C304 WeakPolarHBondContact CB-SG 3.23Å; C292-C304 WeakPolarHBondContact SG-CB 3.36Å; C292-C304 PolarHBondContact SG-O 2.98Å; C292-C304 VanDerWaalsContact SG-O 3.41Å; C292-C304 CovalentContact SG-SG 2.04Å; C292-C304 PolarHBondContact SG-SG 2.91Å; N297-C304 WeakPolarHBondContact O-CB 3.33Å; N297-C304 VanDerWaalsContact OD1-CB 3.24Å; N297-C304 WeakPolarHBondContact OD1-CB 3.46Å; C300-C304 HydrophobicContact CB-CB 4.06Å; C300-C304 VanDerWaalsContact SG-CB 3.5Å; C300-C304 VanDerWaalsContact SG-SG 3.67Å |
| 305 | T | 75.9 | Confident | 68.2 | Low | 56 Ų | 56 | 64.9 Ų | 64.9 | 34% | 0.344 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 112.1 | 177.6 | -46.6 | 0 | 0 | 0 | 0 | 109.1 | L307 Y312 M313 | T305-L307 PolarHBondContact O-N 3.01Å; T305-Y312 CarbonylContact O-C 3.56Å; T305-Y312 WeakPolarHBondContact O-CA 3.46Å; T305-M313 HydrophobicContact CG2-CE 4.38Å; T305-M313 PolarHBondContact N-O 2.82Å; T305-M313 PolarHBondContact O-N 2.7Å |
| 306 | S | 67.7 | Low | 69.3 | Low | 64 Ų | 64 | 61.8 Ų | 61.8 | 45% | 0.448 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 127 | 175.7 | 50.7 | 0 | 0 | 0 | 0 | 111.1 | N290 | N290-S306 WeakPolarHBondContact OD1-CB 3.44Å |
| 307 | L | 54.7 | Low | 70.2 | Confident | 69 Ų | 69 | 62.7 Ų | 62.7 | 36% | 0.361 | 33% | 0.333 | S | S | . | . | trans | -109 | 160.8 | 174.8 | -68.9 | 169.2 | 0 | 0 | 0 | 110.5 | T305 G309 R311 M313 | T305-L307 PolarHBondContact O-N 3.01Å; L307-G309 PolarHBondContact O-N 3.28Å; L307-R311 CarbonylContact C-O 3.53Å; L307-R311 WeakPolarHBondContact CA-O 3.42Å; L307-R311 HydrophobicContact CB-CB 3.85Å; L307-R311 WeakPolarHBondContact CB-O 3.43Å; L307-R311 HydrophobicContact CD1-CB 4.07Å; L307-R311 PolarHBondContact N-O 3.19Å; L307-R311 VanDerWaalsContact O-O 3.08Å; L307-M313 HydrophobicContact CD1-CB 4.21Å; L307-M313 HydrophobicContact CD1-CE 4.21Å; L307-M313 HydrophobicContact CD2-CE 3.96Å; L307-M313 HydrophobicContact CG-CE 4.29Å | ||
| 308 | P | 54.6 | Low | 70 | Confident | 115 Ų | 115 | 66.5 Ų | 66.5 | 75% | 0.747 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -58.1 | 131.3 | 172.9 | -25.2 | 35.3 | 0 | 0 | 0 | 112.6 | ||
| 309 | G | 46.7 | Very low | 69.5 | Low | 43 Ų | 43 | 67.9 Ų | 67.9 | 44% | 0.443 | 38% | 0.375 | S | S | . | . | S | Bend | trans | 70 | 69.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | L307 R311 | L307-G309 PolarHBondContact O-N 3.28Å; G309-R311 PolarHBondContact O-N 3.22Å |
| 310 | Y | 52.9 | Low | 69.6 | Low | 51 Ų | 51 | 68.3 Ų | 68.3 | 20% | 0.2 | 37% | 0.37 | C | S | . | . | S | Bend | trans | 63.2 | -6.3 | 164.3 | -74 | -113.9 | 0 | 0 | 0 | 116.8 | M276 V277 I286 F288 | M276-Y310 VanDerWaalsContact C-OH 3.22Å; M276-Y310 WeakPolarHBondContact CA-OH 3.32Å; V277-Y310 HydrophobicContact CB-CD2 3.94Å; V277-Y310 HydrophobicContact CB-CE2 3.65Å; V277-Y310 HydrophobicContact CG1-CD2 3.69Å; V277-Y310 HydrophobicContact CG1-CE2 3.26Å; V277-Y310 HydrophobicContact CG2-CD1 3.78Å; V277-Y310 HydrophobicContact CG2-CD2 3.12Å; V277-Y310 HydrophobicContact CG2-CE1 3.84Å; V277-Y310 HydrophobicContact CG2-CE2 3.26Å; V277-Y310 HydrophobicContact CG2-CG 3.41Å; V277-Y310 VanDerWaalsContact CG2-CG 3.41Å; V277-Y310 PolarHBondContact N-OH 3.26Å; I286-Y310 HydrophobicContact CD1-CD1 3.73Å; I286-Y310 HydrophobicContact CD1-CE1 3.84Å; I286-Y310 HydrophobicContact CG1-CD1 4.13Å; I286-Y310 HydrophobicContact CG1-CE1 3.76Å; I286-Y310 PolarHBondContact O-OH 3.25Å; F288-Y310 WeakPolarHBondContact CA-OH 3.44Å; F288-Y310 HydrophobicContact CB-CE2 4.31Å; F288-Y310 VanDerWaalsContact CB-OH 3.27Å; F288-Y310 WeakPolarHBondContact CB-OH 3.04Å; F288-Y310 HydrophobicContact CD2-CD2 4.06Å; F288-Y310 HydrophobicContact CD2-CE1 4.48Å; F288-Y310 AromaticContact CD2-CE2 3.47Å; F288-Y310 HydrophobicContact CD2-CE2 3.47Å; F288-Y310 VanDerWaalsContact CD2-CE2 3.47Å; F288-Y310 AromaticContact CD2-CZ 3.75Å; F288-Y310 HydrophobicContact CE2-CD2 4.5Å; F288-Y310 HydrophobicContact CE2-CE2 4.29Å; F288-Y310 HydrophobicContact CG-CE2 4.34Å; F288-Y310 PolarHBondContact N-OH 3.39Å |
| 311 | R | 57.1 | Low | 68.8 | Low | 174 Ų | 174 | 69.6 Ų | 69.6 | 66% | 0.657 | 38% | 0.375 | S | S | * | . | trans | -73 | 132.7 | 165.6 | -76.2 | 165.4 | -88.5 | -164.1 | -7.9 | 108.6 | L307 G309 | L307-R311 CarbonylContact C-O 3.53Å; L307-R311 WeakPolarHBondContact CA-O 3.42Å; L307-R311 HydrophobicContact CB-CB 3.85Å; L307-R311 WeakPolarHBondContact CB-O 3.43Å; L307-R311 HydrophobicContact CD1-CB 4.07Å; L307-R311 PolarHBondContact N-O 3.19Å; L307-R311 VanDerWaalsContact O-O 3.08Å; G309-R311 PolarHBondContact O-N 3.22Å | ||
| 312 | Y | 71.4 | Confident | 68.3 | Low | 79 Ų | 79 | 67.6 Ų | 67.6 | 31% | 0.31 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 146.3 | 154.8 | 58.2 | -73 | 0 | 0 | 0 | 105.4 | P291 G298 T305 K327 | P291-Y312 HydrophobicContact CB-CD1 3.57Å; P291-Y312 HydrophobicContact CB-CD2 4.31Å; P291-Y312 HydrophobicContact CB-CE1 4.03Å; P291-Y312 HydrophobicContact CB-CG 3.72Å; P291-Y312 HydrophobicContact CG-CD1 3.47Å; P291-Y312 VanDerWaalsContact CG-CD1 3.47Å; P291-Y312 HydrophobicContact CG-CE1 4.14Å; P291-Y312 HydrophobicContact CG-CG 3.93Å; G298-Y312 WeakPolarHBondContact O-CE2 3Å; G298-Y312 PolarHBondContact O-OH 3.39Å; T305-Y312 CarbonylContact O-C 3.56Å; T305-Y312 WeakPolarHBondContact O-CA 3.46Å; Y312-K327 WeakPolarHBondContact OH-CE 3.17Å |
| 313 | M | 75.9 | Confident | 67.7 | Low | 90 Ų | 90 | 66.2 Ų | 66.2 | 44% | 0.443 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 124.7 | 164.4 | 105.2 | -177.8 | 82.6 | 0 | 0 | 107.3 | T305 L307 | T305-M313 HydrophobicContact CG2-CE 4.38Å; T305-M313 PolarHBondContact N-O 2.82Å; T305-M313 PolarHBondContact O-N 2.7Å; L307-M313 HydrophobicContact CD1-CB 4.21Å; L307-M313 HydrophobicContact CD1-CE 4.21Å; L307-M313 HydrophobicContact CD2-CE 3.96Å; L307-M313 HydrophobicContact CG-CE 4.29Å |
| 314 | C | 82.9 | Confident | 67 | Low | 7 Ų | 7 | 72.5 Ų | 72.5 | 5% | 0.047 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 141.8 | 159.8 | -56.8 | 0 | 0 | 0 | 0 | 108.2 | C300 I303 L322 K326 | C300-C314 VanDerWaalsContact CA-SG 3.5Å; C300-C314 HydrophobicContact CB-CB 3.55Å; C300-C314 WeakPolarHBondContact CB-SG 3.46Å; C300-C314 WeakPolarHBondContact SG-CA 3.49Å; C300-C314 WeakPolarHBondContact SG-CB 3.42Å; C300-C314 CovalentContact SG-SG 2.02Å; C300-C314 PolarHBondContact SG-SG 2.89Å; I303-C314 CarbonylContact O-C 3.6Å; I303-C314 VanDerWaalsContact O-CA 3.27Å; I303-C314 WeakPolarHBondContact O-CA 3.45Å; C314-L322 HydrophobicContact CB-CD1 3.45Å; C314-L322 VanDerWaalsContact CB-CD1 3.45Å; C314-L322 HydrophobicContact CB-CD2 4.2Å; C314-L322 HydrophobicContact CB-CG 4.46Å; C314-L322 VanDerWaalsContact O-CD2 3.3Å; C314-L322 WeakPolarHBondContact O-CD2 3.33Å; C314-K326 WeakPolarHBondContact CB-O 3.01Å; C314-K326 PolarHBondContact SG-O 3.14Å |
| 315 | S | 78.7 | Confident | 66.5 | Low | 36 Ų | 36 | 75.7 Ų | 75.7 | 25% | 0.252 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 166.6 | 173.1 | 58.6 | 0 | 0 | 0 | 0 | 109.7 | I303 C329 | I303-S315 WeakPolarHBondContact CB-O 3.33Å; I303-S315 WeakPolarHBondContact CB-OG 3.22Å; I303-S315 WeakPolarHBondContact CG2-OG 3.22Å; I303-S315 PolarHBondContact N-O 3.03Å; I303-S315 PolarHBondContact O-N 3.19Å; S315-C329 PolarHBondContact O-SG 2.92Å |
| 316 | C | 79.2 | Confident | 66.2 | Low | 27 Ų | 27 | 80.5 Ų | 80.5 | 18% | 0.182 | 42% | 0.424 | C | S | . | . | trans | -122.1 | 145.3 | -167.5 | -58 | 0 | 0 | 0 | 0 | 111.7 | Y320 H321 L322 C329 | C316-Y320 WeakPolarHBondContact CB-O 3.29Å; C316-H321 PolarHBondContact SG-O 2.83Å; C316-H321 VanDerWaalsContact SG-O 3.39Å; C316-L322 VanDerWaalsContact SG-CA 3.55Å; C316-L322 PolarHBondContact SG-N 2.89Å; C316-L322 VanDerWaalsContact SG-N 3.37Å; C316-C329 WeakPolarHBondContact CA-SG 3.25Å; C316-C329 HydrophobicContact CB-CB 3.84Å; C316-C329 WeakPolarHBondContact CB-SG 3.38Å; C316-C329 VanDerWaalsContact SG-CA 3.57Å; C316-C329 WeakPolarHBondContact SG-CB 3.01Å; C316-C329 CovalentContact SG-SG 2.04Å; C316-C329 PolarHBondContact SG-SG 3.41Å | ||
| 317 | K | 72.4 | Confident | 66.7 | Low | 113 Ų | 113 | 80 Ų | 80 | 49% | 0.491 | 41% | 0.413 | S | S | . | . | trans | -62.5 | 147.8 | 171.7 | -65.4 | 168.6 | -175.2 | 171.1 | 0 | 109.5 | H302 I303 G319 Y320 | H302-K317 HydrophobicContact CB-CG 4.27Å; I303-K317 HydrophobicContact CD1-CG 4.24Å; I303-K317 HydrophobicContact CG1-CG 4.41Å; K317-G319 PolarHBondContact O-N 2.83Å; K317-Y320 WeakPolarHBondContact O-CB 3.5Å; K317-Y320 PolarHBondContact O-N 3.37Å; K317-Y320 VanDerWaalsContact O-N 3.12Å | ||
| 318 | P | 62.1 | Low | 67.8 | Low | 133 Ų | 133 | 84.1 Ų | 84.1 | 86% | 0.864 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 137 | -179.2 | -27.8 | 35.1 | 0 | 0 | 0 | 113 | ||
| 319 | G | 51.8 | Low | 68.9 | Low | 38 Ų | 38 | 78.7 Ų | 78.7 | 39% | 0.392 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.8 | 14.7 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114 | K317 D332 | K317-G319 PolarHBondContact O-N 2.83Å; G319-D332 VanDerWaalsContact C-CB 3.46Å; G319-D332 WeakPolarHBondContact CA-OD2 3.01Å; G319-D332 PolarHBondContact N-OD2 3.28Å; G319-D332 VanDerWaalsContact O-CB 3.3Å; G319-D332 WeakPolarHBondContact O-CB 3.01Å; G319-D332 PolarHBondContact O-N 3.19Å |
| 320 | Y | 72.8 | Confident | 69.6 | Low | 101 Ų | 101 | 80.6 Ų | 80.6 | 40% | 0.396 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 146.6 | 173.3 | -63 | -109.1 | 0 | 0 | 0 | 109.6 | H302 C316 K317 C329 L330 P331 D332 | H302-Y320 AromaticContact CE1-CD1 3.34Å; H302-Y320 WeakPolarHBondContact CE1-CD1 2.91Å; H302-Y320 AromaticContact CE1-CD2 3.64Å; H302-Y320 AromaticContact CE1-CE1 3.71Å; H302-Y320 AromaticContact CE1-CE2 4Å; H302-Y320 AromaticContact CE1-CG 3.36Å; H302-Y320 AromaticContact ND1-CG 3.83Å; C316-Y320 WeakPolarHBondContact CB-O 3.29Å; K317-Y320 WeakPolarHBondContact O-CB 3.5Å; K317-Y320 PolarHBondContact O-N 3.37Å; K317-Y320 VanDerWaalsContact O-N 3.12Å; Y320-C329 WeakPolarHBondContact CD1-O 2.96Å; Y320-L330 VanDerWaalsContact CA-O 3.32Å; Y320-L330 WeakPolarHBondContact CA-O 3.48Å; Y320-L330 WeakPolarHBondContact CB-O 3.05Å; Y320-L330 WeakPolarHBondContact CD1-O 3Å; Y320-P331 HydrophobicContact CD1-CB 4.07Å; Y320-P331 HydrophobicContact CE1-CB 3.81Å; Y320-D332 VanDerWaalsContact C-OD1 3.23Å; Y320-D332 WeakPolarHBondContact CA-OD1 3.42Å; Y320-D332 VanDerWaalsContact N-CG 3.27Å; Y320-D332 PolarHBondContact N-OD2 3.19Å |
| 321 | H | 65.4 | Low | 69.8 | Low | 35 Ų | 35 | 81.6 Ų | 81.6 | 16% | 0.162 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 161.6 | 176 | 61.7 | -80.2 | 0 | 0 | 0 | 110.4 | C316 A323 C329 L330 P331 D332 Q336 | C316-H321 PolarHBondContact SG-O 2.83Å; C316-H321 VanDerWaalsContact SG-O 3.39Å; H321-A323 PolarHBondContact O-N 3.15Å; H321-C329 CarbonylContact O-C 3.54Å; H321-C329 VanDerWaalsContact O-CA 3.31Å; H321-C329 WeakPolarHBondContact O-CA 3.13Å; H321-L330 PolarHBondContact N-O 3.16Å; H321-L330 VanDerWaalsContact N-O 3.16Å; H321-L330 PolarHBondContact O-N 3.49Å; H321-L330 VanDerWaalsContact O-N 3.16Å; H321-P331 PolarHBondContact CE1-O 2.77Å; H321-P331 VanDerWaalsContact CE1-O 3.24Å; H321-D332 WeakPolarHBondContact CB-OD1 3.29Å; H321-D332 IonicContact CE1-OD1 3.75Å; H321-D332 IonicContact CG-OD1 3.54Å; H321-D332 PolarHBondContact N-OD1 2.93Å; H321-D332 VanDerWaalsContact N-OD1 3.14Å; H321-D332 IonicContact ND1-OD1 2.7Å; H321-D332 PolarHBondContact ND1-OD1 3.04Å; H321-Q336 PolarHBondContact CD2-OE1 3.3Å; H321-Q336 PolarHBondContact CE1-NE2 2.91Å; H321-Q336 VanDerWaalsContact NE2-CD 3.25Å; H321-Q336 PolarHBondContact NE2-NE2 3.38Å; H321-Q336 PolarHBondContact NE2-OE1 3.2Å; H321-Q336 VanDerWaalsContact NE2-OE1 3.17Å |
| 322 | L | 68.1 | Low | 69.5 | Low | 61 Ų | 61 | 75.2 Ų | 75.2 | 32% | 0.319 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 125.1 | -175.9 | -161.6 | 73.9 | 0 | 0 | 0 | 110.9 | C314 C316 K326 R328 | C314-L322 HydrophobicContact CB-CD1 3.45Å; C314-L322 VanDerWaalsContact CB-CD1 3.45Å; C314-L322 HydrophobicContact CB-CD2 4.2Å; C314-L322 HydrophobicContact CB-CG 4.46Å; C314-L322 VanDerWaalsContact O-CD2 3.3Å; C314-L322 WeakPolarHBondContact O-CD2 3.33Å; C316-L322 VanDerWaalsContact SG-CA 3.55Å; C316-L322 PolarHBondContact SG-N 2.89Å; C316-L322 VanDerWaalsContact SG-N 3.37Å; L322-K326 HydrophobicContact CD2-CB 4.04Å; L322-R328 WeakPolarHBondContact CD1-O 3.27Å |
| 323 | A | 69.8 | Low | 68.7 | Low | 13 Ų | 13 | 73.2 Ų | 73.2 | 11% | 0.107 | 38% | 0.375 | C | S | . | . | trans | -67.5 | 164.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | H321 N325 K326 R328 L330 | H321-A323 PolarHBondContact O-N 3.15Å; A323-N325 PolarHBondContact O-N 3.48Å; A323-N325 VanDerWaalsContact O-N 3.1Å; A323-K326 WeakPolarHBondContact O-CA 3.1Å; A323-K326 PolarHBondContact O-N 2.92Å; A323-R328 HydrophobicContact CB-CB 3.7Å; A323-R328 WeakPolarHBondContact CB-O 3.02Å; A323-R328 PolarHBondContact N-O 3.2Å; A323-L330 HydrophobicContact CB-CD1 3.93Å; A323-L330 HydrophobicContact CB-CG 4Å | ||
| 324 | E | 64.4 | Low | 67.9 | Low | 199 Ų | 199 | 70.6 Ų | 70.6 | 93% | 0.93 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -27.9 | -175.3 | -165.7 | 172.7 | -126.8 | 0 | 0 | 114.3 | K326 | E324-K326 PolarHBondContact O-N 3.24Å; E324-K326 VanDerWaalsContact O-N 3.09Å |
| 325 | N | 72.3 | Confident | 67.2 | Low | 86 Ų | 86 | 70.9 Ų | 70.9 | 46% | 0.46 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 3.6 | 171.8 | 74.5 | -13.4 | 0 | 0 | 0 | 114.2 | A323 K327 R328 | A323-N325 PolarHBondContact O-N 3.48Å; A323-N325 VanDerWaalsContact O-N 3.1Å; N325-K327 WeakPolarHBondContact O-CB 3.38Å; N325-K327 WeakPolarHBondContact O-CG 3.25Å; N325-K327 PolarHBondContact O-N 3.48Å; N325-K327 PolarHBondContact OD1-N 3.05Å; N325-K327 VanDerWaalsContact OD1-N 3.11Å; N325-R328 PolarHBondContact OD1-N 2.98Å |
| 326 | K | 68.5 | Low | 66.4 | Low | 157 Ų | 157 | 74.1 Ų | 74.1 | 68% | 0.683 | 38% | 0.377 | S | S | * | . | S | Bend | trans | 53 | 30.6 | -176.6 | -59.7 | -174.7 | -179.1 | 179.3 | 0 | 114 | C314 L322 A323 E324 | C314-K326 WeakPolarHBondContact CB-O 3.01Å; C314-K326 PolarHBondContact SG-O 3.14Å; L322-K326 HydrophobicContact CD2-CB 4.04Å; A323-K326 WeakPolarHBondContact O-CA 3.1Å; A323-K326 PolarHBondContact O-N 2.92Å; E324-K326 PolarHBondContact O-N 3.24Å; E324-K326 VanDerWaalsContact O-N 3.09Å |
| 327 | K | 78.9 | Confident | 65.3 | Low | 52 Ų | 52 | 77.8 Ų | 77.8 | 23% | 0.226 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -142.9 | -54.8 | -166.7 | -86.8 | 176 | 168.9 | -165.5 | 0 | 113.4 | D299 C300 E301 Y312 N325 | D299-K327 HydrophobicContact CB-CD 3.94Å; D299-K327 VanDerWaalsContact O-CB 3.23Å; D299-K327 WeakPolarHBondContact O-CB 3.37Å; D299-K327 WeakPolarHBondContact O-CG 3.48Å; D299-K327 VanDerWaalsContact OD2-CD 3.32Å; D299-K327 WeakPolarHBondContact OD2-CD 3Å; D299-K327 WeakPolarHBondContact OD2-CE 3.37Å; D299-K327 IonicContact OD2-NZ 3.1Å; D299-K327 PolarHBondContact OD2-NZ 3.49Å; C300-K327 CarbonylContact C-O 3.49Å; C300-K327 WeakPolarHBondContact CA-O 3.43Å; E301-K327 PolarHBondContact N-O 2.97Å; Y312-K327 WeakPolarHBondContact OH-CE 3.17Å; N325-K327 WeakPolarHBondContact O-CB 3.38Å; N325-K327 WeakPolarHBondContact O-CG 3.25Å; N325-K327 PolarHBondContact O-N 3.48Å; N325-K327 PolarHBondContact OD1-N 3.05Å; N325-K327 VanDerWaalsContact OD1-N 3.11Å |
| 328 | R | 78 | Confident | 64.7 | Low | 157 Ų | 157 | 79.1 Ų | 79.1 | 59% | 0.592 | 41% | 0.407 | S | S | * | . | trans | -68.2 | 151.6 | 172.8 | -82.4 | -169.8 | 166.3 | 162.9 | -3.3 | 111 | E301 L322 A323 N325 | E301-R328 WeakPolarHBondContact OE2-CA 3.39Å; E301-R328 WeakPolarHBondContact OE2-CB 3.5Å; E301-R328 VanDerWaalsContact OE2-CG 3.23Å; E301-R328 WeakPolarHBondContact OE2-CG 3.29Å; L322-R328 WeakPolarHBondContact CD1-O 3.27Å; A323-R328 HydrophobicContact CB-CB 3.7Å; A323-R328 WeakPolarHBondContact CB-O 3.02Å; A323-R328 PolarHBondContact N-O 3.2Å; N325-R328 PolarHBondContact OD1-N 2.98Å | ||
| 329 | C | 76.5 | Confident | 65.1 | Low | 1 Ų | 1 | 74.8 Ų | 74.8 | 1% | 0.007 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 91.4 | 173.1 | -75.5 | 0 | 0 | 0 | 0 | 107 | E301 H302 S315 C316 Y320 H321 | E301-C329 HydrophobicContact CB-CB 4.2Å; E301-C329 HydrophobicContact CG-CB 4.34Å; E301-C329 PolarHBondContact OE2-N 3.31Å; H302-C329 HydrophobicContact CB-CB 4.13Å; H302-C329 VanDerWaalsContact CB-SG 3.59Å; H302-C329 WeakPolarHBondContact ND1-CB 3.21Å; S315-C329 PolarHBondContact O-SG 2.92Å; C316-C329 WeakPolarHBondContact CA-SG 3.25Å; C316-C329 HydrophobicContact CB-CB 3.84Å; C316-C329 WeakPolarHBondContact CB-SG 3.38Å; C316-C329 VanDerWaalsContact SG-CA 3.57Å; C316-C329 WeakPolarHBondContact SG-CB 3.01Å; C316-C329 CovalentContact SG-SG 2.04Å; C316-C329 PolarHBondContact SG-SG 3.41Å; Y320-C329 WeakPolarHBondContact CD1-O 2.96Å; H321-C329 CarbonylContact O-C 3.54Å; H321-C329 VanDerWaalsContact O-CA 3.31Å; H321-C329 WeakPolarHBondContact O-CA 3.13Å |
| 330 | L | 61.7 | Low | 66 | Low | 82 Ų | 82 | 73.5 Ų | 73.5 | 43% | 0.429 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 144.1 | 173.4 | -66.2 | 166.2 | 0 | 0 | 0 | 107.8 | Y320 H321 A323 | Y320-L330 VanDerWaalsContact CA-O 3.32Å; Y320-L330 WeakPolarHBondContact CA-O 3.48Å; Y320-L330 WeakPolarHBondContact CB-O 3.05Å; Y320-L330 WeakPolarHBondContact CD1-O 3Å; H321-L330 PolarHBondContact N-O 3.16Å; H321-L330 VanDerWaalsContact N-O 3.16Å; H321-L330 PolarHBondContact O-N 3.49Å; H321-L330 VanDerWaalsContact O-N 3.16Å; A323-L330 HydrophobicContact CB-CD1 3.93Å; A323-L330 HydrophobicContact CB-CG 4Å |
| 331 | P | 56.8 | Low | 66.2 | Low | 72 Ų | 72 | 70.4 Ų | 70.4 | 47% | 0.468 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.4 | 147.9 | 168.1 | 25 | -34 | 0 | 0 | 0 | 109 | Y320 H321 N333 | Y320-P331 HydrophobicContact CD1-CB 4.07Å; Y320-P331 HydrophobicContact CE1-CB 3.81Å; H321-P331 PolarHBondContact CE1-O 2.77Å; H321-P331 VanDerWaalsContact CE1-O 3.24Å; P331-N333 PolarHBondContact O-N 3.25Å |
| 332 | D | 52.9 | Low | 67.1 | Low | 40 Ų | 40 | 69.1 Ų | 69.1 | 21% | 0.214 | 36% | 0.356 | C | S | . | . | trans | -66.7 | 77.1 | 164.7 | -73.5 | -21.6 | 0 | 0 | 0 | 107.8 | G319 Y320 H321 P334 I337 | G319-D332 VanDerWaalsContact C-CB 3.46Å; G319-D332 WeakPolarHBondContact CA-OD2 3.01Å; G319-D332 PolarHBondContact N-OD2 3.28Å; G319-D332 VanDerWaalsContact O-CB 3.3Å; G319-D332 WeakPolarHBondContact O-CB 3.01Å; G319-D332 PolarHBondContact O-N 3.19Å; Y320-D332 VanDerWaalsContact C-OD1 3.23Å; Y320-D332 WeakPolarHBondContact CA-OD1 3.42Å; Y320-D332 VanDerWaalsContact N-CG 3.27Å; Y320-D332 PolarHBondContact N-OD2 3.19Å; H321-D332 WeakPolarHBondContact CB-OD1 3.29Å; H321-D332 IonicContact CE1-OD1 3.75Å; H321-D332 IonicContact CG-OD1 3.54Å; H321-D332 PolarHBondContact N-OD1 2.93Å; H321-D332 VanDerWaalsContact N-OD1 3.14Å; H321-D332 IonicContact ND1-OD1 2.7Å; H321-D332 PolarHBondContact ND1-OD1 3.04Å; D332-P334 VanDerWaalsContact O-N 3.08Å; D332-I337 HydrophobicContact CB-CD1 3.76Å; D332-I337 HydrophobicContact CB-CG1 4Å | ||
| 333 | N | 53.6 | Low | 67.7 | Low | 38 Ų | 38 | 69.9 Ų | 69.9 | 20% | 0.203 | 36% | 0.358 | C | S | . | . | trans | -31.7 | 115.3 | 139.9 | 176.1 | -0.3 | 0 | 0 | 0 | 106.3 | P331 C335 Q336 N348 | P331-N333 PolarHBondContact O-N 3.25Å; N333-C335 PolarHBondContact O-N 3.4Å; N333-C335 WeakPolarHBondContact OD1-CB 3.36Å; N333-C335 PolarHBondContact OD1-N 3.13Å; N333-C335 VanDerWaalsContact OD1-N 3.1Å; N333-C335 PolarHBondContact OD1-SG 2.8Å; N333-Q336 PolarHBondContact O-N 3.26Å; N333-N348 WeakPolarHBondContact OD1-CB 2.87Å | ||
| 334 | P | 58.2 | Low | 68.4 | Low | 35 Ų | 35 | 70.9 Ų | 70.9 | 23% | 0.227 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -56.8 | -25.6 | -174.8 | 21 | -32.3 | 0 | 0 | 0 | 110.9 | D332 Q336 I337 G340 V353 | D332-P334 VanDerWaalsContact O-N 3.08Å; P334-Q336 PolarHBondContact O-N 2.03Å; P334-I337 CarbonylContact O-C 3.5Å; P334-I337 PolarHBondContact O-N 2.83Å; P334-I337 VanDerWaalsContact O-N 3.09Å; P334-G340 WeakPolarHBondContact O-CA 3.09Å; P334-G340 PolarHBondContact O-N 2.85Å; P334-V353 HydrophobicContact CB-CG2 3.53Å; P334-V353 HydrophobicContact CG-CG2 3.48Å; P334-V353 VanDerWaalsContact CG-CG2 3.48Å |
| 335 | C | 68.6 | Low | 69.2 | Low | 12 Ų | 12 | 65.1 Ų | 65.1 | 8% | 0.081 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -58.8 | -0.6 | 168.3 | -50.2 | 0 | 0 | 0 | 0 | 116.8 | N333 N339 C346 | N333-C335 PolarHBondContact O-N 3.4Å; N333-C335 WeakPolarHBondContact OD1-CB 3.36Å; N333-C335 PolarHBondContact OD1-N 3.13Å; N333-C335 VanDerWaalsContact OD1-N 3.1Å; N333-C335 PolarHBondContact OD1-SG 2.8Å; C335-N339 WeakPolarHBondContact O-CA 3.23Å; C335-C346 WeakPolarHBondContact CA-SG 3.09Å; C335-C346 HydrophobicContact CB-CB 3.33Å; C335-C346 WeakPolarHBondContact CB-SG 3.35Å; C335-C346 VanDerWaalsContact SG-CA 3.6Å; C335-C346 WeakPolarHBondContact SG-CB 3.46Å; C335-C346 PolarHBondContact SG-O 3.1Å; C335-C346 CovalentContact SG-SG 2.02Å; C335-C346 PolarHBondContact SG-SG 2.77Å |
| 336 | Q | 62.3 | Low | 69.7 | Low | 105 Ų | 105 | 61.8 Ų | 61.8 | 49% | 0.491 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -115.4 | -19.2 | 171.5 | -63.5 | -156.5 | 48.1 | 0 | 0 | 112.8 | H321 N333 P334 N338 | H321-Q336 PolarHBondContact CD2-OE1 3.3Å; H321-Q336 PolarHBondContact CE1-NE2 2.91Å; H321-Q336 VanDerWaalsContact NE2-CD 3.25Å; H321-Q336 PolarHBondContact NE2-NE2 3.38Å; H321-Q336 PolarHBondContact NE2-OE1 3.2Å; H321-Q336 VanDerWaalsContact NE2-OE1 3.17Å; N333-Q336 PolarHBondContact O-N 3.26Å; P334-Q336 PolarHBondContact O-N 2.03Å; Q336-N338 PolarHBondContact O-N 3.29Å |
| 337 | I | 55.6 | Low | 70.1 | Confident | 103 Ų | 103 | 58.1 Ų | 58.1 | 53% | 0.528 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -85.9 | 100.1 | 164.3 | -57.4 | 177.8 | 0 | 0 | 0 | 107.9 | D332 P334 N339 G340 | D332-I337 HydrophobicContact CB-CD1 3.76Å; D332-I337 HydrophobicContact CB-CG1 4Å; P334-I337 CarbonylContact O-C 3.5Å; P334-I337 PolarHBondContact O-N 2.83Å; P334-I337 VanDerWaalsContact O-N 3.09Å; I337-N339 PolarHBondContact O-N 2.03Å; I337-G340 PolarHBondContact O-N 2.89Å; I337-G340 VanDerWaalsContact O-N 3.1Å |
| 338 | N | 59.7 | Low | 69.5 | Low | 142 Ų | 142 | 59 Ų | 59 | 76% | 0.759 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | 53.8 | 39.2 | 180 | -168.3 | 36.2 | 0 | 0 | 0 | 112.8 | Q336 G340 G341 | Q336-N338 PolarHBondContact O-N 3.29Å; N338-G340 PolarHBondContact O-N 2.7Å; N338-G340 VanDerWaalsContact O-N 3.1Å; N338-G341 WeakPolarHBondContact O-CA 3.26Å; N338-G341 PolarHBondContact O-N 2.03Å |
| 339 | N | 70.3 | Confident | 68.8 | Low | 42 Ų | 42 | 55 Ų | 55 | 23% | 0.225 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | 52.6 | 28.7 | -176.6 | -161.9 | 13.5 | 0 | 0 | 0 | 114.8 | C335 I337 G341 C342 Q343 H344 C346 | C335-N339 WeakPolarHBondContact O-CA 3.23Å; I337-N339 PolarHBondContact O-N 2.03Å; N339-G341 PolarHBondContact O-N 3.22Å; N339-G341 VanDerWaalsContact O-N 3.13Å; N339-C342 WeakPolarHBondContact CB-O 3.49Å; N339-C342 PolarHBondContact ND2-O 2.82Å; N339-C342 VanDerWaalsContact ND2-O 3.09Å; N339-C342 WeakPolarHBondContact O-CA 3.33Å; N339-C342 WeakPolarHBondContact O-CB 3.44Å; N339-C342 PolarHBondContact O-N 3.32Å; N339-C342 PolarHBondContact O-SG 3.07Å; N339-C342 VanDerWaalsContact O-SG 3.38Å; N339-Q343 PolarHBondContact ND2-O 3.3Å; N339-H344 PolarHBondContact ND2-O 3.17Å; N339-C346 WeakPolarHBondContact OD1-CB 3.24Å |
| 340 | G | 71.2 | Confident | 67.6 | Low | 11 Ų | 11 | 62.8 Ų | 62.8 | 11% | 0.113 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | 68.8 | 8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | P334 I337 N338 C342 K369 | P334-G340 WeakPolarHBondContact O-CA 3.09Å; P334-G340 PolarHBondContact O-N 2.85Å; I337-G340 PolarHBondContact O-N 2.89Å; I337-G340 VanDerWaalsContact O-N 3.1Å; N338-G340 PolarHBondContact O-N 2.7Å; N338-G340 VanDerWaalsContact O-N 3.1Å; G340-C342 VanDerWaalsContact C-N 3.31Å; G340-K369 PolarHBondContact O-NZ 2.85Å |
| 341 | G | 78.1 | Confident | 67.2 | Low | 35 Ų | 35 | 61.5 Ų | 61.5 | 36% | 0.361 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | 82 | -2.4 | -163.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | N338 N339 K369 | N338-G341 WeakPolarHBondContact O-CA 3.26Å; N338-G341 PolarHBondContact O-N 2.03Å; N339-G341 PolarHBondContact O-N 3.22Å; N339-G341 VanDerWaalsContact O-N 3.13Å; G341-K369 WeakPolarHBondContact O-CB 3.27Å |
| 342 | C | 83.7 | Confident | 67.6 | Low | 9 Ų | 9 | 62.7 Ų | 62.7 | 6% | 0.061 | 36% | 0.356 | C | S | . | . | trans | -68.8 | 156.7 | 174.4 | -52.2 | 0 | 0 | 0 | 0 | 111.2 | N339 G340 C346 V353 C355 K369 | N339-C342 WeakPolarHBondContact CB-O 3.49Å; N339-C342 PolarHBondContact ND2-O 2.82Å; N339-C342 VanDerWaalsContact ND2-O 3.09Å; N339-C342 WeakPolarHBondContact O-CA 3.33Å; N339-C342 WeakPolarHBondContact O-CB 3.44Å; N339-C342 PolarHBondContact O-N 3.32Å; N339-C342 PolarHBondContact O-SG 3.07Å; N339-C342 VanDerWaalsContact O-SG 3.38Å; G340-C342 VanDerWaalsContact C-N 3.31Å; C342-C346 HydrophobicContact CB-CB 3.92Å; C342-C346 WeakPolarHBondContact SG-CB 3.21Å; C342-C346 PolarHBondContact SG-SG 3.22Å; C342-V353 WeakPolarHBondContact SG-CG1 3.47Å; C342-C355 VanDerWaalsContact CA-SG 3.6Å; C342-C355 HydrophobicContact CB-CB 3.67Å; C342-C355 WeakPolarHBondContact CB-SG 3.34Å; C342-C355 WeakPolarHBondContact SG-CA 3.5Å; C342-C355 WeakPolarHBondContact SG-CB 3.43Å; C342-C355 CovalentContact SG-SG 2.02Å; C342-C355 PolarHBondContact SG-SG 3.13Å; C342-K369 CarbonylContact C-O 3.51Å; C342-K369 VanDerWaalsContact CA-O 3.31Å; C342-K369 WeakPolarHBondContact CA-O 3.06Å | ||
| 343 | Q | 81.3 | Confident | 68.1 | Low | 77 Ų | 77 | 62.7 Ų | 62.7 | 36% | 0.36 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -85.1 | -47.7 | 178.7 | -165.8 | -180 | -49.7 | 0 | 0 | 112.9 | N339 K369 C371 | N339-Q343 PolarHBondContact ND2-O 3.3Å; Q343-K369 PolarHBondContact N-O 2.87Å; Q343-C371 HydrophobicContact CB-CB 4.13Å; Q343-C371 VanDerWaalsContact CD-O 3.24Å; Q343-C371 PolarHBondContact NE2-O 3.42Å; Q343-C371 PolarHBondContact OE1-O 2.64Å |
| 344 | H | 84.6 | Confident | 69.4 | Low | 33 Ų | 33 | 66 Ų | 66 | 15% | 0.153 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -111.5 | -81.8 | -176 | -61.8 | 152 | 0 | 0 | 0 | 111.8 | N339 Y361 C371 | N339-H344 PolarHBondContact ND2-O 3.17Å; H344-Y361 AromaticContact CE1-CD1 3.21Å; H344-Y361 WeakPolarHBondContact CE1-CD1 3.08Å; H344-Y361 AromaticContact CE1-CD2 3.63Å; H344-Y361 AromaticContact CE1-CE1 3.22Å; H344-Y361 WeakPolarHBondContact CE1-CE1 3.37Å; H344-Y361 AromaticContact CE1-CE2 3.63Å; H344-Y361 AromaticContact CE1-CG 3.39Å; H344-Y361 AromaticContact CE1-CZ 3.42Å; H344-Y361 VanDerWaalsContact CE1-CZ 3.42Å; H344-Y361 AromaticContact ND1-CD1 3.79Å; H344-Y361 AromaticContact ND1-CD2 3.51Å; H344-Y361 AromaticContact ND1-CE2 3.82Å; H344-Y361 AromaticContact ND1-CG 3.45Å; H344-Y361 AromaticContact NE2-CE1 3.91Å; H344-Y361 AromaticContact NE2-CZ 3.88Å; H344-C371 WeakPolarHBondContact CE1-CB 3.21Å; H344-C371 WeakPolarHBondContact ND1-CB 3.15Å |
| 345 | E | 80.4 | Confident | 70.6 | Confident | 79 Ų | 79 | 64.8 Ų | 64.8 | 37% | 0.369 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 146.7 | -174.1 | -159.9 | 163.5 | 172.8 | 0 | 0 | 110.8 | H347 C355 S356 H358 | E345-H347 IonicContact OE1-CE1 2.99Å; E345-H347 PolarHBondContact OE1-CE1 3.01Å; E345-C355 WeakPolarHBondContact O-CA 3.44Å; E345-S356 CarbonylContact C-O 3.58Å; E345-S356 WeakPolarHBondContact CB-OG 3.45Å; E345-S356 PolarHBondContact N-O 3.28Å; E345-S356 PolarHBondContact O-N 3.1Å; E345-H358 IonicContact OE2-CE1 3.15Å; E345-H358 PolarHBondContact OE2-CE1 3.5Å; E345-H358 IonicContact OE2-ND1 2.75Å; E345-H358 PolarHBondContact OE2-ND1 3.4Å |
| 346 | C | 82.2 | Confident | 71.3 | Confident | 15 Ų | 15 | 65.2 Ų | 65.2 | 10% | 0.101 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 123.7 | -176.2 | 176.8 | 0 | 0 | 0 | 0 | 108.9 | C335 N339 C342 | C335-C346 WeakPolarHBondContact CA-SG 3.09Å; C335-C346 HydrophobicContact CB-CB 3.33Å; C335-C346 WeakPolarHBondContact CB-SG 3.35Å; C335-C346 VanDerWaalsContact SG-CA 3.6Å; C335-C346 WeakPolarHBondContact SG-CB 3.46Å; C335-C346 PolarHBondContact SG-O 3.1Å; C335-C346 CovalentContact SG-SG 2.02Å; C335-C346 PolarHBondContact SG-SG 2.77Å; N339-C346 WeakPolarHBondContact OD1-CB 3.24Å; C342-C346 HydrophobicContact CB-CB 3.92Å; C342-C346 WeakPolarHBondContact SG-CB 3.21Å; C342-C346 PolarHBondContact SG-SG 3.22Å |
| 347 | H | 78.3 | Confident | 72.3 | Confident | 81 Ų | 81 | 61.5 Ų | 61.5 | 38% | 0.375 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 130.5 | 177.7 | -53.8 | -46.7 | 0 | 0 | 0 | 109.6 | E345 V349 H354 S356 | E345-H347 IonicContact OE1-CE1 2.99Å; E345-H347 PolarHBondContact OE1-CE1 3.01Å; H347-V349 HydrophobicContact CB-CG2 4.36Å; H347-V349 PolarHBondContact O-N 3.16Å; H347-H354 PolarHBondContact N-O 3.26Å; H347-H354 PolarHBondContact O-N 3.23Å; H347-S356 PolarHBondContact CD2-OG 2.92Å; H347-S356 VanDerWaalsContact CD2-OG 3.22Å; H347-S356 PolarHBondContact CE1-OG 3.18Å; H347-S356 PolarHBondContact NE2-OG 3.31Å |
| 348 | N | 65.9 | Low | 73.5 | Confident | 71 Ų | 71 | 60.9 Ų | 60.9 | 38% | 0.38 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 99.9 | 172.8 | -170.6 | -10 | 0 | 0 | 0 | 109.7 | N333 G351 | N333-N348 WeakPolarHBondContact OD1-CB 2.87Å; N348-G351 WeakPolarHBondContact OD1-CA 3.4Å; N348-G351 PolarHBondContact OD1-N 3.37Å |
| 349 | V | 63.7 | Low | 74.3 | Confident | 73 Ų | 73 | 63.3 Ų | 63.3 | 44% | 0.442 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 97.6 | 177.1 | -174.3 | 0 | 0 | 0 | 0 | 108.1 | H347 G351 V352 H354 | H347-V349 HydrophobicContact CB-CG2 4.36Å; H347-V349 PolarHBondContact O-N 3.16Å; V349-G351 VanDerWaalsContact C-N 3.32Å; V349-G351 PolarHBondContact O-N 2.91Å; V349-V352 PolarHBondContact N-O 3.19Å; V349-V352 WeakPolarHBondContact O-CB 3.37Å; V349-V352 PolarHBondContact O-N 2.03Å; V349-H354 HydrophobicContact CG2-CB 3.91Å |
| 350 | N | 50.4 | Low | 74.7 | Confident | 163 Ų | 163 | 61.7 Ų | 61.7 | 87% | 0.872 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 38.9 | 179.6 | -57.5 | -26.5 | 0 | 0 | 0 | 114.4 | V352 | N350-V352 VanDerWaalsContact C-N 3.29Š|
| 351 | G | 53.6 | Low | 75.4 | Confident | 55 Ų | 55 | 63 Ų | 63 | 57% | 0.567 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.5 | -2.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | N348 V349 | N348-G351 WeakPolarHBondContact OD1-CA 3.4Å; N348-G351 PolarHBondContact OD1-N 3.37Å; V349-G351 VanDerWaalsContact C-N 3.32Å; V349-G351 PolarHBondContact O-N 2.91Å |
| 352 | V | 64.9 | Low | 75.7 | Confident | 97 Ų | 97 | 66.4 Ų | 66.4 | 59% | 0.588 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 133.9 | 175.4 | -175.5 | 0 | 0 | 0 | 0 | 109.9 | V349 N350 H354 | V349-V352 PolarHBondContact N-O 3.19Å; V349-V352 WeakPolarHBondContact O-CB 3.37Å; V349-V352 PolarHBondContact O-N 2.03Å; N350-V352 VanDerWaalsContact C-N 3.29Å; V352-H354 PolarHBondContact O-N 2.81Å |
| 353 | V | 62.9 | Low | 75.5 | Confident | 40 Ų | 40 | 69.4 Ų | 69.4 | 24% | 0.242 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 116.3 | 169.6 | 167.8 | 0 | 0 | 0 | 0 | 109.6 | P334 C342 | P334-V353 HydrophobicContact CB-CG2 3.53Å; P334-V353 HydrophobicContact CG-CG2 3.48Å; P334-V353 VanDerWaalsContact CG-CG2 3.48Å; C342-V353 WeakPolarHBondContact SG-CG1 3.47Å |
| 354 | H | 81 | Confident | 75.3 | Confident | 108 Ų | 108 | 67.4 Ų | 67.4 | 50% | 0.5 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 105.6 | 166.7 | -175.9 | -64.6 | 0 | 0 | 0 | 109.5 | H347 V349 V352 | H347-H354 PolarHBondContact N-O 3.26Å; H347-H354 PolarHBondContact O-N 3.23Å; V349-H354 HydrophobicContact CG2-CB 3.91Å; V352-H354 PolarHBondContact O-N 2.81Å |
| 355 | C | 83.3 | Confident | 74.9 | Confident | 9 Ų | 9 | 71.4 Ų | 71.4 | 6% | 0.061 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 146.7 | 178.9 | -49.4 | 0 | 0 | 0 | 0 | 111.9 | C342 E345 L363 S368 K369 | C342-C355 VanDerWaalsContact CA-SG 3.6Å; C342-C355 HydrophobicContact CB-CB 3.67Å; C342-C355 WeakPolarHBondContact CB-SG 3.34Å; C342-C355 WeakPolarHBondContact SG-CA 3.5Å; C342-C355 WeakPolarHBondContact SG-CB 3.43Å; C342-C355 CovalentContact SG-SG 2.02Å; C342-C355 PolarHBondContact SG-SG 3.13Å; E345-C355 WeakPolarHBondContact O-CA 3.44Å; C355-L363 HydrophobicContact CB-CD2 4.33Å; C355-S368 VanDerWaalsContact CB-O 3.3Å; C355-S368 WeakPolarHBondContact CB-O 3.04Å; C355-S368 PolarHBondContact SG-O 2.8Å; C355-K369 VanDerWaalsContact SG-CA 3.57Å |
| 356 | S | 83.6 | Confident | 74.8 | Confident | 22 Ų | 22 | 76.7 Ų | 76.7 | 15% | 0.154 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 160.5 | 171 | 34 | 0 | 0 | 0 | 0 | 107.9 | E345 H347 | E345-S356 CarbonylContact C-O 3.58Å; E345-S356 WeakPolarHBondContact CB-OG 3.45Å; E345-S356 PolarHBondContact N-O 3.28Å; E345-S356 PolarHBondContact O-N 3.1Å; H347-S356 PolarHBondContact CD2-OG 2.92Å; H347-S356 VanDerWaalsContact CD2-OG 3.22Å; H347-S356 PolarHBondContact CE1-OG 3.18Å; H347-S356 PolarHBondContact NE2-OG 3.31Å |
| 357 | C | 84.5 | Confident | 74.5 | Confident | 27 Ų | 27 | 79.4 Ų | 79.4 | 18% | 0.182 | 43% | 0.43 | C | S | . | . | trans | -111 | 139.8 | 173.6 | -56.9 | 0 | 0 | 0 | 0 | 108 | Y361 L363 C371 | C357-Y361 WeakPolarHBondContact CB-O 3.44Å; C357-L363 VanDerWaalsContact SG-CD2 3.56Å; C357-L363 PolarHBondContact SG-N 2.86Å; C357-L363 VanDerWaalsContact SG-N 3.41Å; C357-C371 VanDerWaalsContact CA-SG 3.54Å; C357-C371 HydrophobicContact CB-CB 3.95Å; C357-C371 WeakPolarHBondContact CB-SG 3.08Å; C357-C371 WeakPolarHBondContact SG-CB 3.49Å; C357-C371 CovalentContact SG-SG 2.04Å; C357-C371 PolarHBondContact SG-SG 2.02Å | ||
| 358 | H | 79.2 | Confident | 74.2 | Confident | 89 Ų | 89 | 79.9 Ų | 79.9 | 41% | 0.412 | 44% | 0.443 | S | S | . | . | trans | -59.4 | 162.9 | 172.7 | -57.2 | -41.9 | 0 | 0 | 0 | 110.8 | E345 Y361 | E345-H358 IonicContact OE2-CE1 3.15Å; E345-H358 PolarHBondContact OE2-CE1 3.5Å; E345-H358 IonicContact OE2-ND1 2.75Å; E345-H358 PolarHBondContact OE2-ND1 3.4Å; H358-Y361 HydrophobicContact CB-CD2 4.25Å; H358-Y361 WeakPolarHBondContact O-CB 3.4Å; H358-Y361 PolarHBondContact O-N 2.96Å | ||
| 359 | E | 76.3 | Confident | 75 | Confident | 193 Ų | 193 | 80.5 Ų | 80.5 | 90% | 0.902 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 140.5 | 173.8 | -160.3 | 164.5 | -154.2 | 0 | 0 | 110.4 | ||
| 360 | G | 80 | Confident | 75.8 | Confident | 9 Ų | 9 | 82.4 Ų | 82.4 | 9% | 0.093 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | -1.9 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | I374 | G360-I374 WeakPolarHBondContact O-CB 3.45Å; G360-I374 PolarHBondContact O-N 3.38Å |
| 361 | Y | 86 | Confident | 77.5 | Confident | 39 Ų | 39 | 74.8 Ų | 74.8 | 15% | 0.153 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 151.7 | 178.9 | -64.7 | -83.3 | 0 | 0 | 0 | 113.8 | H344 C357 H358 D373 D392 G393 | H344-Y361 AromaticContact CE1-CD1 3.21Å; H344-Y361 WeakPolarHBondContact CE1-CD1 3.08Å; H344-Y361 AromaticContact CE1-CD2 3.63Å; H344-Y361 AromaticContact CE1-CE1 3.22Å; H344-Y361 WeakPolarHBondContact CE1-CE1 3.37Å; H344-Y361 AromaticContact CE1-CE2 3.63Å; H344-Y361 AromaticContact CE1-CG 3.39Å; H344-Y361 AromaticContact CE1-CZ 3.42Å; H344-Y361 VanDerWaalsContact CE1-CZ 3.42Å; H344-Y361 AromaticContact ND1-CD1 3.79Å; H344-Y361 AromaticContact ND1-CD2 3.51Å; H344-Y361 AromaticContact ND1-CE2 3.82Å; H344-Y361 AromaticContact ND1-CG 3.45Å; H344-Y361 AromaticContact NE2-CE1 3.91Å; H344-Y361 AromaticContact NE2-CZ 3.88Å; C357-Y361 WeakPolarHBondContact CB-O 3.44Å; H358-Y361 HydrophobicContact CB-CD2 4.25Å; H358-Y361 WeakPolarHBondContact O-CB 3.4Å; H358-Y361 PolarHBondContact O-N 2.96Å; Y361-D373 HydrophobicContact CD1-CB 4.14Å; Y361-D373 HydrophobicContact CE1-CB 4.19Å; Y361-D392 VanDerWaalsContact CZ-C 3.46Å; Y361-D392 PolarHBondContact OH-O 3.34Å; Y361-G393 VanDerWaalsContact CZ-N 3.3Å; Y361-G393 PolarHBondContact OH-N 3.14Å |
| 362 | Q | 83.4 | Confident | 78.9 | Confident | 105 Ų | 105 | 75.1 Ų | 75.1 | 49% | 0.491 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 145.8 | 177.9 | 58 | -179.2 | -22 | 0 | 0 | 112 | C371 T372 I374 | Q362-C371 WeakPolarHBondContact O-CA 3.16Å; Q362-T372 WeakPolarHBondContact CG-O 3.27Å; Q362-T372 PolarHBondContact N-O 3.08Å; Q362-T372 PolarHBondContact O-N 3.42Å; Q362-T372 PolarHBondContact O-OG1 3.03Å; Q362-I374 HydrophobicContact CB-CD1 4.1Å; Q362-I374 HydrophobicContact CB-CG1 3.76Å; Q362-I374 HydrophobicContact CG-CG1 3.74Å |
| 363 | L | 79.4 | Confident | 79.8 | Confident | 72 Ų | 72 | 72 Ų | 72 | 38% | 0.377 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 137.3 | 175.5 | -76.4 | 167.3 | 0 | 0 | 0 | 111.1 | C355 C357 | C355-L363 HydrophobicContact CB-CD2 4.33Å; C357-L363 VanDerWaalsContact SG-CD2 3.56Å; C357-L363 PolarHBondContact SG-N 2.86Å; C357-L363 VanDerWaalsContact SG-N 3.41Å |
| 364 | V | 78.4 | Confident | 80.7 | Confident | 35 Ų | 35 | 73.3 Ų | 73.3 | 21% | 0.212 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 126.4 | 177.2 | 174.6 | 0 | 0 | 0 | 0 | 109.5 | H366 D367 K370 T372 | V364-H366 PolarHBondContact O-N 3.48Å; V364-D367 HydrophobicContact CB-CB 4.3Å; V364-D367 HydrophobicContact CG1-CB 4.23Å; V364-D367 CarbonylContact O-C 3.58Å; V364-D367 PolarHBondContact O-N 2.92Å; V364-K370 HydrophobicContact CB-CB 4.16Å; V364-K370 HydrophobicContact CG2-CB 3.87Å; V364-K370 HydrophobicContact CG2-CG 4.07Å; V364-K370 PolarHBondContact N-O 3.36Å; V364-T372 HydrophobicContact CG2-CG2 3.65Å |
| 365 | P | 75.7 | Confident | 80.8 | Confident | 118 Ų | 118 | 71.4 Ų | 71.4 | 77% | 0.766 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -9.7 | -172.9 | -29.5 | 36.1 | 0 | 0 | 0 | 117.4 | ||
| 366 | H | 77.3 | Confident | 80.9 | Confident | 190 Ų | 190 | 72.9 Ų | 72.9 | 88% | 0.88 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.1 | 0 | -179.5 | -59.1 | -28.7 | 0 | 0 | 0 | 113.6 | V364 | V364-H366 PolarHBondContact O-N 3.48Š|
| 367 | D | 76.4 | Confident | 81 | Confident | 71 Ų | 71 | 73 Ų | 73 | 38% | 0.38 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 93.6 | 176.7 | -174.9 | -12.9 | 0 | 0 | 0 | 108.1 | V364 K369 K370 | V364-D367 HydrophobicContact CB-CB 4.3Å; V364-D367 HydrophobicContact CG1-CB 4.23Å; V364-D367 CarbonylContact O-C 3.58Å; V364-D367 PolarHBondContact O-N 2.92Å; D367-K369 PolarHBondContact O-N 3.2Å; D367-K369 WeakPolarHBondContact OD1-CB 3.23Å; D367-K369 PolarHBondContact OD1-N 2.98Å; D367-K370 HydrophobicContact CB-CB 3.89Å; D367-K370 PolarHBondContact O-N 2.7Å; D367-K370 PolarHBondContact OD1-N 3.33Å; D367-K370 WeakPolarHBondContact OD2-CB 3.38Å |
| 368 | S | 73.3 | Confident | 80.9 | Confident | 92 Ų | 92 | 76 Ų | 76 | 64% | 0.643 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 10 | -178.3 | 72.5 | 0 | 0 | 0 | 0 | 113.8 | C355 | C355-S368 VanDerWaalsContact CB-O 3.3Å; C355-S368 WeakPolarHBondContact CB-O 3.04Å; C355-S368 PolarHBondContact SG-O 2.8Å |
| 369 | K | 81.3 | Confident | 80.8 | Confident | 84 Ų | 84 | 78.9 Ų | 78.9 | 37% | 0.365 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | -18.8 | 169.2 | -57.5 | -159.3 | 174.5 | -166.1 | 0 | 113.4 | G340 G341 C342 Q343 C355 D367 | G340-K369 PolarHBondContact O-NZ 2.85Å; G341-K369 WeakPolarHBondContact O-CB 3.27Å; C342-K369 CarbonylContact C-O 3.51Å; C342-K369 VanDerWaalsContact CA-O 3.31Å; C342-K369 WeakPolarHBondContact CA-O 3.06Å; Q343-K369 PolarHBondContact N-O 2.87Å; C355-K369 VanDerWaalsContact SG-CA 3.57Å; D367-K369 PolarHBondContact O-N 3.2Å; D367-K369 WeakPolarHBondContact OD1-CB 3.23Å; D367-K369 PolarHBondContact OD1-N 2.98Å |
| 370 | K | 80.6 | Confident | 81 | Confident | 112 Ų | 112 | 76.9 Ų | 76.9 | 49% | 0.487 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 142.1 | -172.3 | -157.2 | 169.1 | -171.8 | 168 | 0 | 111.3 | V364 D367 | V364-K370 HydrophobicContact CB-CB 4.16Å; V364-K370 HydrophobicContact CG2-CB 3.87Å; V364-K370 HydrophobicContact CG2-CG 4.07Å; V364-K370 PolarHBondContact N-O 3.36Å; D367-K370 HydrophobicContact CB-CB 3.89Å; D367-K370 PolarHBondContact O-N 2.7Å; D367-K370 PolarHBondContact OD1-N 3.33Å; D367-K370 WeakPolarHBondContact OD2-CB 3.38Å |
| 371 | C | 85.4 | Confident | 81.1 | Confident | 4 Ų | 4 | 79.1 Ų | 79.1 | 3% | 0.027 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 134.3 | 179 | -67.8 | 0 | 0 | 0 | 0 | 109.4 | Q343 H344 C357 Q362 | Q343-C371 HydrophobicContact CB-CB 4.13Å; Q343-C371 VanDerWaalsContact CD-O 3.24Å; Q343-C371 PolarHBondContact NE2-O 3.42Å; Q343-C371 PolarHBondContact OE1-O 2.64Å; H344-C371 WeakPolarHBondContact CE1-CB 3.21Å; H344-C371 WeakPolarHBondContact ND1-CB 3.15Å; C357-C371 VanDerWaalsContact CA-SG 3.54Å; C357-C371 HydrophobicContact CB-CB 3.95Å; C357-C371 WeakPolarHBondContact CB-SG 3.08Å; C357-C371 WeakPolarHBondContact SG-CB 3.49Å; C357-C371 CovalentContact SG-SG 2.04Å; C357-C371 PolarHBondContact SG-SG 2.02Å; Q362-C371 WeakPolarHBondContact O-CA 3.16Å |
| 372 | T | 84.2 | Confident | 80.6 | Confident | 62 Ų | 62 | 77.8 Ų | 77.8 | 38% | 0.38 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 138.5 | 169.9 | 34.6 | 0 | 0 | 0 | 0 | 108.9 | Q362 V364 | Q362-T372 WeakPolarHBondContact CG-O 3.27Å; Q362-T372 PolarHBondContact N-O 3.08Å; Q362-T372 PolarHBondContact O-N 3.42Å; Q362-T372 PolarHBondContact O-OG1 3.03Å; V364-T372 HydrophobicContact CG2-CG2 3.65Å |
| 373 | D | 84 | Confident | 80.5 | Confident | 32 Ų | 32 | 74.6 Ų | 74.6 | 17% | 0.171 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -48.9 | 137.9 | 170.6 | 169 | 107.1 | 0 | 0 | 0 | 111.6 | Y361 N375 N390 D392 G393 | Y361-D373 HydrophobicContact CD1-CB 4.14Å; Y361-D373 HydrophobicContact CE1-CB 4.19Å; D373-N375 PolarHBondContact O-N 3.46Å; D373-N375 WeakPolarHBondContact OD2-CA 3.47Å; D373-N375 PolarHBondContact OD2-N 3.02Å; D373-N375 VanDerWaalsContact OD2-N 3.16Å; D373-N390 PolarHBondContact OD1-ND2 2.67Å; D373-N390 PolarHBondContact OD2-ND2 2.73Å; D373-D392 WeakPolarHBondContact OD1-CA 3.32Å; D373-G393 PolarHBondContact OD1-N 2.04Å |
| 374 | I | 81.8 | Confident | 80.9 | Confident | 66 Ų | 66 | 71.6 Ų | 71.6 | 34% | 0.338 | 40% | 0.4 | S | S | . | . | trans | -88.2 | 99.5 | 169.6 | -61.8 | 169.9 | 0 | 0 | 0 | 106.2 | G360 Q362 E376 | G360-I374 WeakPolarHBondContact O-CB 3.45Å; G360-I374 PolarHBondContact O-N 3.38Å; Q362-I374 HydrophobicContact CB-CD1 4.1Å; Q362-I374 HydrophobicContact CB-CG1 3.76Å; Q362-I374 HydrophobicContact CG-CG1 3.74Å; I374-E376 HydrophobicContact CG2-CG 4.37Å; I374-E376 WeakPolarHBondContact O-CG 3.43Å; I374-E376 PolarHBondContact O-N 2.84Å | ||
| 375 | N | 82.2 | Confident | 81.1 | Confident | 68 Ų | 68 | 75.1 Ų | 75.1 | 36% | 0.364 | 41% | 0.414 | S | S | . | . | trans | -69.1 | 88.8 | -178.2 | -176.3 | -63.5 | 0 | 0 | 0 | 111.3 | D373 C377 S378 N390 | D373-N375 PolarHBondContact O-N 3.46Å; D373-N375 WeakPolarHBondContact OD2-CA 3.47Å; D373-N375 PolarHBondContact OD2-N 3.02Å; D373-N375 VanDerWaalsContact OD2-N 3.16Å; N375-C377 PolarHBondContact O-N 2.87Å; N375-S378 WeakPolarHBondContact O-CB 3.47Å; N375-S378 PolarHBondContact O-N 3.41Å; N375-S378 PolarHBondContact O-OG 3.34Å; N375-S378 PolarHBondContact OD1-N 2.87Å; N375-S378 PolarHBondContact OD1-OG 2.74Å; N375-N390 WeakPolarHBondContact CA-OD1 3.36Å; N375-N390 WeakPolarHBondContact CB-OD1 3.34Å; N375-N390 VanDerWaalsContact ND2-CG 3.27Å; N375-N390 PolarHBondContact ND2-OD1 2.79Å; N375-N390 PolarHBondContact OD1-OD1 3.48Å | ||
| 376 | E | 85.1 | Confident | 81.7 | Confident | 40 Ų | 40 | 71.5 Ų | 71.5 | 19% | 0.187 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -68.8 | -22.1 | -174.8 | -52 | 97.2 | 149.4 | 0 | 0 | 111.8 | I374 S378 M379 G382 N390 Y395 | I374-E376 HydrophobicContact CG2-CG 4.37Å; I374-E376 WeakPolarHBondContact O-CG 3.43Å; I374-E376 PolarHBondContact O-N 2.84Å; E376-S378 PolarHBondContact O-N 2.03Å; E376-M379 CarbonylContact O-C 3.51Å; E376-M379 PolarHBondContact O-N 2.82Å; E376-M379 VanDerWaalsContact O-O 3.11Å; E376-G382 PolarHBondContact O-N 3.02Å; E376-G382 VanDerWaalsContact O-N 3.15Å; E376-N390 PolarHBondContact N-OD1 3.31Å; E376-Y395 HydrophobicContact CB-CD1 3.65Å; E376-Y395 HydrophobicContact CB-CE1 3.99Å; E376-Y395 HydrophobicContact CB-CG 4.08Å; E376-Y395 HydrophobicContact CG-CD1 3.79Å; E376-Y395 HydrophobicContact CG-CE1 4.11Å; E376-Y395 WeakPolarHBondContact OE2-CB 3.41Å; E376-Y395 WeakPolarHBondContact OE2-CD1 3.42Å |
| 377 | C | 86.7 | Confident | 81.9 | Confident | 25 Ų | 25 | 66.3 Ų | 66.3 | 17% | 0.169 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -60 | -25.6 | 171.7 | -57.2 | 0 | 0 | 0 | 0 | 113 | N375 M379 N381 C388 N390 | N375-C377 PolarHBondContact O-N 2.87Å; C377-M379 PolarHBondContact O-N 2.98Å; C377-N381 WeakPolarHBondContact O-CA 3.04Å; C377-N381 PolarHBondContact O-N 2.98Å; C377-C388 WeakPolarHBondContact CA-SG 3.39Å; C377-C388 HydrophobicContact CB-CB 3.6Å; C377-C388 WeakPolarHBondContact CB-SG 3.27Å; C377-C388 WeakPolarHBondContact SG-CB 3.35Å; C377-C388 PolarHBondContact SG-O 2.85Å; C377-C388 VanDerWaalsContact SG-O 3.39Å; C377-C388 CovalentContact SG-SG 2.03Å; C377-C388 PolarHBondContact SG-SG 2.85Å; C377-N390 PolarHBondContact SG-N 3.11Å |
| 378 | S | 83.2 | Confident | 82.5 | Confident | 89 Ų | 89 | 63.7 Ų | 63.7 | 62% | 0.622 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -64 | -27.8 | 171.5 | -58.8 | 0 | 0 | 0 | 0 | 112.8 | N375 E376 | N375-S378 WeakPolarHBondContact O-CB 3.47Å; N375-S378 PolarHBondContact O-N 3.41Å; N375-S378 PolarHBondContact O-OG 3.34Å; N375-S378 PolarHBondContact OD1-N 2.87Å; N375-S378 PolarHBondContact OD1-OG 2.74Å; E376-S378 PolarHBondContact O-N 2.03Å |
| 379 | M | 76.4 | Confident | 82.9 | Confident | 151 Ų | 151 | 66.8 Ų | 66.8 | 74% | 0.744 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.3 | 96.8 | -172.7 | -69.8 | -65.4 | -74.8 | 0 | 0 | 110.3 | E376 C377 N381 G382 | E376-M379 CarbonylContact O-C 3.51Å; E376-M379 PolarHBondContact O-N 2.82Å; E376-M379 VanDerWaalsContact O-O 3.11Å; C377-M379 PolarHBondContact O-N 2.98Å; M379-N381 PolarHBondContact O-N 3.47Å; M379-G382 PolarHBondContact O-N 2.84Å; M379-G382 VanDerWaalsContact O-N 3.14Å |
| 380 | N | 79.8 | Confident | 82.9 | Confident | 150 Ų | 150 | 64.9 Ų | 64.9 | 80% | 0.802 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | 53.3 | 37.3 | 179.4 | -164.6 | 42.3 | 0 | 0 | 0 | 113.3 | G382 G383 | N380-G382 PolarHBondContact O-N 2.67Å; N380-G383 PolarHBondContact O-N 3.18Å |
| 381 | N | 83.6 | Confident | 82.5 | Confident | 57 Ų | 57 | 62.8 Ų | 62.8 | 31% | 0.305 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | 57.2 | 31.2 | -179.6 | -159.2 | 49.1 | 0 | 0 | 0 | 113.3 | C377 M379 G383 C384 Q386 C388 | C377-N381 WeakPolarHBondContact O-CA 3.04Å; C377-N381 PolarHBondContact O-N 2.98Å; M379-N381 PolarHBondContact O-N 3.47Å; N381-G383 PolarHBondContact O-N 3.39Å; N381-C384 PolarHBondContact ND2-O 2.82Å; N381-C384 WeakPolarHBondContact O-CB 3.05Å; N381-C384 PolarHBondContact O-N 2.03Å; N381-C384 PolarHBondContact O-SG 2.91Å; N381-Q386 PolarHBondContact ND2-O 3.36Å; N381-C388 WeakPolarHBondContact O-CB 3.29Å; N381-C388 VanDerWaalsContact OD1-CB 3.23Å; N381-C388 WeakPolarHBondContact OD1-CB 3.18Å |
| 382 | G | 74.8 | Confident | 82.2 | Confident | 10 Ų | 10 | 68.3 Ų | 68.3 | 10% | 0.103 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | 63.4 | 5.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | E376 M379 N380 C384 Y395 K410 | E376-G382 PolarHBondContact O-N 3.02Å; E376-G382 VanDerWaalsContact O-N 3.15Å; M379-G382 PolarHBondContact O-N 2.84Å; M379-G382 VanDerWaalsContact O-N 3.14Å; N380-G382 PolarHBondContact O-N 2.67Å; G382-C384 VanDerWaalsContact C-N 3.28Å; G382-Y395 WeakPolarHBondContact O-CE2 2.98Å; G382-Y395 VanDerWaalsContact O-CZ 3.23Å; G382-Y395 PolarHBondContact O-OH 3.03Å; G382-K410 PolarHBondContact O-NZ 3.44Å |
| 383 | G | 81.8 | Confident | 81.7 | Confident | 38 Ų | 38 | 66.1 Ų | 66.1 | 39% | 0.392 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | 74.8 | 11.4 | -164 | 0 | 0 | 0 | 0 | 0 | 114.5 | N380 N381 | N380-G383 PolarHBondContact O-N 3.18Å; N381-G383 PolarHBondContact O-N 3.39Å |
| 384 | C | 86 | Confident | 81.3 | Confident | 9 Ų | 9 | 67.5 Ų | 67.5 | 6% | 0.061 | 37% | 0.372 | C | S | . | . | trans | -70.3 | 138 | 171.3 | -54.1 | 0 | 0 | 0 | 0 | 110.8 | N381 G382 Q386 L387 C388 C397 | N381-C384 PolarHBondContact ND2-O 2.82Å; N381-C384 WeakPolarHBondContact O-CB 3.05Å; N381-C384 PolarHBondContact O-N 2.03Å; N381-C384 PolarHBondContact O-SG 2.91Å; G382-C384 VanDerWaalsContact C-N 3.28Å; C384-Q386 VanDerWaalsContact C-N 3.32Å; C384-Q386 PolarHBondContact O-N 2.88Å; C384-L387 WeakPolarHBondContact CB-O 3.05Å; C384-C388 HydrophobicContact CB-CB 4.15Å; C384-C397 WeakPolarHBondContact CA-SG 3.38Å; C384-C397 HydrophobicContact CB-CB 3.61Å; C384-C397 WeakPolarHBondContact CB-SG 3.45Å; C384-C397 WeakPolarHBondContact SG-CA 3Å; C384-C397 WeakPolarHBondContact SG-CB 3.35Å; C384-C397 CovalentContact SG-SG 2.03Å; C384-C397 PolarHBondContact SG-SG 2.92Å | ||
| 385 | Q | 84.2 | Confident | 81.5 | Confident | 110 Ų | 110 | 67 Ų | 67 | 51% | 0.514 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -69 | -28.1 | -179.5 | -173.9 | -174.2 | -22.8 | 0 | 0 | 113.1 | K410 S411 C412 | Q385-K410 WeakPolarHBondContact CB-O 3.44Å; Q385-K410 PolarHBondContact N-O 2.78Å; Q385-S411 VanDerWaalsContact OE1-CA 3.3Å; Q385-C412 PolarHBondContact NE2-O 3.45Å; Q385-C412 PolarHBondContact OE1-O 3.33Å |
| 386 | Q | 87 | Confident | 81.6 | Confident | 41 Ų | 41 | 66.2 Ų | 66.2 | 19% | 0.192 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -128.9 | -91.3 | -175.7 | -64.9 | -167.3 | 18.4 | 0 | 0 | 112.9 | N381 C384 N400 C412 | N381-Q386 PolarHBondContact ND2-O 3.36Å; C384-Q386 VanDerWaalsContact C-N 3.32Å; C384-Q386 PolarHBondContact O-N 2.88Å; Q386-N400 PolarHBondContact OE1-ND2 3.46Å; Q386-C412 HydrophobicContact CB-CB 4.46Å; Q386-C412 HydrophobicContact CG-CB 3.81Å |
| 387 | L | 81.7 | Confident | 81.6 | Confident | 81 Ų | 81 | 65 Ų | 65 | 42% | 0.424 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 136 | 178.7 | -157.4 | 71.5 | 0 | 0 | 0 | 108.6 | C384 C397 D398 | C384-L387 WeakPolarHBondContact CB-O 3.05Å; L387-C397 WeakPolarHBondContact O-CA 3.3Å; L387-D398 WeakPolarHBondContact CA-O 3.49Å; L387-D398 HydrophobicContact CB-CB 4.19Å; L387-D398 VanDerWaalsContact CB-O 3.24Å; L387-D398 WeakPolarHBondContact CB-O 3.25Å; L387-D398 HydrophobicContact CD2-CB 4.28Å; L387-D398 PolarHBondContact N-O 3.42Å; L387-D398 PolarHBondContact O-N 3.28Å; L387-D398 VanDerWaalsContact O-O 3.07Å |
| 388 | C | 88.7 | Confident | 81.3 | Confident | 17 Ų | 17 | 67.5 Ų | 67.5 | 12% | 0.115 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 118.1 | 161.8 | -176.6 | 0 | 0 | 0 | 0 | 106.7 | C377 N381 C384 Y395 | C377-C388 WeakPolarHBondContact CA-SG 3.39Å; C377-C388 HydrophobicContact CB-CB 3.6Å; C377-C388 WeakPolarHBondContact CB-SG 3.27Å; C377-C388 WeakPolarHBondContact SG-CB 3.35Å; C377-C388 PolarHBondContact SG-O 2.85Å; C377-C388 VanDerWaalsContact SG-O 3.39Å; C377-C388 CovalentContact SG-SG 2.03Å; C377-C388 PolarHBondContact SG-SG 2.85Å; N381-C388 WeakPolarHBondContact O-CB 3.29Å; N381-C388 VanDerWaalsContact OD1-CB 3.23Å; N381-C388 WeakPolarHBondContact OD1-CB 3.18Å; C384-C388 HydrophobicContact CB-CB 4.15Å; C388-Y395 VanDerWaalsContact SG-CD2 3.58Å |
| 389 | R | 82.4 | Confident | 81.2 | Confident | 156 Ų | 156 | 63.9 Ų | 63.9 | 59% | 0.589 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 117.1 | 171.7 | 179.8 | -179.3 | 174.5 | 175.2 | -3.5 | 107.6 | V391 Y395 S396 | R389-V391 HydrophobicContact CG-CG2 4.17Å; R389-V391 WeakPolarHBondContact O-CG2 3.39Å; R389-Y395 CarbonylContact O-C 3.52Å; R389-Y395 WeakPolarHBondContact O-CA 3.34Å; R389-S396 PolarHBondContact N-O 2.9Å; R389-S396 PolarHBondContact O-N 3.12Å |
| 390 | N | 81.4 | Confident | 81.2 | Confident | 45 Ų | 45 | 58.2 Ų | 58.2 | 24% | 0.241 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 134.2 | 172.1 | -141.9 | 84 | 0 | 0 | 0 | 109.8 | D373 N375 E376 C377 | D373-N390 PolarHBondContact OD1-ND2 2.67Å; D373-N390 PolarHBondContact OD2-ND2 2.73Å; N375-N390 WeakPolarHBondContact CA-OD1 3.36Å; N375-N390 WeakPolarHBondContact CB-OD1 3.34Å; N375-N390 VanDerWaalsContact ND2-CG 3.27Å; N375-N390 PolarHBondContact ND2-OD1 2.79Å; N375-N390 PolarHBondContact OD1-OD1 3.48Å; E376-N390 PolarHBondContact N-OD1 3.31Å; C377-N390 PolarHBondContact SG-N 3.11Å |
| 391 | V | 73.1 | Confident | 80.3 | Confident | 67 Ų | 67 | 57 Ų | 57 | 41% | 0.406 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 104.3 | -176 | -157.4 | 0 | 0 | 0 | 0 | 109.1 | R389 G393 S394 S396 | R389-V391 HydrophobicContact CG-CG2 4.17Å; R389-V391 WeakPolarHBondContact O-CG2 3.39Å; V391-G393 PolarHBondContact O-N 3.33Å; V391-S394 CarbonylContact C-O 3.3Å; V391-S394 PolarHBondContact N-O 3.23Å; V391-S394 CarbonylContact O-C 3.6Å; V391-S394 PolarHBondContact O-N 2.89Å; V391-S396 WeakPolarHBondContact CG2-OG 3.43Å |
| 392 | D | 77.7 | Confident | 78.8 | Confident | 121 Ų | 121 | 56.5 Ų | 56.5 | 65% | 0.647 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -20.3 | 98.3 | -169.4 | -149.9 | 33.4 | 0 | 0 | 0 | 114.7 | Y361 D373 | Y361-D392 VanDerWaalsContact CZ-C 3.46Å; Y361-D392 PolarHBondContact OH-O 3.34Å; D373-D392 WeakPolarHBondContact OD1-CA 3.32Å |
| 393 | G | 73.3 | Confident | 78.9 | Confident | 15 Ų | 15 | 60.9 Ų | 60.9 | 16% | 0.155 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.9 | 9.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y361 D373 V391 | Y361-G393 VanDerWaalsContact CZ-N 3.3Å; Y361-G393 PolarHBondContact OH-N 3.14Å; D373-G393 PolarHBondContact OD1-N 2.04Å; V391-G393 PolarHBondContact O-N 3.33Å |
| 394 | S | 77.1 | Confident | 78.1 | Confident | 62 Ų | 62 | 64 Ų | 64 | 43% | 0.434 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.3 | -174.4 | 175.3 | -149.8 | 0 | 0 | 0 | 0 | 111.5 | V391 | V391-S394 CarbonylContact C-O 3.3Å; V391-S394 PolarHBondContact N-O 3.23Å; V391-S394 CarbonylContact O-C 3.6Å; V391-S394 PolarHBondContact O-N 2.89Å |
| 395 | Y | 85.3 | Confident | 77.7 | Confident | 56 Ų | 56 | 67 Ų | 67 | 22% | 0.22 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 136.5 | 167.3 | 68.8 | -72.3 | 0 | 0 | 0 | 110.7 | E376 G382 C388 R389 K410 | E376-Y395 HydrophobicContact CB-CD1 3.65Å; E376-Y395 HydrophobicContact CB-CE1 3.99Å; E376-Y395 HydrophobicContact CB-CG 4.08Å; E376-Y395 HydrophobicContact CG-CD1 3.79Å; E376-Y395 HydrophobicContact CG-CE1 4.11Å; E376-Y395 WeakPolarHBondContact OE2-CB 3.41Å; E376-Y395 WeakPolarHBondContact OE2-CD1 3.42Å; G382-Y395 WeakPolarHBondContact O-CE2 2.98Å; G382-Y395 VanDerWaalsContact O-CZ 3.23Å; G382-Y395 PolarHBondContact O-OH 3.03Å; C388-Y395 VanDerWaalsContact SG-CD2 3.58Å; R389-Y395 CarbonylContact O-C 3.52Å; R389-Y395 WeakPolarHBondContact O-CA 3.34Å; Y395-K410 WeakPolarHBondContact OH-CE 3.01Å; Y395-K410 PolarHBondContact OH-NZ 3.33Å |
| 396 | S | 83.4 | Confident | 77.1 | Confident | 51 Ų | 51 | 62.4 Ų | 62.4 | 36% | 0.357 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 128.2 | 164.9 | 58.1 | 0 | 0 | 0 | 0 | 109.3 | R389 V391 | R389-S396 PolarHBondContact N-O 2.9Å; R389-S396 PolarHBondContact O-N 3.12Å; V391-S396 WeakPolarHBondContact CG2-OG 3.43Å |
| 397 | C | 86 | Confident | 76.2 | Confident | 14 Ų | 14 | 69 Ų | 69 | 10% | 0.095 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 139.3 | 161.5 | -59 | 0 | 0 | 0 | 0 | 108.9 | C384 L387 I405 G409 | C384-C397 WeakPolarHBondContact CA-SG 3.38Å; C384-C397 HydrophobicContact CB-CB 3.61Å; C384-C397 WeakPolarHBondContact CB-SG 3.45Å; C384-C397 WeakPolarHBondContact SG-CA 3Å; C384-C397 WeakPolarHBondContact SG-CB 3.35Å; C384-C397 CovalentContact SG-SG 2.03Å; C384-C397 PolarHBondContact SG-SG 2.92Å; L387-C397 WeakPolarHBondContact O-CA 3.3Å; C397-I405 HydrophobicContact CB-CD1 4.06Å; C397-I405 WeakPolarHBondContact O-CD1 3.19Å; C397-G409 VanDerWaalsContact CB-O 3.32Å; C397-G409 WeakPolarHBondContact CB-O 3.24Å; C397-G409 PolarHBondContact SG-O 3.29Å |
| 398 | D | 81.1 | Confident | 75.8 | Confident | 78 Ų | 78 | 69.3 Ų | 69.3 | 42% | 0.417 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 159.6 | 178.3 | -172.1 | 16.8 | 0 | 0 | 0 | 108.8 | L387 | L387-D398 WeakPolarHBondContact CA-O 3.49Å; L387-D398 HydrophobicContact CB-CB 4.19Å; L387-D398 VanDerWaalsContact CB-O 3.24Å; L387-D398 WeakPolarHBondContact CB-O 3.25Å; L387-D398 HydrophobicContact CD2-CB 4.28Å; L387-D398 PolarHBondContact N-O 3.42Å; L387-D398 PolarHBondContact O-N 3.28Å; L387-D398 VanDerWaalsContact O-O 3.07Å |
| 399 | C | 80.9 | Confident | 75 | Confident | 13 Ų | 13 | 70.2 Ų | 70.2 | 9% | 0.088 | 39% | 0.394 | C | S | . | . | trans | -116.9 | 148.4 | -171.5 | -57.3 | 0 | 0 | 0 | 0 | 110.6 | W403 Q404 C412 | C399-W403 HydrophobicContact CB-CB 3.74Å; C399-Q404 VanDerWaalsContact SG-C 3.51Å; C399-C412 VanDerWaalsContact CA-SG 3.51Å; C399-C412 HydrophobicContact CB-CB 3.84Å; C399-C412 WeakPolarHBondContact CB-SG 3.27Å; C399-C412 WeakPolarHBondContact SG-CB 3.45Å; C399-C412 CovalentContact SG-SG 2.04Å; C399-C412 PolarHBondContact SG-SG 2.62Å | ||
| 400 | N | 76.2 | Confident | 75 | Confident | 32 Ų | 32 | 66.8 Ų | 66.8 | 17% | 0.171 | 38% | 0.384 | C | S | . | . | trans | -63.4 | 150 | 174.1 | -71.4 | -87.6 | 0 | 0 | 0 | 109.7 | Q386 G402 W403 K1380 | Q386-N400 PolarHBondContact OE1-ND2 3.46Å; N400-G402 PolarHBondContact O-N 2.03Å; N400-W403 WeakPolarHBondContact O-CB 3.24Å; N400-W403 VanDerWaalsContact O-CD1 3.28Å; N400-W403 PolarHBondContact O-N 3.28Å; N400-W403 VanDerWaalsContact O-N 3.08Å; N400-K1380 PolarHBondContact OD1-NZ 3.15Å | ||
| 401 | P | 60.6 | Low | 74.9 | Confident | 124 Ų | 124 | 66.9 Ų | 66.9 | 81% | 0.805 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.7 | 132.7 | 178.4 | -30.9 | 36.2 | 0 | 0 | 0 | 113 | ||
| 402 | G | 52 | Low | 75.1 | Confident | 47 Ų | 47 | 64 Ų | 64 | 49% | 0.485 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89 | 11.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | N400 R414 V415 | N400-G402 PolarHBondContact O-N 2.03Å; G402-R414 WeakPolarHBondContact O-CG 3.39Å; G402-V415 PolarHBondContact O-N 2.86Å |
| 403 | W | 77 | Confident | 74.4 | Confident | 101 Ų | 101 | 63.5 Ų | 63.5 | 38% | 0.383 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 149.3 | 175.7 | -58.7 | 71.3 | 0 | 0 | 0 | 110.1 | C399 N400 C412 Y413 R414 | C399-W403 HydrophobicContact CB-CB 3.74Å; N400-W403 WeakPolarHBondContact O-CB 3.24Å; N400-W403 VanDerWaalsContact O-CD1 3.28Å; N400-W403 PolarHBondContact O-N 3.28Å; N400-W403 VanDerWaalsContact O-N 3.08Å; W403-C412 HydrophobicContact CB-CB 4.45Å; W403-C412 HydrophobicContact CE3-CB 4.33Å; W403-C412 VanDerWaalsContact CE3-O 3.3Å; W403-C412 WeakPolarHBondContact CZ3-O 3.26Å; W403-Y413 CarbonylContact C-O 3.37Å; W403-Y413 VanDerWaalsContact CA-O 3.23Å; W403-Y413 WeakPolarHBondContact CA-O 3.41Å; W403-Y413 VanDerWaalsContact CE3-C 3.43Å; W403-R414 HydrophobicContact CD2-CB 3.64Å; W403-R414 HydrophobicContact CD2-CG 4.01Å; W403-R414 VanDerWaalsContact CE3-CA 3.5Å; W403-R414 HydrophobicContact CE3-CB 3.64Å; W403-R414 HydrophobicContact CG-CB 4.32Å; W403-R414 HydrophobicContact CG-CG 4.39Å; W403-R414 HydrophobicContact CH2-CB 3.94Å; W403-R414 HydrophobicContact CZ2-CB 3.94Å; W403-R414 HydrophobicContact CZ2-CG 4.13Å; W403-R414 HydrophobicContact CZ3-CB 3.8Å |
| 404 | Q | 65.5 | Low | 73.4 | Confident | 103 Ų | 103 | 70.6 Ų | 70.6 | 48% | 0.481 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 155.8 | 174.1 | -83.8 | 176.9 | -2.2 | 0 | 0 | 110.6 | C399 C412 Y413 V415 | C399-Q404 VanDerWaalsContact SG-C 3.51Å; Q404-C412 CarbonylContact O-C 3.6Å; Q404-C412 VanDerWaalsContact O-CA 3.28Å; Q404-C412 WeakPolarHBondContact O-CA 3.43Å; Q404-Y413 HydrophobicContact CB-CD2 4.22Å; Q404-Y413 HydrophobicContact CB-CE1 4.18Å; Q404-Y413 HydrophobicContact CB-CE2 3.55Å; Q404-Y413 HydrophobicContact CG-CE2 4.47Å; Q404-Y413 PolarHBondContact N-O 3.38Å; Q404-Y413 WeakPolarHBondContact O-CD1 3.24Å; Q404-Y413 PolarHBondContact O-N 3.02Å; Q404-Y413 PolarHBondContact OE1-OH 2.98Å; Q404-V415 HydrophobicContact CB-CG2 3.71Å; Q404-V415 HydrophobicContact CG-CG2 3.65Å |
| 405 | I | 77.5 | Confident | 71.8 | Confident | 73 Ų | 73 | 69.8 Ų | 69.8 | 37% | 0.374 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 139.9 | -179.8 | -164.2 | 172.8 | 0 | 0 | 0 | 112.1 | C397 S411 Y413 | C397-I405 HydrophobicContact CB-CD1 4.06Å; C397-I405 WeakPolarHBondContact O-CD1 3.19Å; I405-S411 CarbonylContact C-O 3.47Å; I405-S411 WeakPolarHBondContact CA-O 3.33Å; I405-Y413 WeakPolarHBondContact O-CE1 3.4Å |
| 406 | G | 72.2 | Confident | 69.6 | Low | 13 Ų | 13 | 71.5 Ų | 71.5 | 13% | 0.134 | 39% | 0.391 | C | S | . | . | trans | -71.2 | 163.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D408 G409 S411 | G406-D408 PolarHBondContact O-N 2.94Å; G406-G409 PolarHBondContact O-N 3.46Å; G406-S411 PolarHBondContact N-O 3.31Å | ||
| 407 | N | 66.6 | Low | 67.2 | Low | 181 Ų | 181 | 76.2 Ų | 76.2 | 97% | 0.968 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -10.9 | 171.4 | -75 | 8.3 | 0 | 0 | 0 | 113.7 | ||
| 408 | D | 73.7 | Confident | 64.9 | Low | 87 Ų | 87 | 80.9 Ų | 80.9 | 47% | 0.465 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -6.9 | 173.8 | 67.2 | -17.6 | 0 | 0 | 0 | 113.2 | G406 K410 S411 | G406-D408 PolarHBondContact O-N 2.94Å; D408-K410 PolarHBondContact O-N 2.8Å; D408-K410 PolarHBondContact OD1-N 2.03Å; D408-S411 VanDerWaalsContact CG-N 3.3Å; D408-S411 WeakPolarHBondContact OD1-CB 3.32Å; D408-S411 PolarHBondContact OD1-N 3.43Å; D408-S411 VanDerWaalsContact OD2-CB 3.25Å; D408-S411 WeakPolarHBondContact OD2-CB 3.42Å; D408-S411 PolarHBondContact OD2-N 3.06Å; D408-S411 PolarHBondContact OD2-OG 2.97Å |
| 409 | G | 72.4 | Confident | 63 | Low | 36 Ų | 36 | 81.9 Ų | 81.9 | 37% | 0.371 | 44% | 0.44 | S | S | . | . | S | Bend | trans | 66.1 | 15.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | C397 G406 | C397-G409 VanDerWaalsContact CB-O 3.32Å; C397-G409 WeakPolarHBondContact CB-O 3.24Å; C397-G409 PolarHBondContact SG-O 3.29Å; G406-G409 PolarHBondContact O-N 3.46Å |
| 410 | K | 81.2 | Confident | 61.4 | Low | 83 Ų | 83 | 85 Ų | 85 | 36% | 0.361 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -139.9 | -37.2 | -172.5 | -65.2 | -166.6 | 175.9 | -166.9 | 0 | 114.4 | G382 Q385 Y395 D408 | G382-K410 PolarHBondContact O-NZ 3.44Å; Q385-K410 WeakPolarHBondContact CB-O 3.44Å; Q385-K410 PolarHBondContact N-O 2.78Å; Y395-K410 WeakPolarHBondContact OH-CE 3.01Å; Y395-K410 PolarHBondContact OH-NZ 3.33Å; D408-K410 PolarHBondContact O-N 2.8Å; D408-K410 PolarHBondContact OD1-N 2.03Å |
| 411 | S | 79.9 | Confident | 60.7 | Low | 48 Ų | 48 | 85.7 Ų | 85.7 | 34% | 0.336 | 47% | 0.466 | S | S | . | . | trans | -73.9 | 156.1 | 174.4 | -64.2 | 0 | 0 | 0 | 0 | 111.3 | Q385 I405 G406 D408 | Q385-S411 VanDerWaalsContact OE1-CA 3.3Å; I405-S411 CarbonylContact C-O 3.47Å; I405-S411 WeakPolarHBondContact CA-O 3.33Å; G406-S411 PolarHBondContact N-O 3.31Å; D408-S411 VanDerWaalsContact CG-N 3.3Å; D408-S411 WeakPolarHBondContact OD1-CB 3.32Å; D408-S411 PolarHBondContact OD1-N 3.43Å; D408-S411 VanDerWaalsContact OD2-CB 3.25Å; D408-S411 WeakPolarHBondContact OD2-CB 3.42Å; D408-S411 PolarHBondContact OD2-N 3.06Å; D408-S411 PolarHBondContact OD2-OG 2.97Å | ||
| 412 | C | 76.7 | Confident | 60.9 | Low | 5 Ų | 5 | 81.3 Ų | 81.3 | 3% | 0.034 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 120.9 | 171.9 | -71.1 | 0 | 0 | 0 | 0 | 109.5 | Q385 Q386 C399 W403 Q404 | Q385-C412 PolarHBondContact NE2-O 3.45Å; Q385-C412 PolarHBondContact OE1-O 3.33Å; Q386-C412 HydrophobicContact CB-CB 4.46Å; Q386-C412 HydrophobicContact CG-CB 3.81Å; C399-C412 VanDerWaalsContact CA-SG 3.51Å; C399-C412 HydrophobicContact CB-CB 3.84Å; C399-C412 WeakPolarHBondContact CB-SG 3.27Å; C399-C412 WeakPolarHBondContact SG-CB 3.45Å; C399-C412 CovalentContact SG-SG 2.04Å; C399-C412 PolarHBondContact SG-SG 2.62Å; W403-C412 HydrophobicContact CB-CB 4.45Å; W403-C412 HydrophobicContact CE3-CB 4.33Å; W403-C412 VanDerWaalsContact CE3-O 3.3Å; W403-C412 WeakPolarHBondContact CZ3-O 3.26Å; Q404-C412 CarbonylContact O-C 3.6Å; Q404-C412 VanDerWaalsContact O-CA 3.28Å; Q404-C412 WeakPolarHBondContact O-CA 3.43Å |
| 413 | Y | 64.6 | Low | 62 | Low | 112 Ų | 112 | 80.2 Ų | 80.2 | 44% | 0.439 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 139 | 174.9 | 58.5 | -96.3 | 0 | 0 | 0 | 111.2 | W403 Q404 I405 V415 | W403-Y413 CarbonylContact C-O 3.37Å; W403-Y413 VanDerWaalsContact CA-O 3.23Å; W403-Y413 WeakPolarHBondContact CA-O 3.41Å; W403-Y413 VanDerWaalsContact CE3-C 3.43Å; Q404-Y413 HydrophobicContact CB-CD2 4.22Å; Q404-Y413 HydrophobicContact CB-CE1 4.18Å; Q404-Y413 HydrophobicContact CB-CE2 3.55Å; Q404-Y413 HydrophobicContact CG-CE2 4.47Å; Q404-Y413 PolarHBondContact N-O 3.38Å; Q404-Y413 WeakPolarHBondContact O-CD1 3.24Å; Q404-Y413 PolarHBondContact O-N 3.02Å; Q404-Y413 PolarHBondContact OE1-OH 2.98Å; I405-Y413 WeakPolarHBondContact O-CE1 3.4Å; Y413-V415 HydrophobicContact CD2-CG2 3.75Å; Y413-V415 HydrophobicContact CE2-CG2 3.53Å; Y413-V415 PolarHBondContact O-N 3.3Å |
| 414 | R | 51.5 | Low | 61.6 | Low | 164 Ų | 164 | 81.5 Ų | 81.5 | 62% | 0.619 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 115.9 | -176.6 | -169.6 | -170.7 | 66.9 | 169.6 | -0.1 | 110 | G402 W403 V416 | G402-R414 WeakPolarHBondContact O-CG 3.39Å; W403-R414 HydrophobicContact CD2-CB 3.64Å; W403-R414 HydrophobicContact CD2-CG 4.01Å; W403-R414 VanDerWaalsContact CE3-CA 3.5Å; W403-R414 HydrophobicContact CE3-CB 3.64Å; W403-R414 HydrophobicContact CG-CB 4.32Å; W403-R414 HydrophobicContact CG-CG 4.39Å; W403-R414 HydrophobicContact CH2-CB 3.94Å; W403-R414 HydrophobicContact CZ2-CB 3.94Å; W403-R414 HydrophobicContact CZ2-CG 4.13Å; W403-R414 HydrophobicContact CZ3-CB 3.8Å; R414-V416 HydrophobicContact CG-CG2 4.48Å |
| 415 | V | 44.1 | Very low | 61.2 | Low | 44 Ų | 44 | 83.9 Ų | 83.9 | 27% | 0.267 | 44% | 0.436 | S | S | . | . | trans | -89.1 | 122 | 177.3 | 175.4 | 0 | 0 | 0 | 0 | 109.1 | G402 Q404 Y413 L417 | G402-V415 PolarHBondContact O-N 2.86Å; Q404-V415 HydrophobicContact CB-CG2 3.71Å; Q404-V415 HydrophobicContact CG-CG2 3.65Å; Y413-V415 HydrophobicContact CD2-CG2 3.75Å; Y413-V415 HydrophobicContact CE2-CG2 3.53Å; Y413-V415 PolarHBondContact O-N 3.3Å; V415-L417 WeakPolarHBondContact CG1-O 3.47Å | ||
| 416 | V | 38.7 | Very low | 60.5 | Low | 93 Ų | 93 | 87.3 Ų | 87.3 | 56% | 0.564 | 46% | 0.455 | S | S | * | . | trans | -112.1 | 107.8 | 176.8 | -175.7 | 0 | 0 | 0 | 0 | 106.4 | R414 | R414-V416 HydrophobicContact CG-CG2 4.48Š| ||
| 417 | L | 33.8 | Very low | 60.6 | Low | 149 Ų | 149 | 89.2 Ų | 89.2 | 78% | 0.78 | 46% | 0.463 | S | S | * | . | S | Bend | trans | 73.7 | 134.1 | -167.1 | -48.4 | 138.9 | 0 | 0 | 0 | 111.3 | V415 | V415-L417 WeakPolarHBondContact CG1-O 3.47Š|
| 418 | E | 36.5 | Very low | 60.9 | Low | 112 Ų | 112 | 81.3 Ų | 81.3 | 52% | 0.523 | 42% | 0.423 | S | S | . | . | cis | -124.9 | 162 | 14.2 | -72.9 | 163.3 | -138 | 0 | 0 | 113.6 | S420 P732 | E418-S420 PolarHBondContact O-N 3.24Å; E418-S420 VanDerWaalsContact O-N 3.09Å; E418-P732 WeakPolarHBondContact OE1-CB 3.24Å; E418-P732 WeakPolarHBondContact OE1-CG 2.96Å; E418-P732 VanDerWaalsContact OE2-CG 3.24Å; E418-P732 WeakPolarHBondContact OE2-CG 3.34Å | ||
| 419 | V | 41.5 | Very low | 61.1 | Low | 99 Ų | 99 | 78 Ų | 78 | 60% | 0.6 | 41% | 0.409 | S | S | * | . | trans | -84.6 | 81.5 | 179.6 | -170.9 | 0 | 0 | 0 | 0 | 110.8 | D421 R436 | V419-D421 PolarHBondContact O-N 2.85Å; V419-R436 PolarHBondContact O-NH1 3.12Å | ||
| 420 | S | 48 | Very low | 61.7 | Low | 78 Ų | 78 | 76.6 Ų | 76.6 | 55% | 0.545 | 39% | 0.394 | S | S | . | . | trans | -54.1 | 130.1 | 166.3 | 55.7 | 0 | 0 | 0 | 0 | 110.3 | E418 P422 | E418-S420 PolarHBondContact O-N 3.24Å; E418-S420 VanDerWaalsContact O-N 3.09Å; S420-P422 WeakPolarHBondContact O-CD 3.42Å | ||
| 421 | D | 59.8 | Low | 61.8 | Low | 48 Ų | 48 | 76.1 Ų | 76.1 | 26% | 0.257 | 40% | 0.398 | S | S | . | . | trans | -58.3 | 117.6 | 173.3 | 173.1 | 16.3 | 0 | 0 | 0 | 110.6 | V419 C423 R424 | V419-D421 PolarHBondContact O-N 2.85Å; D421-C423 PolarHBondContact O-N 2.55Å; D421-C423 PolarHBondContact OD1-N 2.04Å; D421-R424 HydrophobicContact CB-CG 4.04Å; D421-R424 WeakPolarHBondContact O-CB 3.03Å; D421-R424 PolarHBondContact O-N 3.13Å; D421-R424 VanDerWaalsContact O-N 3.09Å | ||
| 422 | P | 64.7 | Low | 62.1 | Low | 32 Ų | 32 | 76.6 Ų | 76.6 | 21% | 0.208 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -65 | -23 | -173.8 | 28.2 | -36.9 | 0 | 0 | 0 | 112.6 | S420 R424 G428 A442 | S420-P422 WeakPolarHBondContact O-CD 3.42Å; P422-R424 PolarHBondContact O-N 3.08Å; P422-G428 WeakPolarHBondContact O-CA 3.07Å; P422-G428 PolarHBondContact O-N 2.92Å; P422-A442 HydrophobicContact CB-CB 3.88Å; P422-A442 HydrophobicContact CG-CB 3.91Å |
| 423 | C | 75.6 | Confident | 62.4 | Low | 24 Ų | 24 | 80 Ų | 80 | 16% | 0.162 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -69.5 | -9.9 | 176.2 | -60.9 | 0 | 0 | 0 | 0 | 113.7 | D421 N427 C434 S435 | D421-C423 PolarHBondContact O-N 2.55Å; D421-C423 PolarHBondContact OD1-N 2.04Å; C423-N427 WeakPolarHBondContact O-CA 3.38Å; C423-C434 WeakPolarHBondContact CA-SG 3.47Å; C423-C434 HydrophobicContact CB-CB 3.6Å; C423-C434 WeakPolarHBondContact CB-SG 3.13Å; C423-C434 WeakPolarHBondContact SG-CB 3.3Å; C423-C434 PolarHBondContact SG-O 3.21Å; C423-C434 CovalentContact SG-SG 2.04Å; C423-C434 PolarHBondContact SG-SG 3.07Å; C423-S435 VanDerWaalsContact SG-C 3.59Å |
| 424 | R | 68.6 | Low | 63.3 | Low | 127 Ų | 127 | 75.6 Ų | 75.6 | 48% | 0.479 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -78.6 | -18.6 | -179.8 | -72.7 | -176.2 | 157.3 | -158.5 | -12.2 | 115.5 | D421 P422 H728 L729 | D421-R424 HydrophobicContact CB-CG 4.04Å; D421-R424 WeakPolarHBondContact O-CB 3.03Å; D421-R424 PolarHBondContact O-N 3.13Å; D421-R424 VanDerWaalsContact O-N 3.09Å; P422-R424 PolarHBondContact O-N 3.08Å; R424-H728 PolarHBondContact NH2-NE2 2.87Å; R424-L729 VanDerWaalsContact NH1-CD1 3.33Å |
| 425 | F | 57.9 | Low | 64.6 | Low | 153 Ų | 153 | 70.1 Ų | 70.1 | 67% | 0.671 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -119.1 | 123.9 | -179.2 | -66.9 | -80.2 | 0 | 0 | 0 | 108.8 | N427 G428 | F425-N427 PolarHBondContact O-N 3.37Å; F425-G428 PolarHBondContact O-N 3.11Å |
| 426 | D | 62.6 | Low | 65.6 | Low | 146 Ų | 146 | 74 Ų | 74 | 78% | 0.781 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | 51.4 | 30.2 | -178.7 | -156.9 | 37.8 | 0 | 0 | 0 | 113.5 | G428 G429 | D426-G428 PolarHBondContact O-N 3Å; D426-G429 WeakPolarHBondContact O-CA 3.48Å; D426-G429 PolarHBondContact O-N 3.46Å |
| 427 | N | 74.8 | Confident | 67 | Low | 53 Ų | 53 | 70.6 Ų | 70.6 | 28% | 0.283 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | 50.1 | 37.4 | -172.4 | -165.6 | 33 | 0 | 0 | 0 | 113.2 | C423 F425 G429 C430 H432 C434 | C423-N427 WeakPolarHBondContact O-CA 3.38Å; F425-N427 PolarHBondContact O-N 3.37Å; N427-G429 PolarHBondContact O-N 3.22Å; N427-C430 WeakPolarHBondContact CB-O 3.49Å; N427-C430 PolarHBondContact ND2-O 2.94Å; N427-C430 WeakPolarHBondContact O-CB 3.46Å; N427-C430 PolarHBondContact O-N 3.33Å; N427-C430 PolarHBondContact O-SG 3.17Å; N427-H432 PolarHBondContact ND2-O 3.07Å; N427-C434 VanDerWaalsContact O-CB 3.26Å; N427-C434 WeakPolarHBondContact O-CB 3.09Å; N427-C434 VanDerWaalsContact OD1-CB 3.28Å; N427-C434 WeakPolarHBondContact OD1-CB 3.05Å |
| 428 | G | 72.6 | Confident | 68.1 | Low | 14 Ų | 14 | 72 Ų | 72 | 14% | 0.144 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | 69.9 | 6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | P422 F425 D426 | P422-G428 WeakPolarHBondContact O-CA 3.07Å; P422-G428 PolarHBondContact O-N 2.92Å; F425-G428 PolarHBondContact O-N 3.11Å; D426-G428 PolarHBondContact O-N 3Å |
| 429 | G | 78.1 | Confident | 68.8 | Low | 17 Ų | 17 | 71.2 Ų | 71.2 | 18% | 0.175 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | 85.7 | 9.4 | -166.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | D426 N427 R457 | D426-G429 WeakPolarHBondContact O-CA 3.48Å; D426-G429 PolarHBondContact O-N 3.46Å; N427-G429 PolarHBondContact O-N 3.22Å; G429-R457 VanDerWaalsContact O-CB 3.24Å; G429-R457 WeakPolarHBondContact O-CB 3.4Å; G429-R457 WeakPolarHBondContact O-CD 3.03Å; G429-R457 VanDerWaalsContact O-CG 3.28Å; G429-R457 WeakPolarHBondContact O-CG 3.4Å |
| 430 | C | 85.3 | Confident | 69.5 | Low | 7 Ų | 7 | 67.5 Ų | 67.5 | 5% | 0.047 | 37% | 0.371 | C | S | . | . | trans | -90.6 | 137.7 | 178.1 | -48.3 | 0 | 0 | 0 | 0 | 110.7 | N427 C434 C444 | N427-C430 WeakPolarHBondContact CB-O 3.49Å; N427-C430 PolarHBondContact ND2-O 2.94Å; N427-C430 WeakPolarHBondContact O-CB 3.46Å; N427-C430 PolarHBondContact O-N 3.33Å; N427-C430 PolarHBondContact O-SG 3.17Å; C430-C434 HydrophobicContact CB-CB 4.22Å; C430-C444 WeakPolarHBondContact CA-SG 3.48Å; C430-C444 HydrophobicContact CB-CB 3.58Å; C430-C444 WeakPolarHBondContact CB-SG 3.01Å; C430-C444 WeakPolarHBondContact SG-CA 3.36Å; C430-C444 WeakPolarHBondContact SG-CB 3.47Å; C430-C444 CovalentContact SG-SG 2.03Å; C430-C444 PolarHBondContact SG-SG 3.22Å | ||
| 431 | T | 83.4 | Confident | 70.4 | Confident | 73 Ų | 73 | 67.4 Ų | 67.4 | 45% | 0.448 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -73.2 | -34.4 | 178.2 | 61.4 | 0 | 0 | 0 | 0 | 113.1 | R457 T458 C459 | T431-R457 PolarHBondContact N-O 2.79Å; T431-T458 HydrophobicContact CG2-CG2 4.32Å; T431-C459 VanDerWaalsContact OG1-CB 3.3Å; T431-C459 WeakPolarHBondContact OG1-CB 3.37Å; T431-C459 PolarHBondContact OG1-N 2.78Å |
| 432 | H | 84.4 | Confident | 70.8 | Confident | 58 Ų | 58 | 66.8 Ų | 66.8 | 27% | 0.269 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -110.8 | -80.8 | -175.9 | -72.5 | -178.4 | 0 | 0 | 0 | 113.6 | N427 Y450 C459 | N427-H432 PolarHBondContact ND2-O 3.07Å; H432-Y450 AromaticContact CE1-CD1 3.35Å; H432-Y450 WeakPolarHBondContact CE1-CD1 3.31Å; H432-Y450 AromaticContact CE1-CD2 3.53Å; H432-Y450 AromaticContact CE1-CE1 3.5Å; H432-Y450 AromaticContact CE1-CE2 3.67Å; H432-Y450 AromaticContact CE1-CG 3.39Å; H432-Y450 AromaticContact CE1-CZ 3.67Å; H432-Y450 AromaticContact ND1-CG 3.87Å; H432-C459 HydrophobicContact CB-CB 4.43Å; H432-C459 WeakPolarHBondContact ND1-CB 3.12Å |
| 433 | I | 83 | Confident | 71.6 | Confident | 76 Ų | 76 | 69 Ų | 69 | 39% | 0.39 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 130.3 | -172.3 | -56.2 | 166.8 | 0 | 0 | 0 | 109 | C444 S445 | I433-C444 WeakPolarHBondContact O-CA 3.21Å; I433-S445 WeakPolarHBondContact CB-O 3.44Å; I433-S445 WeakPolarHBondContact CB-OG 3.42Å; I433-S445 WeakPolarHBondContact CG2-OG 3.35Å; I433-S445 PolarHBondContact N-O 2.02Å; I433-S445 PolarHBondContact O-N 2.9Å |
| 434 | C | 84.3 | Confident | 72.1 | Confident | 21 Ų | 21 | 68.7 Ų | 68.7 | 14% | 0.142 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 133.4 | 170.9 | -178.9 | 0 | 0 | 0 | 0 | 110.7 | C423 N427 C430 A442 E443 | C423-C434 WeakPolarHBondContact CA-SG 3.47Å; C423-C434 HydrophobicContact CB-CB 3.6Å; C423-C434 WeakPolarHBondContact CB-SG 3.13Å; C423-C434 WeakPolarHBondContact SG-CB 3.3Å; C423-C434 PolarHBondContact SG-O 3.21Å; C423-C434 CovalentContact SG-SG 2.04Å; C423-C434 PolarHBondContact SG-SG 3.07Å; N427-C434 VanDerWaalsContact O-CB 3.26Å; N427-C434 WeakPolarHBondContact O-CB 3.09Å; N427-C434 VanDerWaalsContact OD1-CB 3.28Å; N427-C434 WeakPolarHBondContact OD1-CB 3.05Å; C430-C434 HydrophobicContact CB-CB 4.22Å; C434-A442 VanDerWaalsContact SG-CB 3.52Å; C434-E443 WeakPolarHBondContact CA-O 3.33Å |
| 435 | S | 79.3 | Confident | 72.9 | Confident | 48 Ų | 48 | 65 Ų | 65 | 34% | 0.336 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 138.1 | 170.8 | 43.1 | 0 | 0 | 0 | 0 | 111.1 | C423 E443 | C423-S435 VanDerWaalsContact SG-C 3.59Å; S435-E443 PolarHBondContact N-O 2.83Å; S435-E443 PolarHBondContact O-N 3.06Å; S435-E443 PolarHBondContact OG-O 3.46Å |
| 436 | R | 65.7 | Low | 74.2 | Confident | 125 Ų | 125 | 59.2 Ų | 59.2 | 47% | 0.472 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 121.4 | 175.5 | 174.2 | 178.1 | 169.1 | 151.6 | 1.9 | 110.1 | V419 | V419-R436 PolarHBondContact O-NH1 3.12Å |
| 437 | T | 67.3 | Low | 75.2 | Confident | 23 Ų | 23 | 54.2 Ų | 54.2 | 14% | 0.141 | 32% | 0.323 | C | S | . | . | trans | -78.6 | 161.5 | 173.6 | 55.8 | 0 | 0 | 0 | 0 | 112.6 | S439 G440 T441 E443 | T437-S439 PolarHBondContact O-N 2.66Å; T437-S439 PolarHBondContact OG1-OG 2.88Å; T437-G440 PolarHBondContact O-N 3.32Å; T437-T441 PolarHBondContact N-O 3.28Å; T437-T441 WeakPolarHBondContact OG1-CA 3.04Å; T437-T441 PolarHBondContact OG1-N 2.97Å; T437-T441 PolarHBondContact OG1-O 2.86Å; T437-T441 PolarHBondContact OG1-OG1 3.16Å; T437-E443 HydrophobicContact CG2-CB 4.01Å | ||
| 438 | D | 56.9 | Low | 75.3 | Confident | 177 Ų | 177 | 57.6 Ų | 57.6 | 95% | 0.947 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -29 | 173.8 | -72.4 | -33.9 | 0 | 0 | 0 | 113.1 | G440 | D438-G440 PolarHBondContact O-N 2.99Š|
| 439 | S | 51.4 | Low | 75.6 | Confident | 96 Ų | 96 | 57.7 Ų | 57.7 | 67% | 0.671 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -4.5 | 174 | 45.3 | 0 | 0 | 0 | 0 | 114.2 | T437 T441 | T437-S439 PolarHBondContact O-N 2.66Å; T437-S439 PolarHBondContact OG1-OG 2.88Å; S439-T441 VanDerWaalsContact C-N 3.34Å; S439-T441 PolarHBondContact OG-OG1 2.02Å |
| 440 | G | 56.6 | Low | 76 | Confident | 22 Ų | 22 | 59.4 Ų | 59.4 | 23% | 0.227 | 35% | 0.35 | C | S | . | . | S | Bend | trans | 77.5 | 16.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | T437 D438 | T437-G440 PolarHBondContact O-N 3.32Å; D438-G440 PolarHBondContact O-N 2.99Å |
| 441 | T | 66.6 | Low | 75.9 | Confident | 75 Ų | 75 | 61.9 Ų | 61.9 | 46% | 0.46 | 36% | 0.363 | S | S | . | . | trans | -96.5 | 154.7 | 173.6 | 37.5 | 0 | 0 | 0 | 0 | 112 | T437 S439 | T437-T441 PolarHBondContact N-O 3.28Å; T437-T441 WeakPolarHBondContact OG1-CA 3.04Å; T437-T441 PolarHBondContact OG1-N 2.97Å; T437-T441 PolarHBondContact OG1-O 2.86Å; T437-T441 PolarHBondContact OG1-OG1 3.16Å; S439-T441 VanDerWaalsContact C-N 3.34Å; S439-T441 PolarHBondContact OG-OG1 2.02Å | ||
| 442 | A | 67.4 | Low | 75.9 | Confident | 35 Ų | 35 | 62 Ų | 62 | 29% | 0.289 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 137.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | P422 C434 | P422-A442 HydrophobicContact CB-CB 3.88Å; P422-A442 HydrophobicContact CG-CB 3.91Å; C434-A442 VanDerWaalsContact SG-CB 3.52Å |
| 443 | E | 82.7 | Confident | 75.8 | Confident | 79 Ų | 79 | 63.6 Ų | 63.6 | 37% | 0.369 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 136.9 | 174.1 | 178.1 | 172.8 | -154.3 | 0 | 0 | 108.6 | C434 S435 T437 | C434-E443 WeakPolarHBondContact CA-O 3.33Å; S435-E443 PolarHBondContact N-O 2.83Å; S435-E443 PolarHBondContact O-N 3.06Å; S435-E443 PolarHBondContact OG-O 3.46Å; T437-E443 HydrophobicContact CG2-CB 4.01Å |
| 444 | C | 86 | Confident | 75.4 | Confident | 18 Ų | 18 | 65.3 Ų | 65.3 | 12% | 0.122 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 141 | -171.8 | -55.9 | 0 | 0 | 0 | 0 | 112.4 | C430 I433 L452 G456 | C430-C444 WeakPolarHBondContact CA-SG 3.48Å; C430-C444 HydrophobicContact CB-CB 3.58Å; C430-C444 WeakPolarHBondContact CB-SG 3.01Å; C430-C444 WeakPolarHBondContact SG-CA 3.36Å; C430-C444 WeakPolarHBondContact SG-CB 3.47Å; C430-C444 CovalentContact SG-SG 2.03Å; C430-C444 PolarHBondContact SG-SG 3.22Å; I433-C444 WeakPolarHBondContact O-CA 3.21Å; C444-L452 HydrophobicContact CB-CD1 4.21Å; C444-G456 VanDerWaalsContact CB-O 3.23Å; C444-G456 WeakPolarHBondContact CB-O 3.21Å; C444-G456 PolarHBondContact SG-O 3.13Å |
| 445 | S | 85.1 | Confident | 74.7 | Confident | 49 Ų | 49 | 68.2 Ų | 68.2 | 34% | 0.343 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 162.5 | 171.4 | 53.7 | 0 | 0 | 0 | 0 | 111.2 | I433 | I433-S445 WeakPolarHBondContact CB-O 3.44Å; I433-S445 WeakPolarHBondContact CB-OG 3.42Å; I433-S445 WeakPolarHBondContact CG2-OG 3.35Å; I433-S445 PolarHBondContact N-O 2.02Å; I433-S445 PolarHBondContact O-N 2.9Å |
| 446 | C | 85.7 | Confident | 74.6 | Confident | 31 Ų | 31 | 67.7 Ų | 67.7 | 21% | 0.209 | 41% | 0.41 | C | S | . | . | trans | -110 | 141.8 | -174.7 | -59.5 | 0 | 0 | 0 | 0 | 112 | L452 C459 | C446-L452 VanDerWaalsContact SG-CA 3.58Å; C446-C459 WeakPolarHBondContact CA-SG 3.44Å; C446-C459 HydrophobicContact CB-CB 3.84Å; C446-C459 WeakPolarHBondContact CB-SG 3.01Å; C446-C459 WeakPolarHBondContact SG-CB 3.49Å; C446-C459 CovalentContact SG-SG 2.03Å; C446-C459 PolarHBondContact SG-SG 3.1Å | ||
| 447 | S | 82 | Confident | 75.3 | Confident | 42 Ų | 42 | 67.9 Ų | 67.9 | 29% | 0.294 | 41% | 0.411 | S | S | . | . | trans | -51.8 | 149.7 | 161.6 | -51.6 | 0 | 0 | 0 | 0 | 111.2 | Y450 | S447-Y450 PolarHBondContact O-N 3.32Š| ||
| 448 | P | 77.8 | Confident | 76.1 | Confident | 124 Ų | 124 | 69.6 Ų | 69.6 | 81% | 0.805 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 145 | 169.7 | -25.2 | 34.9 | 0 | 0 | 0 | 111.8 | Y450 | P448-Y450 WeakPolarHBondContact O-CD2 3.23Š|
| 449 | G | 78.7 | Confident | 77.5 | Confident | 16 Ų | 16 | 61.8 Ų | 61.8 | 17% | 0.165 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88 | 3.4 | -173 | 0 | 0 | 0 | 0 | 0 | 114.8 | R462 | G449-R462 WeakPolarHBondContact O-CB 3.26Å; G449-R462 PolarHBondContact O-N 2.84Å |
| 450 | Y | 87.1 | Confident | 79 | Confident | 52 Ų | 52 | 59.1 Ų | 59.1 | 20% | 0.204 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 148.8 | -177.5 | -62.4 | -103.4 | 0 | 0 | 0 | 112.9 | H432 S447 P448 S460 D461 P483 G484 | H432-Y450 AromaticContact CE1-CD1 3.35Å; H432-Y450 WeakPolarHBondContact CE1-CD1 3.31Å; H432-Y450 AromaticContact CE1-CD2 3.53Å; H432-Y450 AromaticContact CE1-CE1 3.5Å; H432-Y450 AromaticContact CE1-CE2 3.67Å; H432-Y450 AromaticContact CE1-CG 3.39Å; H432-Y450 AromaticContact CE1-CZ 3.67Å; H432-Y450 AromaticContact ND1-CG 3.87Å; S447-Y450 PolarHBondContact O-N 3.32Å; P448-Y450 WeakPolarHBondContact O-CD2 3.23Å; Y450-S460 CarbonylContact C-O 3.56Å; Y450-S460 WeakPolarHBondContact CA-O 3.27Å; Y450-S460 WeakPolarHBondContact CB-O 3.06Å; Y450-S460 VanDerWaalsContact CD1-C 3.48Å; Y450-D461 HydrophobicContact CD1-CB 4.32Å; Y450-D461 HydrophobicContact CE1-CB 4.15Å; Y450-P483 PolarHBondContact OH-O 3.45Å; Y450-G484 PolarHBondContact OH-N 2.87Å |
| 451 | D | 82.7 | Confident | 80.3 | Confident | 60 Ų | 60 | 60.7 Ų | 60.7 | 32% | 0.321 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 138.3 | 177.4 | -78.2 | -62.1 | 0 | 0 | 0 | 112.2 | C459 S460 R462 | D451-C459 WeakPolarHBondContact O-CA 3.46Å; D451-S460 PolarHBondContact N-O 3.43Å; D451-S460 PolarHBondContact O-N 3.1Å; D451-S460 PolarHBondContact O-OG 3.09Å; D451-R462 VanDerWaalsContact CG-NH2 3.33Å; D451-R462 IonicContact OD1-CZ 2.67Å; D451-R462 IonicContact OD1-NE 3.69Å; D451-R462 IonicContact OD1-NH2 2.64Å; D451-R462 PolarHBondContact OD1-NH2 2.93Å; D451-R462 IonicContact OD2-CZ 2.73Å; D451-R462 IonicContact OD2-NE 2.65Å; D451-R462 PolarHBondContact OD2-NE 3.03Å; D451-R462 IonicContact OD2-NH2 2.69Å; D451-R462 PolarHBondContact OD2-NH2 2.6Å; D451-R462 VanDerWaalsContact OD2-NH2 3.12Å |
| 452 | L | 82.5 | Confident | 81.1 | Confident | 75 Ų | 75 | 60.7 Ų | 60.7 | 39% | 0.393 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 126.5 | 178.8 | -168.5 | 70.7 | 0 | 0 | 0 | 110.8 | C444 C446 | C444-L452 HydrophobicContact CB-CD1 4.21Å; C446-L452 VanDerWaalsContact SG-CA 3.58Å |
| 453 | Q | 82.7 | Confident | 81.8 | Confident | 92 Ų | 92 | 61.4 Ų | 61.4 | 43% | 0.43 | 36% | 0.355 | S | S | . | . | trans | -78.9 | 168.4 | -176.8 | -69.9 | -63.5 | -35.7 | 0 | 0 | 113.3 | D455 G456 T458 S460 | Q453-D455 PolarHBondContact O-N 3.46Å; Q453-G456 PolarHBondContact O-N 2.82Å; Q453-T458 VanDerWaalsContact CB-O 3.25Å; Q453-T458 WeakPolarHBondContact CB-O 3.47Å; Q453-T458 HydrophobicContact CG-CG2 4.28Å; Q453-T458 WeakPolarHBondContact CG-O 3.41Å; Q453-T458 PolarHBondContact N-O 3.35Å; Q453-S460 PolarHBondContact NE2-OG 3.44Å | ||
| 454 | A | 74.8 | Confident | 82 | Confident | 111 Ų | 111 | 59.1 Ų | 59.1 | 92% | 0.917 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -3.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | G456 | A454-G456 VanDerWaalsContact C-N 3.32Š|
| 455 | D | 69.1 | Low | 81.9 | Confident | 82 Ų | 82 | 60.2 Ų | 60.2 | 44% | 0.439 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -8.9 | 169 | 65.9 | -7.9 | 0 | 0 | 0 | 113 | Q453 R457 T458 | Q453-D455 PolarHBondContact O-N 3.46Å; D455-R457 VanDerWaalsContact C-N 3.25Å; D455-R457 HydrophobicContact CB-CB 4.5Å; D455-R457 PolarHBondContact O-N 3.38Å; D455-R457 PolarHBondContact OD1-N 3Å; D455-T458 PolarHBondContact OD1-N 3.31Å; D455-T458 VanDerWaalsContact OD2-CB 3.27Å; D455-T458 WeakPolarHBondContact OD2-CB 3.03Å; D455-T458 PolarHBondContact OD2-N 2.86Å; D455-T458 PolarHBondContact OD2-OG1 2.81Å |
| 456 | G | 77.1 | Confident | 81.8 | Confident | 38 Ų | 38 | 63.5 Ų | 63.5 | 39% | 0.392 | 37% | 0.37 | S | S | . | . | S | Bend | trans | 67.7 | 22.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | C444 Q453 A454 | C444-G456 VanDerWaalsContact CB-O 3.23Å; C444-G456 WeakPolarHBondContact CB-O 3.21Å; C444-G456 PolarHBondContact SG-O 3.13Å; Q453-G456 PolarHBondContact O-N 2.82Å; A454-G456 VanDerWaalsContact C-N 3.32Å |
| 457 | R | 81.5 | Confident | 81.3 | Confident | 129 Ų | 129 | 66.7 Ų | 66.7 | 49% | 0.487 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -143 | -43.6 | -167.6 | -79.2 | -179.8 | 177.1 | -143.6 | -8.6 | 114.6 | G429 T431 D455 | G429-R457 VanDerWaalsContact O-CB 3.24Å; G429-R457 WeakPolarHBondContact O-CB 3.4Å; G429-R457 WeakPolarHBondContact O-CD 3.03Å; G429-R457 VanDerWaalsContact O-CG 3.28Å; G429-R457 WeakPolarHBondContact O-CG 3.4Å; T431-R457 PolarHBondContact N-O 2.79Å; D455-R457 VanDerWaalsContact C-N 3.25Å; D455-R457 HydrophobicContact CB-CB 4.5Å; D455-R457 PolarHBondContact O-N 3.38Å; D455-R457 PolarHBondContact OD1-N 3Å |
| 458 | T | 83.5 | Confident | 80.7 | Confident | 59 Ų | 59 | 67.6 Ų | 67.6 | 36% | 0.362 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -88.3 | 124.4 | -175 | -60.6 | 0 | 0 | 0 | 0 | 110.7 | T431 Q453 D455 | T431-T458 HydrophobicContact CG2-CG2 4.32Å; Q453-T458 VanDerWaalsContact CB-O 3.25Å; Q453-T458 WeakPolarHBondContact CB-O 3.47Å; Q453-T458 HydrophobicContact CG-CG2 4.28Å; Q453-T458 WeakPolarHBondContact CG-O 3.41Å; Q453-T458 PolarHBondContact N-O 3.35Å; D455-T458 PolarHBondContact OD1-N 3.31Å; D455-T458 VanDerWaalsContact OD2-CB 3.27Å; D455-T458 WeakPolarHBondContact OD2-CB 3.03Å; D455-T458 PolarHBondContact OD2-N 2.86Å; D455-T458 PolarHBondContact OD2-OG1 2.81Å |
| 459 | C | 87.3 | Confident | 80.6 | Confident | 13 Ų | 13 | 64.6 Ų | 64.6 | 9% | 0.088 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 119.5 | 168.6 | -60.9 | 0 | 0 | 0 | 0 | 109.7 | T431 H432 C446 D451 | T431-C459 VanDerWaalsContact OG1-CB 3.3Å; T431-C459 WeakPolarHBondContact OG1-CB 3.37Å; T431-C459 PolarHBondContact OG1-N 2.78Å; H432-C459 HydrophobicContact CB-CB 4.43Å; H432-C459 WeakPolarHBondContact ND1-CB 3.12Å; C446-C459 WeakPolarHBondContact CA-SG 3.44Å; C446-C459 HydrophobicContact CB-CB 3.84Å; C446-C459 WeakPolarHBondContact CB-SG 3.01Å; C446-C459 WeakPolarHBondContact SG-CB 3.49Å; C446-C459 CovalentContact SG-SG 2.03Å; C446-C459 PolarHBondContact SG-SG 3.1Å; D451-C459 WeakPolarHBondContact O-CA 3.46Å |
| 460 | S | 83 | Confident | 80.3 | Confident | 40 Ų | 40 | 64.8 Ų | 64.8 | 28% | 0.28 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 145 | 172.2 | 60.7 | 0 | 0 | 0 | 0 | 110.9 | Y450 D451 Q453 | Y450-S460 CarbonylContact C-O 3.56Å; Y450-S460 WeakPolarHBondContact CA-O 3.27Å; Y450-S460 WeakPolarHBondContact CB-O 3.06Å; Y450-S460 VanDerWaalsContact CD1-C 3.48Å; D451-S460 PolarHBondContact N-O 3.43Å; D451-S460 PolarHBondContact O-N 3.1Å; D451-S460 PolarHBondContact O-OG 3.09Å; Q453-S460 PolarHBondContact NE2-OG 3.44Å |
| 461 | D | 83.3 | Confident | 79.9 | Confident | 54 Ų | 54 | 67.2 Ų | 67.2 | 29% | 0.289 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.3 | 141 | 170.9 | -178 | 57.5 | 0 | 0 | 0 | 111.9 | Y450 N481 P483 G484 | Y450-D461 HydrophobicContact CD1-CB 4.32Å; Y450-D461 HydrophobicContact CE1-CB 4.15Å; D461-N481 PolarHBondContact OD2-ND2 2.81Å; D461-P483 WeakPolarHBondContact OD1-CA 3.28Å; D461-G484 PolarHBondContact OD1-N 3.45Å |
| 462 | R | 82.5 | Confident | 79.8 | Confident | 76 Ų | 76 | 65.8 Ų | 65.8 | 29% | 0.287 | 38% | 0.381 | S | S | . | . | trans | -104.2 | 96.7 | 175.7 | 179.8 | -169.7 | -79.2 | -155.4 | 1.9 | 109.3 | G449 D451 E464 I467 E469 | G449-R462 WeakPolarHBondContact O-CB 3.26Å; G449-R462 PolarHBondContact O-N 2.84Å; D451-R462 VanDerWaalsContact CG-NH2 3.33Å; D451-R462 IonicContact OD1-CZ 2.67Å; D451-R462 IonicContact OD1-NE 3.69Å; D451-R462 IonicContact OD1-NH2 2.64Å; D451-R462 PolarHBondContact OD1-NH2 2.93Å; D451-R462 IonicContact OD2-CZ 2.73Å; D451-R462 IonicContact OD2-NE 2.65Å; D451-R462 PolarHBondContact OD2-NE 3.03Å; D451-R462 IonicContact OD2-NH2 2.69Å; D451-R462 PolarHBondContact OD2-NH2 2.6Å; D451-R462 VanDerWaalsContact OD2-NH2 3.12Å; R462-E464 HydrophobicContact CG-CG 4.4Å; R462-E464 WeakPolarHBondContact O-CG 3.41Å; R462-E464 PolarHBondContact O-N 3.05Å; R462-I467 HydrophobicContact CG-CD1 3.5Å; R462-I467 VanDerWaalsContact CG-CD1 3.5Å; R462-E469 IonicContact CZ-OE2 3.9Å; R462-E469 IonicContact NH1-OE2 3.44Å; R462-E469 PolarHBondContact NH1-OE2 3.33Å | ||
| 463 | D | 83.2 | Confident | 79.6 | Confident | 50 Ų | 50 | 67.8 Ų | 67.8 | 27% | 0.267 | 38% | 0.384 | S | S | . | . | trans | -63.7 | 94.8 | 175.8 | -171.3 | -33.6 | 0 | 0 | 0 | 111.9 | C465 V466 I467 | D463-C465 VanDerWaalsContact C-N 3.25Å; D463-C465 PolarHBondContact O-N 2.86Å; D463-C465 WeakPolarHBondContact OD1-CA 3.47Å; D463-C465 WeakPolarHBondContact OD1-CB 3.3Å; D463-C465 PolarHBondContact OD1-N 2.04Å; D463-C465 VanDerWaalsContact OD1-N 3.08Å; D463-V466 HydrophobicContact CB-CB 4.18Å; D463-V466 HydrophobicContact CB-CG2 4.41Å; D463-V466 VanDerWaalsContact CG-CG2 3.49Å; D463-V466 PolarHBondContact O-N 3.02Å; D463-V466 PolarHBondContact OD1-N 2.85Å; D463-V466 VanDerWaalsContact OD2-CG2 3.32Å; D463-V466 WeakPolarHBondContact OD2-CG2 3.49Å; D463-I467 WeakPolarHBondContact O-CB 3.03Å; D463-I467 WeakPolarHBondContact O-CD1 3.37Å; D463-I467 VanDerWaalsContact O-CG1 3.27Å; D463-I467 WeakPolarHBondContact O-CG1 3.24Å; D463-I467 PolarHBondContact O-N 3.45Å | ||
| 464 | E | 85.9 | Confident | 79.2 | Confident | 30 Ų | 30 | 66.3 Ų | 66.3 | 14% | 0.14 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -72.4 | -20.2 | -177.1 | -67.4 | 133.9 | 137.5 | 0 | 0 | 112.6 | R462 G468 E469 A470 Y486 | R462-E464 HydrophobicContact CG-CG 4.4Å; R462-E464 WeakPolarHBondContact O-CG 3.41Å; R462-E464 PolarHBondContact O-N 3.05Å; E464-G468 WeakPolarHBondContact O-CA 3.43Å; E464-G468 PolarHBondContact O-N 3.08Å; E464-E469 HydrophobicContact CB-CB 4.4Å; E464-E469 HydrophobicContact CG-CB 4.36Å; E464-E469 PolarHBondContact O-N 3.33Å; E464-A470 HydrophobicContact CB-CB 4.05Å; E464-A470 WeakPolarHBondContact O-CB 3.38Å; E464-A470 PolarHBondContact O-N 3.33Å; E464-Y486 HydrophobicContact CB-CD1 3.78Å; E464-Y486 HydrophobicContact CB-CE1 4.31Å; E464-Y486 HydrophobicContact CB-CG 4.42Å; E464-Y486 HydrophobicContact CG-CD1 4.25Å; E464-Y486 WeakPolarHBondContact OE2-CD1 3.49Å |
| 465 | C | 85.2 | Confident | 79 | Confident | 41 Ų | 41 | 68 Ų | 68 | 28% | 0.277 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -71.7 | -40.4 | 173.3 | -61.6 | 0 | 0 | 0 | 0 | 111.3 | D463 C479 | D463-C465 VanDerWaalsContact C-N 3.25Å; D463-C465 PolarHBondContact O-N 2.86Å; D463-C465 WeakPolarHBondContact OD1-CA 3.47Å; D463-C465 WeakPolarHBondContact OD1-CB 3.3Å; D463-C465 PolarHBondContact OD1-N 2.04Å; D463-C465 VanDerWaalsContact OD1-N 3.08Å; C465-C479 VanDerWaalsContact CA-SG 3.55Å; C465-C479 HydrophobicContact CB-CB 3.86Å; C465-C479 WeakPolarHBondContact CB-SG 3.03Å; C465-C479 WeakPolarHBondContact SG-CB 3.29Å; C465-C479 CovalentContact SG-SG 2.04Å; C465-C479 PolarHBondContact SG-SG 2.91Å |
| 466 | V | 81.5 | Confident | 79.3 | Confident | 118 Ų | 118 | 64.7 Ų | 64.7 | 72% | 0.715 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -77.5 | -37.8 | 177.2 | 170.6 | 0 | 0 | 0 | 0 | 112.1 | D463 G468 | D463-V466 HydrophobicContact CB-CB 4.18Å; D463-V466 HydrophobicContact CB-CG2 4.41Å; D463-V466 VanDerWaalsContact CG-CG2 3.49Å; D463-V466 PolarHBondContact O-N 3.02Å; D463-V466 PolarHBondContact OD1-N 2.85Å; D463-V466 VanDerWaalsContact OD2-CG2 3.32Å; D463-V466 WeakPolarHBondContact OD2-CG2 3.49Å; V466-G468 VanDerWaalsContact C-N 3.33Å |
| 467 | I | 76.5 | Confident | 79.5 | Confident | 99 Ų | 99 | 64.4 Ų | 64.4 | 51% | 0.508 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -78.8 | -20.5 | -179.6 | -61.4 | 164.2 | 0 | 0 | 0 | 111.5 | R462 D463 E469 | R462-I467 HydrophobicContact CG-CD1 3.5Å; R462-I467 VanDerWaalsContact CG-CD1 3.5Å; D463-I467 WeakPolarHBondContact O-CB 3.03Å; D463-I467 WeakPolarHBondContact O-CD1 3.37Å; D463-I467 VanDerWaalsContact O-CG1 3.27Å; D463-I467 WeakPolarHBondContact O-CG1 3.24Å; D463-I467 PolarHBondContact O-N 3.45Å; I467-E469 HydrophobicContact CG2-CG 3.98Å |
| 468 | G | 69.9 | Low | 79.6 | Confident | 61 Ų | 61 | 61.5 Ų | 61.5 | 63% | 0.629 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80 | 22.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | E464 V466 | E464-G468 WeakPolarHBondContact O-CA 3.43Å; E464-G468 PolarHBondContact O-N 3.08Å; V466-G468 VanDerWaalsContact C-N 3.33Å |
| 469 | E | 74.7 | Confident | 79.8 | Confident | 60 Ų | 60 | 61 Ų | 61 | 28% | 0.28 | 35% | 0.349 | S | S | . | . | trans | -87.9 | -12.8 | 169.4 | -57.6 | -148.6 | 112.1 | 0 | 0 | 112.3 | R462 E464 I467 R1473 | R462-E469 IonicContact CZ-OE2 3.9Å; R462-E469 IonicContact NH1-OE2 3.44Å; R462-E469 PolarHBondContact NH1-OE2 3.33Å; E464-E469 HydrophobicContact CB-CB 4.4Å; E464-E469 HydrophobicContact CG-CB 4.36Å; E464-E469 PolarHBondContact O-N 3.33Å; I467-E469 HydrophobicContact CG2-CG 3.98Å; E469-R1473 VanDerWaalsContact CD-NH2 3.34Å; E469-R1473 IonicContact OE1-CZ 2.7Å; E469-R1473 IonicContact OE1-NH1 2.66Å; E469-R1473 PolarHBondContact OE1-NH1 2.98Å; E469-R1473 IonicContact OE1-NH2 2.62Å; E469-R1473 PolarHBondContact OE1-NH2 3.13Å; E469-R1473 IonicContact OE2-NH2 3.11Å; E469-R1473 PolarHBondContact OE2-NH2 3.38Å | ||
| 470 | A | 73.1 | Confident | 79.7 | Confident | 21 Ų | 21 | 62.5 Ų | 62.5 | 17% | 0.174 | 36% | 0.356 | C | S | . | . | trans | -66.4 | 132.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | E464 C472 C479 Y486 | E464-A470 HydrophobicContact CB-CB 4.05Å; E464-A470 WeakPolarHBondContact O-CB 3.38Å; E464-A470 PolarHBondContact O-N 3.33Å; A470-C472 VanDerWaalsContact C-N 3.32Å; A470-C472 PolarHBondContact O-N 2.99Å; A470-C479 WeakPolarHBondContact CB-SG 3.38Å; A470-Y486 HydrophobicContact CB-CD1 4.12Å; A470-Y486 HydrophobicContact CB-CD2 3.66Å; A470-Y486 HydrophobicContact CB-CE1 4.24Å; A470-Y486 HydrophobicContact CB-CE2 3.81Å; A470-Y486 HydrophobicContact CB-CG 3.83Å | ||
| 471 | K | 79.3 | Confident | 79.6 | Confident | 103 Ų | 103 | 62.8 Ų | 62.8 | 45% | 0.448 | 35% | 0.354 | S | S | . | . | trans | -88.1 | 16 | -172.7 | -62.7 | 166.6 | -165.8 | 140.9 | 0 | 114.2 | Y473 Y486 H501 | K471-Y473 WeakPolarHBondContact O-CD1 3.34Å; K471-Y473 WeakPolarHBondContact O-CE1 3Å; K471-Y473 PolarHBondContact O-N 2.96Å; K471-Y486 WeakPolarHBondContact CB-OH 3.2Å; K471-Y486 WeakPolarHBondContact CD-OH 3.15Å; K471-Y486 VanDerWaalsContact CG-OH 3.32Å; K471-Y486 WeakPolarHBondContact CG-OH 3.46Å; K471-Y486 PolarHBondContact N-OH 3.18Å; K471-Y486 VanDerWaalsContact N-OH 3.09Å; K471-H501 VanDerWaalsContact CD-NE2 3.3Å; K471-H501 WeakPolarHBondContact CD-NE2 3.11Å; K471-H501 WeakPolarHBondContact O-CB 3.21Å | ||
| 472 | C | 80.4 | Confident | 79.4 | Confident | 29 Ų | 29 | 63.4 Ų | 63.4 | 20% | 0.196 | 36% | 0.355 | C | S | . | . | trans | -68.9 | 119 | 178.9 | -50.4 | 0 | 0 | 0 | 0 | 110.1 | A470 V477 C479 C488 H501 | A470-C472 VanDerWaalsContact C-N 3.32Å; A470-C472 PolarHBondContact O-N 2.99Å; C472-V477 HydrophobicContact CB-CG1 4.23Å; C472-V477 HydrophobicContact CB-CG2 3.82Å; C472-C479 HydrophobicContact CB-CB 4.45Å; C472-C488 WeakPolarHBondContact CA-SG 3.02Å; C472-C488 HydrophobicContact CB-CB 3.93Å; C472-C488 WeakPolarHBondContact CB-SG 3.32Å; C472-C488 VanDerWaalsContact SG-CA 3.53Å; C472-C488 WeakPolarHBondContact SG-CB 3Å; C472-C488 CovalentContact SG-SG 2.04Å; C472-C488 PolarHBondContact SG-SG 3.43Å; C472-H501 CarbonylContact C-O 3.49Å; C472-H501 WeakPolarHBondContact CA-O 3.48Å | ||
| 473 | Y | 78.2 | Confident | 79.3 | Confident | 117 Ų | 117 | 65 Ų | 65 | 46% | 0.459 | 38% | 0.376 | S | S | . | . | trans | -140.3 | 148.8 | -177.6 | 56.4 | -110.1 | 0 | 0 | 0 | 112.7 | K471 D499 H501 S502 | K471-Y473 WeakPolarHBondContact O-CD1 3.34Å; K471-Y473 WeakPolarHBondContact O-CE1 3Å; K471-Y473 PolarHBondContact O-N 2.96Å; Y473-D499 WeakPolarHBondContact CE2-OD2 3.24Å; Y473-D499 PolarHBondContact OH-OD2 3.1Å; Y473-H501 HydrophobicContact CD1-CB 4.28Å; Y473-H501 HydrophobicContact CE1-CB 3.68Å; Y473-H501 HydrophobicContact CE2-CB 4.39Å; Y473-H501 PolarHBondContact N-O 3.1Å; Y473-S502 WeakPolarHBondContact O-CA 3.49Å; Y473-S502 WeakPolarHBondContact O-CB 3.23Å | ||
| 474 | G | 73.1 | Confident | 78.8 | Confident | 62 Ų | 62 | 63.5 Ų | 63.5 | 64% | 0.639 | 37% | 0.372 | S | S | * | . | S | Bend | trans | 115.8 | -172.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 475 | Q | 71.6 | Confident | 78.6 | Confident | 145 Ų | 145 | 65.3 Ų | 65.3 | 68% | 0.678 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -77.5 | 159.9 | 168.7 | -94.2 | 171.7 | -68.3 | 0 | 0 | 110.7 | V477 | Q475-V477 PolarHBondContact O-N 3.16Š|
| 476 | A | 75.8 | Confident | 78.7 | Confident | 13 Ų | 13 | 65 Ų | 65 | 11% | 0.107 | 38% | 0.379 | C | S | . | . | S | Bend | trans | 59.4 | 5.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | Q491 F494 C503 | A476-Q491 HydrophobicContact CB-CB 4.16Å; A476-Q491 WeakPolarHBondContact O-CG 3.42Å; A476-Q491 PolarHBondContact O-N 3.31Å; A476-F494 HydrophobicContact CB-CB 4.13Å; A476-F494 HydrophobicContact CB-CD1 3.7Å; A476-F494 HydrophobicContact CB-CD2 3.29Å; A476-F494 HydrophobicContact CB-CE1 3.86Å; A476-F494 HydrophobicContact CB-CE2 3.45Å; A476-F494 VanDerWaalsContact CB-CE2 3.45Å; A476-F494 HydrophobicContact CB-CG 3.43Å; A476-F494 VanDerWaalsContact CB-CG 3.43Å; A476-F494 HydrophobicContact CB-CZ 3.74Å; A476-C503 HydrophobicContact CB-CB 4.26Å |
| 477 | V | 80.9 | Confident | 78.9 | Confident | 32 Ų | 32 | 64.2 Ų | 64.2 | 19% | 0.194 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 141.4 | -179.7 | 74.4 | 0 | 0 | 0 | 0 | 112.7 | C472 Q475 C488 E489 | C472-V477 HydrophobicContact CB-CG1 4.23Å; C472-V477 HydrophobicContact CB-CG2 3.82Å; Q475-V477 PolarHBondContact O-N 3.16Å; V477-C488 HydrophobicContact CG2-CB 3.81Å; V477-E489 CarbonylContact C-O 3.44Å; V477-E489 WeakPolarHBondContact CA-O 3.35Å |
| 478 | I | 83.6 | Confident | 79.4 | Confident | 69 Ų | 69 | 60.1 Ų | 60.1 | 35% | 0.354 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 132.7 | 178.2 | -57.3 | 174.7 | 0 | 0 | 0 | 107.8 | I480 C488 E489 Q491 | I478-I480 HydrophobicContact CG2-CG1 4.1Å; I478-C488 CarbonylContact O-C 3.27Å; I478-C488 WeakPolarHBondContact O-CA 3.28Å; I478-E489 HydrophobicContact CB-CB 4.49Å; I478-E489 PolarHBondContact N-O 3.29Å; I478-E489 PolarHBondContact O-N 2.04Å; I478-Q491 HydrophobicContact CD1-CG 3.89Å; I478-Q491 HydrophobicContact CG1-CG 4.2Å |
| 479 | C | 87.4 | Confident | 80 | Confident | 47 Ų | 47 | 61.2 Ų | 61.2 | 32% | 0.318 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 131.4 | 173.2 | -166.9 | 0 | 0 | 0 | 0 | 109.8 | C465 A470 C472 | C465-C479 VanDerWaalsContact CA-SG 3.55Å; C465-C479 HydrophobicContact CB-CB 3.86Å; C465-C479 WeakPolarHBondContact CB-SG 3.03Å; C465-C479 WeakPolarHBondContact SG-CB 3.29Å; C465-C479 CovalentContact SG-SG 2.04Å; C465-C479 PolarHBondContact SG-SG 2.91Å; A470-C479 WeakPolarHBondContact CB-SG 3.38Å; C472-C479 HydrophobicContact CB-CB 4.45Å |
| 480 | I | 84 | Confident | 80.5 | Confident | 45 Ų | 45 | 59.7 Ų | 59.7 | 23% | 0.231 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 120 | 178 | -57.8 | 176.7 | 0 | 0 | 0 | 108.6 | I478 Y486 R487 E489 | I478-I480 HydrophobicContact CG2-CG1 4.1Å; I480-Y486 WeakPolarHBondContact O-CA 3.02Å; I480-R487 HydrophobicContact CB-CG 4.02Å; I480-R487 VanDerWaalsContact CD1-NH2 3.35Å; I480-R487 PolarHBondContact N-O 3.19Å; I480-R487 PolarHBondContact O-N 2.73Å; I480-E489 HydrophobicContact CD1-CB 3.88Å; I480-E489 HydrophobicContact CD1-CG 4.42Å; I480-E489 VanDerWaalsContact CD1-OE2 3.31Å; I480-E489 WeakPolarHBondContact CD1-OE2 3.45Å |
| 481 | N | 82 | Confident | 80.8 | Confident | 46 Ų | 46 | 63.7 Ų | 63.7 | 25% | 0.246 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 139 | 176.3 | -170 | 50.1 | 0 | 0 | 0 | 110.8 | D461 T485 | D461-N481 PolarHBondContact OD2-ND2 2.81Å; N481-T485 PolarHBondContact OD1-O 3.25Å |
| 482 | E | 79.3 | Confident | 80.6 | Confident | 67 Ų | 67 | 65.6 Ų | 65.6 | 31% | 0.313 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 143.2 | 177.9 | -59.9 | -174.7 | 140.8 | 0 | 0 | 108.3 | G484 T485 R487 | E482-G484 PolarHBondContact O-N 2.77Å; E482-T485 CarbonylContact C-O 3.36Å; E482-T485 HydrophobicContact CB-CG2 3.94Å; E482-T485 PolarHBondContact N-O 2.89Å; E482-T485 CarbonylContact O-C 3.49Å; E482-T485 PolarHBondContact O-N 2.86Å; E482-R487 WeakPolarHBondContact OE1-CD 3.15Å; E482-R487 IonicContact OE1-CZ 3.08Å; E482-R487 IonicContact OE1-NE 3.9Å; E482-R487 IonicContact OE1-NH1 3.35Å; E482-R487 PolarHBondContact OE1-NH1 3.38Å |
| 483 | P | 78.7 | Confident | 80.4 | Confident | 110 Ų | 110 | 64.7 Ų | 64.7 | 71% | 0.714 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 101.9 | -172.9 | -30.2 | 37.4 | 0 | 0 | 0 | 114.8 | Y450 D461 | Y450-P483 PolarHBondContact OH-O 3.45Å; D461-P483 WeakPolarHBondContact OD1-CA 3.28Å |
| 484 | G | 74 | Confident | 80.8 | Confident | 19 Ų | 19 | 60.7 Ų | 60.7 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95.4 | 6.5 | -176 | 0 | 0 | 0 | 0 | 0 | 117.4 | Y450 D461 E482 | Y450-G484 PolarHBondContact OH-N 2.87Å; D461-G484 PolarHBondContact OD1-N 3.45Å; E482-G484 PolarHBondContact O-N 2.77Å |
| 485 | T | 82.3 | Confident | 81.3 | Confident | 68 Ų | 68 | 63.3 Ų | 63.3 | 42% | 0.417 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.4 | 177.5 | 178.2 | -167.1 | 0 | 0 | 0 | 0 | 112.2 | N481 E482 | N481-T485 PolarHBondContact OD1-O 3.25Å; E482-T485 CarbonylContact C-O 3.36Å; E482-T485 HydrophobicContact CB-CG2 3.94Å; E482-T485 PolarHBondContact N-O 2.89Å; E482-T485 CarbonylContact O-C 3.49Å; E482-T485 PolarHBondContact O-N 2.86Å |
| 486 | Y | 86 | Confident | 81.7 | Confident | 35 Ų | 35 | 60.5 Ų | 60.5 | 14% | 0.137 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 156 | 166.9 | 65.8 | -80.9 | 0 | 0 | 0 | 111 | E464 A470 K471 I480 | E464-Y486 HydrophobicContact CB-CD1 3.78Å; E464-Y486 HydrophobicContact CB-CE1 4.31Å; E464-Y486 HydrophobicContact CB-CG 4.42Å; E464-Y486 HydrophobicContact CG-CD1 4.25Å; E464-Y486 WeakPolarHBondContact OE2-CD1 3.49Å; A470-Y486 HydrophobicContact CB-CD1 4.12Å; A470-Y486 HydrophobicContact CB-CD2 3.66Å; A470-Y486 HydrophobicContact CB-CE1 4.24Å; A470-Y486 HydrophobicContact CB-CE2 3.81Å; A470-Y486 HydrophobicContact CB-CG 3.83Å; K471-Y486 WeakPolarHBondContact CB-OH 3.2Å; K471-Y486 WeakPolarHBondContact CD-OH 3.15Å; K471-Y486 VanDerWaalsContact CG-OH 3.32Å; K471-Y486 WeakPolarHBondContact CG-OH 3.46Å; K471-Y486 PolarHBondContact N-OH 3.18Å; K471-Y486 VanDerWaalsContact N-OH 3.09Å; I480-Y486 WeakPolarHBondContact O-CA 3.02Å |
| 487 | R | 86.2 | Confident | 81.7 | Confident | 100 Ų | 100 | 61.1 Ų | 61.1 | 38% | 0.377 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 150.5 | 166.6 | 72.1 | 175.5 | -160.1 | -95.3 | -2.4 | 111.2 | I480 E482 E489 | I480-R487 HydrophobicContact CB-CG 4.02Å; I480-R487 VanDerWaalsContact CD1-NH2 3.35Å; I480-R487 PolarHBondContact N-O 3.19Å; I480-R487 PolarHBondContact O-N 2.73Å; E482-R487 WeakPolarHBondContact OE1-CD 3.15Å; E482-R487 IonicContact OE1-CZ 3.08Å; E482-R487 IonicContact OE1-NE 3.9Å; E482-R487 IonicContact OE1-NH1 3.35Å; E482-R487 PolarHBondContact OE1-NH1 3.38Å; R487-E489 IonicContact CZ-OE2 2.69Å; R487-E489 VanDerWaalsContact CZ-OE2 3.32Å; R487-E489 IonicContact NE-OE2 3.21Å; R487-E489 PolarHBondContact NE-OE2 3.01Å; R487-E489 IonicContact NH2-OE2 3.29Å; R487-E489 PolarHBondContact NH2-OE2 3.18Å |
| 488 | C | 86.4 | Confident | 81.3 | Confident | 13 Ų | 13 | 66 Ų | 66 | 9% | 0.088 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 129.8 | 169.9 | -52.6 | 0 | 0 | 0 | 0 | 108.5 | C472 V477 I478 I496 | C472-C488 WeakPolarHBondContact CA-SG 3.02Å; C472-C488 HydrophobicContact CB-CB 3.93Å; C472-C488 WeakPolarHBondContact CB-SG 3.32Å; C472-C488 VanDerWaalsContact SG-CA 3.53Å; C472-C488 WeakPolarHBondContact SG-CB 3Å; C472-C488 CovalentContact SG-SG 2.04Å; C472-C488 PolarHBondContact SG-SG 3.43Å; V477-C488 HydrophobicContact CG2-CB 3.81Å; I478-C488 CarbonylContact O-C 3.27Å; I478-C488 WeakPolarHBondContact O-CA 3.28Å; C488-I496 WeakPolarHBondContact O-CD1 3.43Å |
| 489 | E | 82.9 | Confident | 80.6 | Confident | 84 Ų | 84 | 65.6 Ų | 65.6 | 39% | 0.393 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 154.1 | 179 | -160.3 | 164.2 | 118.9 | 0 | 0 | 109.4 | V477 I478 I480 R487 | V477-E489 CarbonylContact C-O 3.44Å; V477-E489 WeakPolarHBondContact CA-O 3.35Å; I478-E489 HydrophobicContact CB-CB 4.49Å; I478-E489 PolarHBondContact N-O 3.29Å; I478-E489 PolarHBondContact O-N 2.04Å; I480-E489 HydrophobicContact CD1-CB 3.88Å; I480-E489 HydrophobicContact CD1-CG 4.42Å; I480-E489 VanDerWaalsContact CD1-OE2 3.31Å; I480-E489 WeakPolarHBondContact CD1-OE2 3.45Å; R487-E489 IonicContact CZ-OE2 2.69Å; R487-E489 VanDerWaalsContact CZ-OE2 3.32Å; R487-E489 IonicContact NE-OE2 3.21Å; R487-E489 PolarHBondContact NE-OE2 3.01Å; R487-E489 IonicContact NH2-OE2 3.29Å; R487-E489 PolarHBondContact NH2-OE2 3.18Å |
| 490 | C | 84.3 | Confident | 79.9 | Confident | 29 Ų | 29 | 64.9 Ų | 64.9 | 20% | 0.196 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 144.1 | -176.6 | -64.4 | 0 | 0 | 0 | 0 | 111.6 | F494 C503 | C490-F494 HydrophobicContact CB-CB 4.1Å; C490-F494 WeakPolarHBondContact CB-O 3Å; C490-C503 WeakPolarHBondContact CA-SG 3.18Å; C490-C503 HydrophobicContact CB-CB 3.93Å; C490-C503 WeakPolarHBondContact CB-SG 3.4Å; C490-C503 WeakPolarHBondContact SG-CB 3.25Å; C490-C503 CovalentContact SG-SG 2.04Å; C490-C503 PolarHBondContact SG-SG 3.04Å |
| 491 | Q | 80.4 | Confident | 79.6 | Confident | 105 Ų | 105 | 64.4 Ų | 64.4 | 49% | 0.491 | 35% | 0.354 | S | S | . | . | trans | -65 | 153.7 | 169.2 | -66.5 | 168.8 | 1.8 | 0 | 0 | 110.5 | A476 I478 F494 | A476-Q491 HydrophobicContact CB-CB 4.16Å; A476-Q491 WeakPolarHBondContact O-CG 3.42Å; A476-Q491 PolarHBondContact O-N 3.31Å; I478-Q491 HydrophobicContact CD1-CG 3.89Å; I478-Q491 HydrophobicContact CG1-CG 4.2Å; Q491-F494 WeakPolarHBondContact O-CB 2.95Å; Q491-F494 PolarHBondContact O-N 3.29Å; Q491-F494 VanDerWaalsContact O-N 3.1Å | ||
| 492 | T | 75.3 | Confident | 79.6 | Confident | 143 Ų | 143 | 63.2 Ų | 63.2 | 88% | 0.877 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 140.3 | 176.1 | -43.3 | 0 | 0 | 0 | 0 | 111.1 | ||
| 493 | G | 76.1 | Confident | 79.8 | Confident | 9 Ų | 9 | 60.9 Ų | 60.9 | 9% | 0.093 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.2 | -3.3 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | I506 | G493-I506 PolarHBondContact O-N 3.18Š|
| 494 | F | 86.3 | Confident | 80 | Confident | 33 Ų | 33 | 60.3 Ų | 60.3 | 15% | 0.145 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 142.8 | 178 | -56.9 | -99.3 | 0 | 0 | 0 | 112.2 | A476 C490 Q491 C503 Q504 D505 I524 G525 | A476-F494 HydrophobicContact CB-CB 4.13Å; A476-F494 HydrophobicContact CB-CD1 3.7Å; A476-F494 HydrophobicContact CB-CD2 3.29Å; A476-F494 HydrophobicContact CB-CE1 3.86Å; A476-F494 HydrophobicContact CB-CE2 3.45Å; A476-F494 VanDerWaalsContact CB-CE2 3.45Å; A476-F494 HydrophobicContact CB-CG 3.43Å; A476-F494 VanDerWaalsContact CB-CG 3.43Å; A476-F494 HydrophobicContact CB-CZ 3.74Å; C490-F494 HydrophobicContact CB-CB 4.1Å; C490-F494 WeakPolarHBondContact CB-O 3Å; Q491-F494 WeakPolarHBondContact O-CB 2.95Å; Q491-F494 PolarHBondContact O-N 3.29Å; Q491-F494 VanDerWaalsContact O-N 3.1Å; F494-C503 HydrophobicContact CB-CB 3.97Å; F494-Q504 CarbonylContact C-O 3.59Å; F494-Q504 VanDerWaalsContact CA-O 3.31Å; F494-Q504 WeakPolarHBondContact CA-O 3.38Å; F494-D505 HydrophobicContact CE1-CB 4.5Å; F494-I524 HydrophobicContact CE1-CG2 3.98Å; F494-I524 HydrophobicContact CZ-CG2 3.77Å; F494-G525 VanDerWaalsContact CZ-CA 3.42Å |
| 495 | R | 82.9 | Confident | 80.4 | Confident | 118 Ų | 118 | 61.3 Ų | 61.3 | 45% | 0.445 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 153.5 | 171.5 | 60.6 | 176.7 | 175.3 | -112 | -4.6 | 110.5 | S497 C503 Q504 I506 | R495-S497 PolarHBondContact O-N 2.79Å; R495-C503 CarbonylContact O-C 3.58Å; R495-C503 WeakPolarHBondContact O-CA 3.36Å; R495-Q504 HydrophobicContact CG-CB 4.24Å; R495-Q504 PolarHBondContact N-O 3.4Å; R495-Q504 PolarHBondContact O-N 2.84Å; R495-I506 HydrophobicContact CB-CD1 4.19Å; R495-I506 HydrophobicContact CB-CG1 3.99Å; R495-I506 HydrophobicContact CG-CG1 4.05Å |
| 496 | I | 80.6 | Confident | 80.3 | Confident | 86 Ų | 86 | 60.8 Ų | 60.8 | 44% | 0.441 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 135.1 | 173.5 | -159.5 | 171.3 | 0 | 0 | 0 | 110.4 | C488 | C488-I496 WeakPolarHBondContact O-CD1 3.43Å |
| 497 | S | 75.5 | Confident | 80.2 | Confident | 26 Ų | 26 | 61.8 Ų | 61.8 | 18% | 0.182 | 33% | 0.331 | C | S | . | . | trans | -69.3 | 153.7 | 176.7 | 175.9 | 0 | 0 | 0 | 0 | 110.7 | R495 D499 G500 S502 | R495-S497 PolarHBondContact O-N 2.79Å; S497-D499 WeakPolarHBondContact CB-OD1 3.47Å; S497-D499 PolarHBondContact O-N 2.96Å; S497-D499 PolarHBondContact OG-OD1 2.9Å; S497-G500 PolarHBondContact O-N 3.05Å; S497-S502 WeakPolarHBondContact CB-O 3.46Å; S497-S502 WeakPolarHBondContact CB-OG 3.15Å; S497-S502 PolarHBondContact N-O 2.94Å; S497-S502 PolarHBondContact OG-OG 2.86Å | ||
| 498 | P | 72.5 | Confident | 80.1 | Confident | 134 Ų | 134 | 59.1 Ų | 59.1 | 87% | 0.87 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -7 | 174.6 | -25.6 | 35.5 | 0 | 0 | 0 | 115.8 | ||
| 499 | D | 70.2 | Confident | 80.1 | Confident | 60 Ų | 60 | 59.8 Ų | 59.8 | 32% | 0.321 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -10.3 | 171 | 69.1 | 7.7 | 0 | 0 | 0 | 114.2 | Y473 S497 H501 S502 | Y473-D499 WeakPolarHBondContact CE2-OD2 3.24Å; Y473-D499 PolarHBondContact OH-OD2 3.1Å; S497-D499 WeakPolarHBondContact CB-OD1 3.47Å; S497-D499 PolarHBondContact O-N 2.96Å; S497-D499 PolarHBondContact OG-OD1 2.9Å; D499-H501 PolarHBondContact O-N 3Å; D499-H501 PolarHBondContact OD1-N 2.89Å; D499-S502 VanDerWaalsContact CG-OG 3.27Å; D499-S502 PolarHBondContact OD1-N 2.65Å; D499-S502 PolarHBondContact OD1-OG 3.02Å; D499-S502 VanDerWaalsContact OD1-OG 3.07Å; D499-S502 PolarHBondContact OD2-OG 3.28Å |
| 500 | G | 72.4 | Confident | 80 | Confident | 33 Ų | 33 | 62.9 Ų | 62.9 | 34% | 0.34 | 35% | 0.346 | S | S | . | . | S | Bend | trans | 67.4 | 15.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | S497 | S497-G500 PolarHBondContact O-N 3.05Š|
| 501 | H | 78.1 | Confident | 79.3 | Confident | 35 Ų | 35 | 67.8 Ų | 67.8 | 16% | 0.162 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -137.2 | -24.6 | -166.5 | -71.7 | -13.2 | 0 | 0 | 0 | 113.7 | K471 C472 Y473 D499 | K471-H501 VanDerWaalsContact CD-NE2 3.3Å; K471-H501 WeakPolarHBondContact CD-NE2 3.11Å; K471-H501 WeakPolarHBondContact O-CB 3.21Å; C472-H501 CarbonylContact C-O 3.49Å; C472-H501 WeakPolarHBondContact CA-O 3.48Å; Y473-H501 HydrophobicContact CD1-CB 4.28Å; Y473-H501 HydrophobicContact CE1-CB 3.68Å; Y473-H501 HydrophobicContact CE2-CB 4.39Å; Y473-H501 PolarHBondContact N-O 3.1Å; D499-H501 PolarHBondContact O-N 3Å; D499-H501 PolarHBondContact OD1-N 2.89Å |
| 502 | S | 81.6 | Confident | 79.2 | Confident | 20 Ų | 20 | 69.4 Ų | 69.4 | 14% | 0.14 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -117.7 | 164.3 | 175.3 | 57.7 | 0 | 0 | 0 | 0 | 112.7 | Y473 S497 D499 | Y473-S502 WeakPolarHBondContact O-CA 3.49Å; Y473-S502 WeakPolarHBondContact O-CB 3.23Å; S497-S502 WeakPolarHBondContact CB-O 3.46Å; S497-S502 WeakPolarHBondContact CB-OG 3.15Å; S497-S502 PolarHBondContact N-O 2.94Å; S497-S502 PolarHBondContact OG-OG 2.86Å; D499-S502 VanDerWaalsContact CG-OG 3.27Å; D499-S502 PolarHBondContact OD1-N 2.65Å; D499-S502 PolarHBondContact OD1-OG 3.02Å; D499-S502 VanDerWaalsContact OD1-OG 3.07Å; D499-S502 PolarHBondContact OD2-OG 3.28Å |
| 503 | C | 83.9 | Confident | 79.6 | Confident | 19 Ų | 19 | 65.4 Ų | 65.4 | 13% | 0.128 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 133.8 | 175.1 | -62.8 | 0 | 0 | 0 | 0 | 110 | A476 C490 F494 R495 | A476-C503 HydrophobicContact CB-CB 4.26Å; C490-C503 WeakPolarHBondContact CA-SG 3.18Å; C490-C503 HydrophobicContact CB-CB 3.93Å; C490-C503 WeakPolarHBondContact CB-SG 3.4Å; C490-C503 WeakPolarHBondContact SG-CB 3.25Å; C490-C503 CovalentContact SG-SG 2.04Å; C490-C503 PolarHBondContact SG-SG 3.04Å; F494-C503 HydrophobicContact CB-CB 3.97Å; R495-C503 CarbonylContact O-C 3.58Å; R495-C503 WeakPolarHBondContact O-CA 3.36Å |
| 504 | Q | 82.4 | Confident | 79.3 | Confident | 97 Ų | 97 | 65.3 Ų | 65.3 | 45% | 0.453 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 136.9 | 173.6 | -168.3 | -174.1 | 26.7 | 0 | 0 | 109.6 | F494 R495 | F494-Q504 CarbonylContact C-O 3.59Å; F494-Q504 VanDerWaalsContact CA-O 3.31Å; F494-Q504 WeakPolarHBondContact CA-O 3.38Å; R495-Q504 HydrophobicContact CG-CB 4.24Å; R495-Q504 PolarHBondContact N-O 3.4Å; R495-Q504 PolarHBondContact O-N 2.84Å |
| 505 | D | 82.7 | Confident | 78.9 | Confident | 41 Ų | 41 | 65.1 Ų | 65.1 | 22% | 0.219 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -48.8 | 134.5 | 168.4 | -165.1 | 59.8 | 0 | 0 | 0 | 111.8 | F494 N522 I524 G525 | F494-D505 HydrophobicContact CE1-CB 4.5Å; D505-N522 PolarHBondContact OD2-ND2 3.23Å; D505-I524 WeakPolarHBondContact OD1-CA 3.19Å; D505-G525 PolarHBondContact OD1-N 3.42Å |
| 506 | I | 80.5 | Confident | 79 | Confident | 56 Ų | 56 | 60 Ų | 60 | 29% | 0.287 | 34% | 0.344 | S | S | . | . | trans | -91.9 | 103 | 170.5 | -55.8 | 173.8 | 0 | 0 | 0 | 107.2 | G493 R495 E508 | G493-I506 PolarHBondContact O-N 3.18Å; R495-I506 HydrophobicContact CB-CD1 4.19Å; R495-I506 HydrophobicContact CB-CG1 3.99Å; R495-I506 HydrophobicContact CG-CG1 4.05Å; I506-E508 VanDerWaalsContact C-N 3.26Å; I506-E508 HydrophobicContact CB-CG 4.46Å; I506-E508 HydrophobicContact CG2-CG 3.96Å; I506-E508 PolarHBondContact O-N 2.95Å | ||
| 507 | D | 83 | Confident | 79.1 | Confident | 57 Ų | 57 | 61.6 Ų | 61.6 | 31% | 0.305 | 35% | 0.35 | S | S | . | . | trans | -70.9 | 85.3 | 171.9 | -164.3 | -36.4 | 0 | 0 | 0 | 110 | C509 L510 N522 | D507-C509 PolarHBondContact O-N 2.81Å; D507-C509 WeakPolarHBondContact OD1-CB 3.28Å; D507-C509 PolarHBondContact OD1-N 3.24Å; D507-L510 HydrophobicContact CB-CD1 3.91Å; D507-L510 HydrophobicContact CB-CG 4Å; D507-L510 WeakPolarHBondContact O-CB 3.48Å; D507-L510 PolarHBondContact O-N 3.09Å; D507-L510 VanDerWaalsContact O-N 3.15Å; D507-N522 WeakPolarHBondContact CA-ND2 3.32Å; D507-N522 WeakPolarHBondContact CB-ND2 3.36Å; D507-N522 WeakPolarHBondContact OD1-CB 3.04Å; D507-N522 PolarHBondContact OD2-ND2 2.82Å; D507-N522 VanDerWaalsContact OD2-ND2 3.12Å | ||
| 508 | E | 84.1 | Confident | 79.6 | Confident | 43 Ų | 43 | 65 Ų | 65 | 20% | 0.201 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -67.5 | -16.1 | -178.5 | -61.7 | 122.6 | 178.5 | 0 | 0 | 112.1 | I506 L510 D511 G514 G526 H527 | I506-E508 VanDerWaalsContact C-N 3.26Å; I506-E508 HydrophobicContact CB-CG 4.46Å; I506-E508 HydrophobicContact CG2-CG 3.96Å; I506-E508 PolarHBondContact O-N 2.95Å; E508-L510 PolarHBondContact O-N 2.78Å; E508-D511 PolarHBondContact O-N 3.01Å; E508-D511 VanDerWaalsContact O-N 3.13Å; E508-G514 WeakPolarHBondContact O-CA 3.33Å; E508-G514 PolarHBondContact O-N 2.88Å; E508-G514 VanDerWaalsContact O-N 3.11Å; E508-G526 VanDerWaalsContact OE2-C 3.27Å; E508-G526 WeakPolarHBondContact OE2-CA 3.41Å; E508-H527 HydrophobicContact CB-CB 4.39Å; E508-H527 WeakPolarHBondContact CB-ND1 3.26Å; E508-H527 IonicContact OE2-CE1 2.83Å; E508-H527 IonicContact OE2-CG 2.71Å; E508-H527 PolarHBondContact OE2-N 2.03Å; E508-H527 IonicContact OE2-ND1 3.03Å; E508-H527 PolarHBondContact OE2-ND1 2.8Å |
| 509 | C | 86.5 | Confident | 80.1 | Confident | 27 Ų | 27 | 63.3 Ų | 63.3 | 18% | 0.182 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -70.3 | -14.2 | 173.7 | -59.6 | 0 | 0 | 0 | 0 | 113.1 | D507 D511 C520 V521 N522 | D507-C509 PolarHBondContact O-N 2.81Å; D507-C509 WeakPolarHBondContact OD1-CB 3.28Å; D507-C509 PolarHBondContact OD1-N 3.24Å; C509-D511 VanDerWaalsContact C-N 3.3Å; C509-C520 WeakPolarHBondContact CA-SG 3.24Å; C509-C520 HydrophobicContact CB-CB 3.6Å; C509-C520 WeakPolarHBondContact CB-SG 3.08Å; C509-C520 VanDerWaalsContact SG-C 3.5Å; C509-C520 WeakPolarHBondContact SG-CB 3.39Å; C509-C520 CovalentContact SG-SG 2.03Å; C509-C520 PolarHBondContact SG-SG 2.74Å; C509-V521 PolarHBondContact SG-N 2.89Å; C509-V521 VanDerWaalsContact SG-N 3.42Å; C509-N522 PolarHBondContact SG-N 3.02Å |
| 510 | L | 80.6 | Confident | 81.1 | Confident | 150 Ų | 150 | 61.1 Ų | 61.1 | 79% | 0.785 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -77.8 | -13.9 | 171.6 | -59 | 179.6 | 0 | 0 | 0 | 113.3 | D507 E508 | D507-L510 HydrophobicContact CB-CD1 3.91Å; D507-L510 HydrophobicContact CB-CG 4Å; D507-L510 WeakPolarHBondContact O-CB 3.48Å; D507-L510 PolarHBondContact O-N 3.09Å; D507-L510 VanDerWaalsContact O-N 3.15Å; E508-L510 PolarHBondContact O-N 2.78Å |
| 511 | D | 69.6 | Low | 81.7 | Confident | 131 Ų | 131 | 61.4 Ų | 61.4 | 70% | 0.701 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -120.7 | 115.2 | -178.6 | -160.2 | 17.3 | 0 | 0 | 0 | 110.1 | E508 C509 N513 G514 | E508-D511 PolarHBondContact O-N 3.01Å; E508-D511 VanDerWaalsContact O-N 3.13Å; C509-D511 VanDerWaalsContact C-N 3.3Å; D511-N513 PolarHBondContact O-N 3.34Å; D511-G514 PolarHBondContact O-N 3.3Å |
| 512 | D | 78.1 | Confident | 81.9 | Confident | 140 Ų | 140 | 61.8 Ų | 61.8 | 75% | 0.749 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | 39.3 | 39.5 | -172.8 | -155.4 | 43.7 | 0 | 0 | 0 | 116 | G514 G515 | D512-G514 PolarHBondContact O-N 2.92Å; D512-G515 PolarHBondContact O-N 3.04Å |
| 513 | N | 83.2 | Confident | 81.8 | Confident | 58 Ų | 58 | 63.8 Ų | 63.8 | 31% | 0.31 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | 54.5 | 33.6 | -177.4 | -165.5 | 43.8 | 0 | 0 | 0 | 112.2 | D511 G515 C516 F518 C520 | D511-N513 PolarHBondContact O-N 3.34Å; N513-G515 PolarHBondContact O-N 2.63Å; N513-G515 VanDerWaalsContact O-N 3.11Å; N513-C516 PolarHBondContact ND2-O 3.28Å; N513-C516 WeakPolarHBondContact O-CB 3.35Å; N513-C516 PolarHBondContact O-N 2.79Å; N513-C516 PolarHBondContact O-SG 2.9Å; N513-C516 VanDerWaalsContact O-SG 3.34Å; N513-F518 PolarHBondContact ND2-O 2.93Å; N513-C520 VanDerWaalsContact O-CB 3.23Å; N513-C520 WeakPolarHBondContact O-CB 3.39Å; N513-C520 WeakPolarHBondContact OD1-CB 3.49Å; N513-C520 PolarHBondContact OD1-N 3.31Å; N513-C520 VanDerWaalsContact OD1-N 3.1Å |
| 514 | G | 71.1 | Confident | 81.6 | Confident | 7 Ų | 7 | 68.8 Ų | 68.8 | 7% | 0.072 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | 65.1 | 6.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | E508 D511 D512 C516 H527 R542 | E508-G514 WeakPolarHBondContact O-CA 3.33Å; E508-G514 PolarHBondContact O-N 2.88Å; E508-G514 VanDerWaalsContact O-N 3.11Å; D511-G514 PolarHBondContact O-N 3.3Å; D512-G514 PolarHBondContact O-N 2.92Å; G514-C516 VanDerWaalsContact C-N 3.34Å; G514-H527 PolarHBondContact O-NE2 3.39Å; G514-H527 VanDerWaalsContact O-NE2 3.11Å; G514-R542 PolarHBondContact O-NH2 2.95Å |
| 515 | G | 77 | Confident | 81.1 | Confident | 30 Ų | 30 | 65.4 Ų | 65.4 | 31% | 0.309 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | 74.5 | 20.5 | -164.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D512 N513 R542 | D512-G515 PolarHBondContact O-N 3.04Å; N513-G515 PolarHBondContact O-N 2.63Å; N513-G515 VanDerWaalsContact O-N 3.11Å; G515-R542 WeakPolarHBondContact O-CB 3.33Å; G515-R542 WeakPolarHBondContact O-CD 3.44Å; G515-R542 WeakPolarHBondContact O-CG 3.45Å |
| 516 | C | 85.5 | Confident | 80.9 | Confident | 10 Ų | 10 | 64.2 Ų | 64.2 | 7% | 0.068 | 35% | 0.354 | C | S | . | . | trans | -82.1 | 135.7 | 173.6 | -60.1 | 0 | 0 | 0 | 0 | 111.7 | N513 G514 F518 C520 C529 | N513-C516 PolarHBondContact ND2-O 3.28Å; N513-C516 WeakPolarHBondContact O-CB 3.35Å; N513-C516 PolarHBondContact O-N 2.79Å; N513-C516 PolarHBondContact O-SG 2.9Å; N513-C516 VanDerWaalsContact O-SG 3.34Å; G514-C516 VanDerWaalsContact C-N 3.34Å; C516-F518 PolarHBondContact O-N 2.87Å; C516-C520 HydrophobicContact CB-CB 4.18Å; C516-C529 WeakPolarHBondContact CA-SG 3.25Å; C516-C529 HydrophobicContact CB-CB 3.59Å; C516-C529 WeakPolarHBondContact CB-SG 3.44Å; C516-C529 WeakPolarHBondContact SG-CA 3.22Å; C516-C529 WeakPolarHBondContact SG-CB 3.49Å; C516-C529 CovalentContact SG-SG 2.02Å; C516-C529 PolarHBondContact SG-SG 2.69Å | ||
| 517 | E | 82.7 | Confident | 81.1 | Confident | 120 Ų | 120 | 64.1 Ų | 64.1 | 56% | 0.561 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -68.5 | -32.7 | -178.8 | -178.2 | 172.5 | 168 | 0 | 0 | 114 | R542 T543 C544 | E517-R542 PolarHBondContact N-O 2.82Å; E517-T543 VanDerWaalsContact OE2-CA 3.25Å; E517-T543 WeakPolarHBondContact OE2-CA 3.4Å; E517-T543 WeakPolarHBondContact OE2-CB 3.2Å; E517-C544 HydrophobicContact CB-CB 4.49Å; E517-C544 PolarHBondContact OE2-N 3.16Å |
| 518 | F | 85.1 | Confident | 81.3 | Confident | 96 Ų | 96 | 68.2 Ų | 68.2 | 42% | 0.421 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -118 | -81.8 | 179.7 | -179.7 | -104.5 | 0 | 0 | 0 | 112.4 | N513 C516 L530 C531 D532 | N513-F518 PolarHBondContact ND2-O 2.93Å; C516-F518 PolarHBondContact O-N 2.87Å; F518-L530 WeakPolarHBondContact CB-O 3.23Å; F518-L530 WeakPolarHBondContact CD1-O 3.27Å; F518-C531 VanDerWaalsContact CD1-C 3.45Å; F518-D532 HydrophobicContact CD1-CB 4.24Å; F518-D532 HydrophobicContact CD2-CB 3.97Å; F518-D532 HydrophobicContact CE1-CB 3.94Å; F518-D532 HydrophobicContact CE2-CB 3.65Å; F518-D532 HydrophobicContact CG-CB 4.24Å; F518-D532 HydrophobicContact CZ-CB 3.63Å |
| 519 | Q | 85 | Confident | 81.4 | Confident | 100 Ų | 100 | 66.6 Ų | 66.6 | 47% | 0.467 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 116.5 | -174.7 | -179.9 | 177.2 | 17.6 | 0 | 0 | 112.1 | V521 L530 | Q519-V521 HydrophobicContact CG-CG2 4.46Å; Q519-L530 HydrophobicContact CB-CB 4.31Å; Q519-L530 PolarHBondContact N-O 3.44Å; Q519-L530 PolarHBondContact O-N 2.8Å |
| 520 | C | 89.9 | Confident | 81.3 | Confident | 14 Ų | 14 | 68.5 Ų | 68.5 | 10% | 0.095 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 143.7 | 167.1 | -166.3 | 0 | 0 | 0 | 0 | 111.7 | C509 N513 C516 | C509-C520 WeakPolarHBondContact CA-SG 3.24Å; C509-C520 HydrophobicContact CB-CB 3.6Å; C509-C520 WeakPolarHBondContact CB-SG 3.08Å; C509-C520 VanDerWaalsContact SG-C 3.5Å; C509-C520 WeakPolarHBondContact SG-CB 3.39Å; C509-C520 CovalentContact SG-SG 2.03Å; C509-C520 PolarHBondContact SG-SG 2.74Å; N513-C520 VanDerWaalsContact O-CB 3.23Å; N513-C520 WeakPolarHBondContact O-CB 3.39Å; N513-C520 WeakPolarHBondContact OD1-CB 3.49Å; N513-C520 PolarHBondContact OD1-N 3.31Å; N513-C520 VanDerWaalsContact OD1-N 3.1Å; C516-C520 HydrophobicContact CB-CB 4.18Å |
| 521 | V | 86.1 | Confident | 81.3 | Confident | 39 Ų | 39 | 62.8 Ų | 62.8 | 24% | 0.236 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 115.3 | 168.5 | 177.9 | 0 | 0 | 0 | 0 | 108.7 | C509 Q519 R528 L530 | C509-V521 PolarHBondContact SG-N 2.89Å; C509-V521 VanDerWaalsContact SG-N 3.42Å; Q519-V521 HydrophobicContact CG-CG2 4.46Å; V521-R528 HydrophobicContact CB-CG 4.08Å; V521-R528 PolarHBondContact N-O 2.84Å; V521-R528 PolarHBondContact O-N 3.4Å; V521-L530 HydrophobicContact CG2-CD1 3.58Å; V521-L530 HydrophobicContact CG2-CG 4.08Å |
| 522 | N | 81.8 | Confident | 81.6 | Confident | 42 Ų | 42 | 60.4 Ų | 60.4 | 23% | 0.225 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 145 | 179.4 | -173.9 | 28.6 | 0 | 0 | 0 | 110.9 | D505 D507 C509 | D505-N522 PolarHBondContact OD2-ND2 3.23Å; D507-N522 WeakPolarHBondContact CA-ND2 3.32Å; D507-N522 WeakPolarHBondContact CB-ND2 3.36Å; D507-N522 WeakPolarHBondContact OD1-CB 3.04Å; D507-N522 PolarHBondContact OD2-ND2 2.82Å; D507-N522 VanDerWaalsContact OD2-ND2 3.12Å; C509-N522 PolarHBondContact SG-N 3.02Å |
| 523 | T | 80.1 | Confident | 80.5 | Confident | 62 Ų | 62 | 64 Ų | 64 | 38% | 0.38 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 164.1 | 173.6 | 84.7 | 0 | 0 | 0 | 0 | 109.9 | G525 G526 R528 | T523-G525 PolarHBondContact O-N 3.06Å; T523-G526 CarbonylContact C-O 3.48Å; T523-G526 VanDerWaalsContact CA-O 3.22Å; T523-G526 WeakPolarHBondContact CA-O 3.47Å; T523-G526 VanDerWaalsContact CB-O 3.26Å; T523-G526 WeakPolarHBondContact CB-O 3.29Å; T523-G526 PolarHBondContact N-O 3.25Å; T523-G526 CarbonylContact O-C 3.32Å; T523-G526 PolarHBondContact O-N 3.47Å; T523-G526 VanDerWaalsContact O-N 3.1Å; T523-G526 PolarHBondContact OG1-O 2.9Å; T523-R528 HydrophobicContact CG2-CG 4.2Å |
| 524 | I | 78.3 | Confident | 79.3 | Confident | 124 Ų | 124 | 64 Ų | 64 | 64% | 0.636 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | 107.2 | -171.4 | -65.4 | 171.9 | 0 | 0 | 0 | 110.2 | F494 D505 | F494-I524 HydrophobicContact CE1-CG2 3.98Å; F494-I524 HydrophobicContact CZ-CG2 3.77Å; D505-I524 WeakPolarHBondContact OD1-CA 3.19Å |
| 525 | G | 72.6 | Confident | 79.4 | Confident | 27 Ų | 27 | 65.5 Ų | 65.5 | 28% | 0.278 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | 21.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | F494 D505 T523 | F494-G525 VanDerWaalsContact CZ-CA 3.42Å; D505-G525 PolarHBondContact OD1-N 3.42Å; T523-G525 PolarHBondContact O-N 3.06Å |
| 526 | G | 79.2 | Confident | 79.2 | Confident | 16 Ų | 16 | 70.5 Ų | 70.5 | 17% | 0.165 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 155.8 | 160.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | E508 T523 | E508-G526 VanDerWaalsContact OE2-C 3.27Å; E508-G526 WeakPolarHBondContact OE2-CA 3.41Å; T523-G526 CarbonylContact C-O 3.48Å; T523-G526 VanDerWaalsContact CA-O 3.22Å; T523-G526 WeakPolarHBondContact CA-O 3.47Å; T523-G526 VanDerWaalsContact CB-O 3.26Å; T523-G526 WeakPolarHBondContact CB-O 3.29Å; T523-G526 PolarHBondContact N-O 3.25Å; T523-G526 CarbonylContact O-C 3.32Å; T523-G526 PolarHBondContact O-N 3.47Å; T523-G526 VanDerWaalsContact O-N 3.1Å; T523-G526 PolarHBondContact OG1-O 2.9Å |
| 527 | H | 84 | Confident | 78.6 | Confident | 54 Ų | 54 | 73.8 Ų | 73.8 | 25% | 0.25 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 171.5 | 177.5 | 60.9 | -79.1 | 0 | 0 | 0 | 114.4 | E508 G514 | E508-H527 HydrophobicContact CB-CB 4.39Å; E508-H527 WeakPolarHBondContact CB-ND1 3.26Å; E508-H527 IonicContact OE2-CE1 2.83Å; E508-H527 IonicContact OE2-CG 2.71Å; E508-H527 PolarHBondContact OE2-N 2.03Å; E508-H527 IonicContact OE2-ND1 3.03Å; E508-H527 PolarHBondContact OE2-ND1 2.8Å; G514-H527 PolarHBondContact O-NE2 3.39Å; G514-H527 VanDerWaalsContact O-NE2 3.11Å |
| 528 | R | 86.5 | Confident | 78.2 | Confident | 143 Ų | 143 | 70.2 Ų | 70.2 | 54% | 0.54 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 147.8 | 164.5 | 66.5 | -177.2 | -179.7 | 171.5 | 1.9 | 111.1 | V521 T523 | V521-R528 HydrophobicContact CB-CG 4.08Å; V521-R528 PolarHBondContact N-O 2.84Å; V521-R528 PolarHBondContact O-N 3.4Å; T523-R528 HydrophobicContact CG2-CG 4.2Å |
| 529 | C | 87.1 | Confident | 77.9 | Confident | 8 Ų | 8 | 72.4 Ų | 72.4 | 5% | 0.054 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 144.4 | 175.3 | -53.5 | 0 | 0 | 0 | 0 | 111.7 | C516 L537 G541 | C516-C529 WeakPolarHBondContact CA-SG 3.25Å; C516-C529 HydrophobicContact CB-CB 3.59Å; C516-C529 WeakPolarHBondContact CB-SG 3.44Å; C516-C529 WeakPolarHBondContact SG-CA 3.22Å; C516-C529 WeakPolarHBondContact SG-CB 3.49Å; C516-C529 CovalentContact SG-SG 2.02Å; C516-C529 PolarHBondContact SG-SG 2.69Å; C529-L537 HydrophobicContact CB-CD1 3.73Å; C529-L537 HydrophobicContact CB-CD2 4.42Å; C529-G541 WeakPolarHBondContact CB-O 3.2Å; C529-G541 PolarHBondContact SG-O 3.38Å |
| 530 | L | 83.2 | Confident | 77.2 | Confident | 67 Ų | 67 | 71.8 Ų | 71.8 | 35% | 0.351 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 147 | 170 | -58.8 | -179.8 | 0 | 0 | 0 | 108.8 | F518 Q519 V521 | F518-L530 WeakPolarHBondContact CB-O 3.23Å; F518-L530 WeakPolarHBondContact CD1-O 3.27Å; Q519-L530 HydrophobicContact CB-CB 4.31Å; Q519-L530 PolarHBondContact N-O 3.44Å; Q519-L530 PolarHBondContact O-N 2.8Å; V521-L530 HydrophobicContact CG2-CD1 3.58Å; V521-L530 HydrophobicContact CG2-CG 4.08Å |
| 531 | C | 81.2 | Confident | 76.6 | Confident | 30 Ų | 30 | 72.8 Ų | 72.8 | 20% | 0.203 | 41% | 0.406 | C | S | . | . | trans | -103.7 | 164.1 | 176.1 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | F518 D535 C544 | F518-C531 VanDerWaalsContact CD1-C 3.45Å; C531-D535 HydrophobicContact CB-CB 4.25Å; C531-D535 VanDerWaalsContact CB-O 3.3Å; C531-D535 WeakPolarHBondContact CB-O 3Å; C531-C544 WeakPolarHBondContact CA-SG 3.39Å; C531-C544 HydrophobicContact CB-CB 3.77Å; C531-C544 WeakPolarHBondContact CB-SG 3.12Å; C531-C544 VanDerWaalsContact SG-CA 3.58Å; C531-C544 WeakPolarHBondContact SG-CB 3.44Å; C531-C544 CovalentContact SG-SG 2.04Å; C531-C544 PolarHBondContact SG-SG 2.99Å | ||
| 532 | D | 76.5 | Confident | 76.2 | Confident | 81 Ų | 81 | 76.8 Ų | 76.8 | 43% | 0.433 | 42% | 0.417 | S | S | . | . | trans | -71 | 169.1 | 175.6 | -158.5 | 1 | 0 | 0 | 0 | 111.7 | F518 G534 D535 | F518-D532 HydrophobicContact CD1-CB 4.24Å; F518-D532 HydrophobicContact CD2-CB 3.97Å; F518-D532 HydrophobicContact CE1-CB 3.94Å; F518-D532 HydrophobicContact CE2-CB 3.65Å; F518-D532 HydrophobicContact CG-CB 4.24Å; F518-D532 HydrophobicContact CZ-CB 3.63Å; D532-G534 VanDerWaalsContact C-N 3.3Å; D532-G534 PolarHBondContact O-N 3.16Å; D532-D535 PolarHBondContact O-N 3.4Å | ||
| 533 | F | 55.5 | Low | 76.1 | Confident | 217 Ų | 217 | 77.1 Ų | 77.1 | 95% | 0.952 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 78.8 | -177.3 | -93.4 | -86 | 0 | 0 | 0 | 113.5 | ||
| 534 | G | 58.2 | Low | 76.2 | Confident | 57 Ų | 57 | 74.7 Ų | 74.7 | 59% | 0.588 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 154.7 | -13.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | D532 | D532-G534 VanDerWaalsContact C-N 3.3Å; D532-G534 PolarHBondContact O-N 3.16Å |
| 535 | D | 72.9 | Confident | 75.7 | Confident | 38 Ų | 38 | 71.1 Ų | 71.1 | 20% | 0.203 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 141.8 | -166.8 | -59.3 | -19.8 | 0 | 0 | 0 | 110.9 | C531 D532 C544 S545 R546 | C531-D535 HydrophobicContact CB-CB 4.25Å; C531-D535 VanDerWaalsContact CB-O 3.3Å; C531-D535 WeakPolarHBondContact CB-O 3Å; D532-D535 PolarHBondContact O-N 3.4Å; D535-C544 HydrophobicContact CB-CB 4.3Å; D535-S545 WeakPolarHBondContact CA-O 3.26Å; D535-R546 WeakPolarHBondContact OD1-CG 3.46Å; D535-R546 IonicContact OD1-NE 3.44Å; D535-R546 IonicContact OD2-NE 2.86Å; D535-R546 PolarHBondContact OD2-NE 2.01Å; D535-R546 IonicContact OD2-NH2 2.74Å |
| 536 | E | 72.8 | Confident | 74.8 | Confident | 136 Ų | 136 | 78.7 Ų | 78.7 | 64% | 0.636 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 137.2 | -176.1 | -66.6 | -169.2 | 166.7 | 0 | 0 | 111.5 | N538 C544 S545 | E536-N538 PolarHBondContact O-N 3.2Å; E536-C544 CarbonylContact O-C 3.28Å; E536-C544 WeakPolarHBondContact O-CA 3.41Å; E536-S545 PolarHBondContact N-O 3.45Å; E536-S545 PolarHBondContact O-N 2.9Å |
| 537 | L | 72.6 | Confident | 72.8 | Confident | 79 Ų | 79 | 82.4 Ų | 82.4 | 41% | 0.414 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 125 | 177.5 | -168.7 | 74.6 | 0 | 0 | 0 | 110.1 | C529 | C529-L537 HydrophobicContact CB-CD1 3.73Å; C529-L537 HydrophobicContact CB-CD2 4.42Å |
| 538 | N | 74.3 | Confident | 70.5 | Confident | 44 Ų | 44 | 84.4 Ų | 84.4 | 24% | 0.235 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 166.9 | -174.6 | -71.1 | -32.6 | 0 | 0 | 0 | 112.7 | E536 D540 G541 T543 S545 | E536-N538 PolarHBondContact O-N 3.2Å; N538-D540 WeakPolarHBondContact CB-OD1 3.44Å; N538-D540 PolarHBondContact O-N 2.98Å; N538-G541 PolarHBondContact O-N 3.38Å; N538-T543 WeakPolarHBondContact CB-O 3.22Å; N538-T543 WeakPolarHBondContact CB-OG1 3.43Å; N538-T543 PolarHBondContact N-O 3.04Å; N538-T543 PolarHBondContact ND2-O 3.11Å; N538-T543 PolarHBondContact ND2-OG1 3.42Å; N538-S545 VanDerWaalsContact OD1-CB 3.22Å; N538-S545 WeakPolarHBondContact OD1-CB 3.48Å; N538-S545 PolarHBondContact OD1-OG 3.37Å |
| 539 | P | 78.7 | Confident | 67.9 | Low | 143 Ų | 143 | 82 Ų | 82 | 93% | 0.929 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -7.9 | 179.9 | -24.1 | 35.6 | 0 | 0 | 0 | 115.9 | G541 | P539-G541 VanDerWaalsContact C-N 3.28Š|
| 540 | D | 70.8 | Confident | 65.2 | Low | 86 Ų | 86 | 91.7 Ų | 91.7 | 46% | 0.46 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -10.4 | 171 | 64.5 | 2.2 | 0 | 0 | 0 | 113.1 | N538 R542 T543 | N538-D540 WeakPolarHBondContact CB-OD1 3.44Å; N538-D540 PolarHBondContact O-N 2.98Å; D540-R542 PolarHBondContact O-N 3.17Å; D540-R542 PolarHBondContact OD1-N 2.95Å; D540-T543 VanDerWaalsContact CG-OG1 3.31Å; D540-T543 PolarHBondContact OD1-N 3.24Å; D540-T543 PolarHBondContact OD1-OG1 2.87Å; D540-T543 WeakPolarHBondContact OD2-CB 3.4Å; D540-T543 WeakPolarHBondContact OD2-CG2 3.22Å; D540-T543 PolarHBondContact OD2-N 2.82Å; D540-T543 PolarHBondContact OD2-OG1 3.24Å |
| 541 | G | 76.2 | Confident | 62.7 | Low | 35 Ų | 35 | 93.6 Ų | 93.6 | 36% | 0.361 | 51% | 0.512 | S | S | . | . | S | Bend | trans | 71.1 | 9.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | C529 N538 P539 | C529-G541 WeakPolarHBondContact CB-O 3.2Å; C529-G541 PolarHBondContact SG-O 3.38Å; N538-G541 PolarHBondContact O-N 3.38Å; P539-G541 VanDerWaalsContact C-N 3.28Å |
| 542 | R | 78.1 | Confident | 60.3 | Low | 124 Ų | 124 | 102.1 Ų | 102.1 | 47% | 0.468 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -129 | -44.6 | -167.6 | -80 | -177.1 | 167.9 | 172.8 | -3.8 | 114.7 | G514 G515 E517 D540 | G514-R542 PolarHBondContact O-NH2 2.95Å; G515-R542 WeakPolarHBondContact O-CB 3.33Å; G515-R542 WeakPolarHBondContact O-CD 3.44Å; G515-R542 WeakPolarHBondContact O-CG 3.45Å; E517-R542 PolarHBondContact N-O 2.82Å; D540-R542 PolarHBondContact O-N 3.17Å; D540-R542 PolarHBondContact OD1-N 2.95Å |
| 543 | T | 80 | Confident | 58 | Low | 48 Ų | 48 | 103.8 Ų | 103.8 | 29% | 0.294 | 55% | 0.549 | S | S | . | . | trans | -95.3 | 154.3 | -175.8 | 56.3 | 0 | 0 | 0 | 0 | 112.4 | E517 N538 D540 | E517-T543 VanDerWaalsContact OE2-CA 3.25Å; E517-T543 WeakPolarHBondContact OE2-CA 3.4Å; E517-T543 WeakPolarHBondContact OE2-CB 3.2Å; N538-T543 WeakPolarHBondContact CB-O 3.22Å; N538-T543 WeakPolarHBondContact CB-OG1 3.43Å; N538-T543 PolarHBondContact N-O 3.04Å; N538-T543 PolarHBondContact ND2-O 3.11Å; N538-T543 PolarHBondContact ND2-OG1 3.42Å; D540-T543 VanDerWaalsContact CG-OG1 3.31Å; D540-T543 PolarHBondContact OD1-N 3.24Å; D540-T543 PolarHBondContact OD1-OG1 2.87Å; D540-T543 WeakPolarHBondContact OD2-CB 3.4Å; D540-T543 WeakPolarHBondContact OD2-CG2 3.22Å; D540-T543 PolarHBondContact OD2-N 2.82Å; D540-T543 PolarHBondContact OD2-OG1 3.24Å | ||
| 544 | C | 81.2 | Confident | 56.8 | Low | 11 Ų | 11 | 100.1 Ų | 100.1 | 7% | 0.074 | 54% | 0.539 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 108 | -172.6 | -68.9 | 0 | 0 | 0 | 0 | 110.1 | E517 C531 D535 E536 | E517-C544 HydrophobicContact CB-CB 4.49Å; E517-C544 PolarHBondContact OE2-N 3.16Å; C531-C544 WeakPolarHBondContact CA-SG 3.39Å; C531-C544 HydrophobicContact CB-CB 3.77Å; C531-C544 WeakPolarHBondContact CB-SG 3.12Å; C531-C544 VanDerWaalsContact SG-CA 3.58Å; C531-C544 WeakPolarHBondContact SG-CB 3.44Å; C531-C544 CovalentContact SG-SG 2.04Å; C531-C544 PolarHBondContact SG-SG 2.99Å; D535-C544 HydrophobicContact CB-CB 4.3Å; E536-C544 CarbonylContact O-C 3.28Å; E536-C544 WeakPolarHBondContact O-CA 3.41Å |
| 545 | S | 68 | Low | 55.6 | Low | 50 Ų | 50 | 101.4 Ų | 101.4 | 35% | 0.35 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 134.7 | -179.5 | 62.7 | 0 | 0 | 0 | 0 | 113.3 | D535 E536 N538 S547 | D535-S545 WeakPolarHBondContact CA-O 3.26Å; E536-S545 PolarHBondContact N-O 3.45Å; E536-S545 PolarHBondContact O-N 2.9Å; N538-S545 VanDerWaalsContact OD1-CB 3.22Å; N538-S545 WeakPolarHBondContact OD1-CB 3.48Å; N538-S545 PolarHBondContact OD1-OG 3.37Å; S545-S547 PolarHBondContact O-N 3.5Å |
| 546 | R | 53 | Low | 53.5 | Low | 186 Ų | 186 | 103.6 Ų | 103.6 | 70% | 0.702 | 56% | 0.557 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -70.3 | 114.5 | 171.9 | -96.2 | 173.9 | -174 | 168.1 | 8.6 | 111.1 | D535 S548 | D535-R546 WeakPolarHBondContact OD1-CG 3.46Å; D535-R546 IonicContact OD1-NE 3.44Å; D535-R546 IonicContact OD2-NE 2.86Å; D535-R546 PolarHBondContact OD2-NE 2.01Å; D535-R546 IonicContact OD2-NH2 2.74Å; R546-S548 PolarHBondContact O-N 2.99Å |
| 547 | S | 37.9 | Very low | 51.4 | Low | 93 Ų | 93 | 102.5 Ų | 102.5 | 65% | 0.65 | 56% | 0.56 | S | S | * | * | trans | -72.4 | 69 | 170.2 | 172.2 | 0 | 0 | 0 | 0 | 111.7 | S545 | S545-S547 PolarHBondContact O-N 3.5Š| ||
| 548 | S | 36.7 | Very low | 49.2 | Very low | 97 Ų | 97 | 104.9 Ų | 104.9 | 68% | 0.678 | 57% | 0.572 | S | S | * | * | trans | -147.1 | 128.9 | 165 | 55.2 | 0 | 0 | 0 | 0 | 114.3 | R546 | R546-S548 PolarHBondContact O-N 2.99Š| ||
| 549 | S | 30.9 | Very low | 47.1 | Very low | 92 Ų | 92 | 111.3 Ų | 111.3 | 64% | 0.643 | 60% | 0.599 | S | S | * | * | trans | -56.2 | 164.2 | 166.8 | 51.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 550 | Y | 30.7 | Very low | 44.7 | Very low | 212 Ų | 212 | 110.3 Ų | 110.3 | 83% | 0.831 | 59% | 0.59 | S | S | * | * | trans | 86.2 | 142.5 | 171.8 | -61.1 | -88.1 | 0 | 0 | 0 | 117 | ||||
| 551 | V | 30.5 | Very low | 42.9 | Very low | 107 Ų | 107 | 111 Ų | 111 | 65% | 0.648 | 60% | 0.599 | S | S | * | * | cis | -171.8 | 130.6 | -35.8 | 113.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 552 | R | 29.9 | Very low | 40.5 | Very low | 209 Ų | 209 | 114.8 Ų | 114.8 | 79% | 0.789 | 62% | 0.615 | S | S | * | * | trans | 61.8 | 168.9 | 154.7 | -68.8 | -168.9 | -156 | -161.8 | 3.4 | 118.6 | ||||
| 553 | D | 29.3 | Very low | 38.1 | Very low | 116 Ų | 116 | 117.3 Ų | 117.3 | 62% | 0.62 | 63% | 0.63 | S | S | * | * | cis | -141.9 | 156 | -10 | -114.2 | -12 | 0 | 0 | 0 | 107 | ||||
| 554 | D | 30.5 | Very low | 35.6 | Very low | 140 Ų | 140 | 122.3 Ų | 122.3 | 75% | 0.749 | 65% | 0.65 | S | S | * | * | 47.9 | 131.5 | 98 | -147.5 | 29.3 | 0 | 0 | 0 | 113.5 | |||||
| 555 | S | 32.2 | Very low | 33 | Very low | 84 Ų | 84 | 127.9 Ų | 127.9 | 59% | 0.587 | 68% | 0.679 | S | S | * | * | cis | -161.6 | -158.4 | 23.3 | -149.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 556 | S | 30.2 | Very low | 30.9 | Very low | 83 Ų | 83 | 135.4 Ų | 135.4 | 58% | 0.58 | 70% | 0.7 | S | S | * | * | cis | -169.3 | 153.5 | 6.3 | -132 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 557 | T | 27.4 | Very low | 29.7 | Very low | 114 Ų | 114 | 134.8 Ų | 134.8 | 70% | 0.699 | 70% | 0.702 | S | S | * | * | trans | 68.4 | 147.9 | 141.8 | 69.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 558 | L | 27.7 | Very low | 29.1 | Very low | 128 Ų | 128 | 137.8 Ų | 137.8 | 67% | 0.67 | 71% | 0.706 | S | S | * | * | cis | -163.9 | 162 | -8.9 | -132.1 | 36.5 | 0 | 0 | 0 | 113.7 | ||||
| 559 | F | 28.7 | Very low | 28.4 | Very low | 179 Ų | 179 | 139.6 Ų | 139.6 | 79% | 0.785 | 71% | 0.707 | S | S | * | * | trans | 69.1 | 97.1 | 151.6 | -63.7 | -44.6 | 0 | 0 | 0 | 124.4 | ||||
| 560 | T | 28 | Very low | 28.1 | Very low | 122 Ų | 122 | 141.2 Ų | 141.2 | 75% | 0.748 | 71% | 0.709 | S | S | * | * | -43.4 | 167.3 | 129.9 | 57.3 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 561 | P | 34.2 | Very low | 28 | Very low | 101 Ų | 101 | 137.6 Ų | 137.6 | 66% | 0.656 | 70% | 0.701 | S | S | * | * | cis | -163.9 | 152.2 | 45.3 | 42.1 | -17.2 | 0 | 0 | 0 | 123.5 | ||||
| 562 | T | 26.2 | Very low | 27.9 | Very low | 114 Ų | 114 | 141.1 Ų | 141.1 | 70% | 0.699 | 71% | 0.708 | S | S | * | * | trans | 70.5 | 154 | 136.8 | 63.2 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 563 | K | 27.7 | Very low | 28 | Very low | 177 Ų | 177 | 135.9 Ų | 135.9 | 77% | 0.77 | 70% | 0.701 | S | S | * | * | trans | 77.3 | 149.7 | 153.2 | -75.7 | 157.5 | -176.3 | 173.2 | 0 | 118.2 | ||||
| 564 | Q | 27 | Very low | 28 | Very low | 153 Ų | 153 | 136.4 Ų | 136.4 | 72% | 0.715 | 71% | 0.708 | S | S | * | * | cis | -173.9 | 151.5 | -24.6 | -125.3 | 176.8 | 3.6 | 0 | 0 | 109.7 | ||||
| 565 | N | 25.9 | Very low | 28 | Very low | 129 Ų | 129 | 138.3 Ų | 138.3 | 69% | 0.69 | 71% | 0.712 | S | S | * | * | trans | 65 | 167 | 161.6 | -67.2 | -55.3 | 0 | 0 | 0 | 118.5 | ||||
| 566 | R | 25 | Very low | 27.9 | Very low | 207 Ų | 207 | 144.5 Ų | 144.5 | 78% | 0.781 | 72% | 0.723 | S | S | * | * | cis | 179.5 | 151 | -35.9 | -163.1 | -179.8 | -176.3 | 178.4 | 2.5 | 108.5 | ||||
| 567 | K | 26.2 | Very low | 27.8 | Very low | 174 Ų | 174 | 146.8 Ų | 146.8 | 76% | 0.757 | 73% | 0.727 | S | S | * | * | trans | 71.4 | 164.8 | 171 | -61.8 | -170.6 | 179.3 | -175.5 | 0 | 116.6 | ||||
| 568 | Q | 25.3 | Very low | 27.9 | Very low | 155 Ų | 155 | 147.3 Ų | 147.3 | 72% | 0.724 | 73% | 0.73 | S | S | * | * | cis | 178.5 | 142.1 | -44.5 | -111.5 | 173.1 | -29.3 | 0 | 0 | 109.3 | ||||
| 569 | L | 23.8 | Very low | 28.1 | Very low | 136 Ų | 136 | 148 Ų | 148 | 71% | 0.712 | 73% | 0.733 | S | S | * | * | trans | 70.5 | 119.2 | 149.2 | -64.2 | 163 | 0 | 0 | 0 | 123.5 | ||||
| 570 | N | 24.8 | Very low | 28.1 | Very low | 125 Ų | 125 | 142.8 Ų | 142.8 | 67% | 0.668 | 73% | 0.73 | S | S | * | * | 79.3 | 107.5 | 128.2 | -68.8 | 6.1 | 0 | 0 | 0 | 126.5 | |||||
| 571 | M | 27.2 | Very low | 28.3 | Very low | 137 Ų | 137 | 143.7 Ų | 143.7 | 68% | 0.675 | 73% | 0.73 | S | S | * | * | 76.4 | 126.6 | 115.7 | -66.4 | 174.6 | 75 | 0 | 0 | 125.2 | |||||
| 572 | K | 28.4 | Very low | 28.2 | Very low | 181 Ų | 181 | 143.7 Ų | 143.7 | 79% | 0.787 | 73% | 0.728 | S | S | * | * | trans | 76.9 | 162.6 | 139.2 | -76.3 | -172.3 | 175.8 | 179.8 | 0 | 120.2 | ||||
| 573 | P | 32.9 | Very low | 28.6 | Very low | 99 Ų | 99 | 145.3 Ų | 145.3 | 64% | 0.643 | 73% | 0.727 | S | S | * | * | cis | -148.9 | 174.5 | -46 | 43.4 | -25.6 | 0 | 0 | 0 | 118.2 | ||||
| 574 | T | 28.1 | Very low | 28.8 | Very low | 126 Ų | 126 | 143.1 Ų | 143.1 | 77% | 0.773 | 72% | 0.72 | S | S | * | * | trans | 74.6 | 145.9 | 147.3 | 48.8 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 575 | Q | 30.8 | Very low | 28.9 | Very low | 180 Ų | 180 | 144.2 Ų | 144.2 | 84% | 0.841 | 72% | 0.722 | S | S | * | * | trans | 105.2 | 147.7 | 151.8 | -56.3 | -164.9 | 24.1 | 0 | 0 | 119.4 | ||||
| 576 | R | 29.8 | Very low | 29.3 | Very low | 215 Ų | 215 | 144 Ų | 144 | 81% | 0.811 | 73% | 0.731 | S | S | * | * | cis | -174.5 | 148.7 | -44.5 | -130.4 | -169.6 | 175.6 | -159.7 | 2 | 113.3 | ||||
| 577 | I | 29.1 | Very low | 29.6 | Very low | 131 Ų | 131 | 143.9 Ų | 143.9 | 67% | 0.672 | 74% | 0.736 | S | S | * | * | trans | 75 | 142.4 | 159.1 | -48.6 | 152.4 | 0 | 0 | 0 | 114.4 | ||||
| 578 | V | 30 | Very low | 29.8 | Very low | 124 Ų | 124 | 141.2 Ų | 141.2 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | -161.9 | 121.3 | 75.8 | 166.3 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 579 | I | 30.3 | Very low | 30.5 | Very low | 144 Ų | 144 | 144.2 Ų | 144.2 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | trans | 50.5 | 133.2 | 140.3 | -56.2 | 176.1 | 0 | 0 | 0 | 119.8 | ||||
| 580 | G | 29.9 | Very low | 31.7 | Very low | 69 Ų | 69 | 141.8 Ų | 141.8 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | cis | -162.8 | -133.4 | 11.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 581 | D | 32.3 | Very low | 32.7 | Very low | 141 Ų | 141 | 137 Ų | 137 | 75% | 0.754 | 71% | 0.708 | S | S | * | * | cis | 174.8 | 150.6 | -18.1 | -110.3 | 34.1 | 0 | 0 | 0 | 106.3 | ||||
| 582 | V | 32.1 | Very low | 34.1 | Very low | 101 Ų | 101 | 135.1 Ų | 135.1 | 61% | 0.612 | 70% | 0.697 | S | S | * | * | cis | -146.9 | 138.1 | -0.5 | -159.5 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 583 | H | 34.2 | Very low | 35.2 | Very low | 148 Ų | 148 | 127.1 Ų | 127.1 | 69% | 0.685 | 66% | 0.662 | S | S | * | * | 180 | 124.9 | 94.9 | -100.6 | -89.8 | 0 | 0 | 0 | 112.7 | |||||
| 584 | Q | 31.7 | Very low | 36.2 | Very low | 131 Ų | 131 | 125.5 Ų | 125.5 | 61% | 0.612 | 65% | 0.653 | S | S | * | * | 45.4 | 136.3 | 124.3 | -71.1 | 174.1 | -9.6 | 0 | 0 | 121.3 | |||||
| 585 | F | 30 | Very low | 37.7 | Very low | 176 Ų | 176 | 129 Ų | 129 | 77% | 0.772 | 65% | 0.653 | S | S | * | * | cis | -154.3 | 134.1 | 2.4 | -91.3 | -69.2 | 0 | 0 | 0 | 110.7 | ||||
| 586 | S | 32.6 | Very low | 38.9 | Very low | 125 Ų | 125 | 123 Ų | 123 | 87% | 0.874 | 64% | 0.639 | S | S | * | * | trans | 176.8 | 140.3 | 132.7 | 40.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 587 | K | 31.2 | Very low | 40.4 | Very low | 204 Ų | 204 | 115.6 Ų | 115.6 | 89% | 0.887 | 62% | 0.62 | S | S | * | * | trans | -32.1 | 131.2 | -174.1 | -62.4 | 167.3 | 178.7 | 175.2 | 0 | 118.2 | ||||
| 588 | P | 31.2 | Very low | 41.7 | Very low | 118 Ų | 118 | 115 Ų | 115 | 77% | 0.766 | 62% | 0.618 | S | S | * | * | trans | -78.4 | 151.4 | 172.4 | 33.5 | -35.3 | 0 | 0 | 0 | 113.2 | ||||
| 589 | R | 39.7 | Very low | 43.4 | Very low | 217 Ų | 217 | 109.8 Ų | 109.8 | 82% | 0.819 | 59% | 0.587 | S | S | * | * | trans | -102.3 | 114.6 | 176.4 | -73.8 | -179.3 | 171.4 | -175.9 | -3.1 | 111.2 | ||||
| 590 | T | 49 | Very low | 45.2 | Very low | 86 Ų | 86 | 109.1 Ų | 109.1 | 53% | 0.528 | 58% | 0.584 | S | S | . | * | trans | -89.5 | 142.6 | 172.3 | 20.9 | 0 | 0 | 0 | 0 | 111.2 | F592 L598 | T590-F592 WeakPolarHBondContact O-CD2 3.09Å; T590-F592 VanDerWaalsContact OG1-CE2 3.29Å; T590-F592 WeakPolarHBondContact OG1-CE2 3.41Å; T590-L598 HydrophobicContact CG2-CD2 4.45Å | ||
| 591 | S | 47.1 | Very low | 46.6 | Very low | 23 Ų | 23 | 112.1 Ų | 112.1 | 16% | 0.161 | 59% | 0.591 | C | S | . | * | trans | -85 | 127.4 | 174.8 | -163.7 | 0 | 0 | 0 | 0 | 110.5 | C599 | S591-C599 PolarHBondContact O-N 3.21Š| ||
| 592 | F | 55.5 | Low | 48 | Very low | 98 Ų | 98 | 106.3 Ų | 106.3 | 43% | 0.43 | 57% | 0.565 | S | S | . | * | B | Isolated β-bridge | trans | -121 | 147.4 | 178.8 | -66.4 | -93.2 | 0 | 0 | 0 | 110.4 | T590 G596 S597 L598 | T590-F592 WeakPolarHBondContact O-CD2 3.09Å; T590-F592 VanDerWaalsContact OG1-CE2 3.29Å; T590-F592 WeakPolarHBondContact OG1-CE2 3.41Å; F592-G596 WeakPolarHBondContact CD1-O 3.29Å; F592-S597 CarbonylContact C-O 3.41Å; F592-S597 VanDerWaalsContact CA-O 3.23Å; F592-S597 WeakPolarHBondContact CA-O 3.48Å; F592-L598 HydrophobicContact CD1-CD1 4.05Å; F592-L598 HydrophobicContact CE1-CD1 3.44Å; F592-L598 VanDerWaalsContact CE1-CD1 3.44Å; F592-L598 HydrophobicContact CE1-CG 4.28Å; F592-L598 HydrophobicContact CZ-CD1 4.01Å |
| 593 | D | 51.9 | Low | 50.2 | Low | 13 Ų | 13 | 106.3 Ų | 106.3 | 7% | 0.07 | 55% | 0.553 | C | S | . | * | trans | -72.3 | 168.6 | 166.6 | 94.4 | -34.9 | 0 | 0 | 0 | 111.3 | R595 G596 S597 H606 | D593-R595 PolarHBondContact O-N 3.21Å; D593-R595 WeakPolarHBondContact OD1-CA 3.33Å; D593-R595 WeakPolarHBondContact OD1-CB 3.45Å; D593-R595 PolarHBondContact OD1-N 2.78Å; D593-R595 IonicContact OD2-CZ 3.8Å; D593-R595 IonicContact OD2-NE 3.03Å; D593-R595 PolarHBondContact OD2-NE 3.09Å; D593-R595 IonicContact OD2-NH2 2.94Å; D593-R595 PolarHBondContact OD2-NH2 3.05Å; D593-G596 PolarHBondContact O-N 3.12Å; D593-G596 PolarHBondContact OD1-N 3.45Å; D593-G596 VanDerWaalsContact OD1-N 3.17Å; D593-S597 PolarHBondContact N-O 2.81Å; D593-S597 WeakPolarHBondContact OD1-CA 3.04Å; D593-S597 WeakPolarHBondContact OD1-CB 3.33Å; D593-S597 PolarHBondContact OD1-N 2.77Å; D593-S597 PolarHBondContact OD1-OG 3.14Å; D593-H606 WeakPolarHBondContact CA-O 3.39Å | ||
| 594 | S | 53.1 | Low | 52.4 | Low | 65 Ų | 65 | 99.3 Ų | 99.3 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 2.2 | 177 | 52.8 | 0 | 0 | 0 | 0 | 115.8 | H606 | S594-H606 WeakPolarHBondContact CB-CE1 3.15Å; S594-H606 WeakPolarHBondContact CB-NE2 3.39Å; S594-H606 PolarHBondContact N-O 3.19Å; S594-H606 PolarHBondContact OG-CE1 3.16Å; S594-H606 PolarHBondContact OG-ND1 2.91Å; S594-H606 PolarHBondContact OG-O 3.17Å |
| 595 | R | 60.2 | Low | 54.2 | Low | 200 Ų | 200 | 93.7 Ų | 93.7 | 76% | 0.755 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.9 | 6.9 | 172.5 | -62 | 166.6 | -68.6 | -152.8 | -7.4 | 112.8 | D593 | D593-R595 PolarHBondContact O-N 3.21Å; D593-R595 WeakPolarHBondContact OD1-CA 3.33Å; D593-R595 WeakPolarHBondContact OD1-CB 3.45Å; D593-R595 PolarHBondContact OD1-N 2.78Å; D593-R595 IonicContact OD2-CZ 3.8Å; D593-R595 IonicContact OD2-NE 3.03Å; D593-R595 PolarHBondContact OD2-NE 3.09Å; D593-R595 IonicContact OD2-NH2 2.94Å; D593-R595 PolarHBondContact OD2-NH2 3.05Å |
| 596 | G | 57.2 | Low | 56.1 | Low | 54 Ų | 54 | 91.3 Ų | 91.3 | 56% | 0.557 | 49% | 0.489 | S | S | * | . | S | Bend | trans | 79 | 18.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | F592 D593 | F592-G596 WeakPolarHBondContact CD1-O 3.29Å; D593-G596 PolarHBondContact O-N 3.12Å; D593-G596 PolarHBondContact OD1-N 3.45Å; D593-G596 VanDerWaalsContact OD1-N 3.17Å |
| 597 | S | 60.6 | Low | 58.2 | Low | 59 Ų | 59 | 90.3 Ų | 90.3 | 41% | 0.413 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -88.8 | 138.8 | 175.7 | -35.6 | 0 | 0 | 0 | 0 | 109.8 | F592 D593 C599 | F592-S597 CarbonylContact C-O 3.41Å; F592-S597 VanDerWaalsContact CA-O 3.23Å; F592-S597 WeakPolarHBondContact CA-O 3.48Å; D593-S597 PolarHBondContact N-O 2.81Å; D593-S597 WeakPolarHBondContact OD1-CA 3.04Å; D593-S597 WeakPolarHBondContact OD1-CB 3.33Å; D593-S597 PolarHBondContact OD1-N 2.77Å; D593-S597 PolarHBondContact OD1-OG 3.14Å; S597-C599 PolarHBondContact O-N 2.92Å |
| 598 | L | 56.6 | Low | 60.3 | Low | 120 Ų | 120 | 81.7 Ų | 81.7 | 63% | 0.628 | 44% | 0.439 | S | S | * | . | B | Isolated β-bridge | trans | -60.3 | 133.4 | 172.7 | -95.7 | 79.6 | 0 | 0 | 0 | 110.7 | T590 F592 | T590-L598 HydrophobicContact CG2-CD2 4.45Å; F592-L598 HydrophobicContact CD1-CD1 4.05Å; F592-L598 HydrophobicContact CE1-CD1 3.44Å; F592-L598 VanDerWaalsContact CE1-CD1 3.44Å; F592-L598 HydrophobicContact CE1-CG 4.28Å; F592-L598 HydrophobicContact CZ-CD1 4.01Å |
| 599 | C | 64.7 | Low | 62.6 | Low | 14 Ų | 14 | 78.6 Ų | 78.6 | 10% | 0.095 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 145.6 | 164.1 | -66.9 | 0 | 0 | 0 | 0 | 110.6 | S591 S597 R603 C608 | S591-C599 PolarHBondContact O-N 3.21Å; S597-C599 PolarHBondContact O-N 2.92Å; C599-R603 HydrophobicContact CB-CB 4.37Å; C599-R603 WeakPolarHBondContact CB-O 3.38Å; C599-C608 WeakPolarHBondContact CA-SG 3.39Å; C599-C608 HydrophobicContact CB-CB 3.8Å; C599-C608 WeakPolarHBondContact CB-SG 3.28Å; C599-C608 WeakPolarHBondContact SG-CB 3.49Å; C599-C608 CovalentContact SG-SG 2.04Å; C599-C608 PolarHBondContact SG-SG 2.04Å |
| 600 | L | 68.6 | Low | 64.6 | Low | 129 Ų | 129 | 70.8 Ų | 70.8 | 68% | 0.675 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -58 | 144.1 | 171.7 | -77.7 | 142 | 0 | 0 | 0 | 110.3 | G602 R603 | L600-G602 PolarHBondContact O-N 3.38Å; L600-R603 WeakPolarHBondContact O-CB 3.04Å; L600-R603 PolarHBondContact O-N 2.84Å |
| 601 | P | 59 | Low | 66.2 | Low | 132 Ų | 132 | 68 Ų | 68 | 86% | 0.857 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 125.2 | -177.4 | -28.9 | 35.7 | 0 | 0 | 0 | 113.2 | ||
| 602 | G | 61.9 | Low | 67.8 | Low | 20 Ų | 20 | 69 Ų | 69 | 21% | 0.206 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | 7.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L600 T611 | L600-G602 PolarHBondContact O-N 3.38Å; G602-T611 WeakPolarHBondContact O-CA 3.27Å; G602-T611 WeakPolarHBondContact O-CG2 3.33Å |
| 603 | R | 79.2 | Confident | 69 | Low | 100 Ų | 100 | 69.3 Ų | 69.3 | 38% | 0.377 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 146.9 | 168.4 | -76.7 | -177.9 | 161.7 | -73.3 | -8 | 111.9 | C599 L600 C608 S609 F610 T611 | C599-R603 HydrophobicContact CB-CB 4.37Å; C599-R603 WeakPolarHBondContact CB-O 3.38Å; L600-R603 WeakPolarHBondContact O-CB 3.04Å; L600-R603 PolarHBondContact O-N 2.84Å; R603-C608 HydrophobicContact CB-CB 4.3Å; R603-C608 WeakPolarHBondContact CD-O 3.23Å; R603-C608 PolarHBondContact NH1-O 3.31Å; R603-S609 VanDerWaalsContact NH1-C 3.28Å; R603-S609 PolarHBondContact NH1-O 2.87Å; R603-F610 VanDerWaalsContact CA-O 3.23Å; R603-F610 WeakPolarHBondContact CA-O 3.44Å; R603-T611 HydrophobicContact CG-CG2 3.64Å |
| 604 | F | 78.9 | Confident | 70.7 | Confident | 2 Ų | 2 | 72.4 Ų | 72.4 | 1% | 0.009 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | -179.1 | 179.8 | 57.6 | -98.9 | 0 | 0 | 0 | 112.1 | C608 S609 F610 T626 C628 I637 I638 | F604-C608 CarbonylContact O-C 3.56Å; F604-C608 WeakPolarHBondContact O-CA 3.21Å; F604-S609 PolarHBondContact O-N 3.35Å; F604-F610 HydrophobicContact CD2-CB 3.79Å; F604-F610 HydrophobicContact CE2-CB 3.61Å; F604-F610 HydrophobicContact CE2-CG 4.47Å; F604-F610 HydrophobicContact CG-CB 4.48Å; F604-F610 HydrophobicContact CZ-CB 4.17Å; F604-F610 PolarHBondContact N-O 2.97Å; F604-F610 PolarHBondContact O-N 2.95Å; F604-T626 WeakPolarHBondContact CB-O 3.38Å; F604-C628 VanDerWaalsContact CZ-SG 3.59Å; F604-I637 HydrophobicContact CD2-CG2 4.17Å; F604-I637 HydrophobicContact CE2-CG2 4.37Å; F604-I638 HydrophobicContact CE2-CG2 4.07Å |
| 605 | G | 69.6 | Low | 72.2 | Confident | 13 Ų | 13 | 70.6 Ų | 70.6 | 13% | 0.134 | 40% | 0.397 | C | S | . | . | S | Bend | trans | 89.9 | 167.1 | -173 | 0 | 0 | 0 | 0 | 0 | 112.9 | D607 C608 | G605-D607 PolarHBondContact O-N 2.8Å; G605-C608 PolarHBondContact O-N 3.18Å |
| 606 | H | 70.7 | Confident | 73.2 | Confident | 126 Ų | 126 | 66 Ų | 66 | 58% | 0.583 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -33.2 | -170.5 | -171.7 | -90.2 | 0 | 0 | 0 | 114.5 | D593 S594 | D593-H606 WeakPolarHBondContact CA-O 3.39Å; S594-H606 WeakPolarHBondContact CB-CE1 3.15Å; S594-H606 WeakPolarHBondContact CB-NE2 3.39Å; S594-H606 PolarHBondContact N-O 3.19Å; S594-H606 PolarHBondContact OG-CE1 3.16Å; S594-H606 PolarHBondContact OG-ND1 2.91Å; S594-H606 PolarHBondContact OG-O 3.17Å |
| 607 | D | 76.2 | Confident | 74.1 | Confident | 104 Ų | 104 | 66.8 Ų | 66.8 | 56% | 0.556 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.5 | 17.7 | -179.5 | -57.6 | -12.4 | 0 | 0 | 0 | 112 | G605 S609 | G605-D607 PolarHBondContact O-N 2.8Å; D607-S609 PolarHBondContact O-N 2.93Å; D607-S609 VanDerWaalsContact O-N 3.1Å |
| 608 | C | 75.3 | Confident | 74.4 | Confident | 22 Ų | 22 | 66.5 Ų | 66.5 | 15% | 0.149 | 38% | 0.382 | C | S | . | . | S | Bend | trans | 52.5 | 24.9 | -169.6 | -51.5 | 0 | 0 | 0 | 0 | 114.2 | C599 R603 F604 G605 | C599-C608 WeakPolarHBondContact CA-SG 3.39Å; C599-C608 HydrophobicContact CB-CB 3.8Å; C599-C608 WeakPolarHBondContact CB-SG 3.28Å; C599-C608 WeakPolarHBondContact SG-CB 3.49Å; C599-C608 CovalentContact SG-SG 2.04Å; C599-C608 PolarHBondContact SG-SG 2.04Å; R603-C608 HydrophobicContact CB-CB 4.3Å; R603-C608 WeakPolarHBondContact CD-O 3.23Å; R603-C608 PolarHBondContact NH1-O 3.31Å; F604-C608 CarbonylContact O-C 3.56Å; F604-C608 WeakPolarHBondContact O-CA 3.21Å; G605-C608 PolarHBondContact O-N 3.18Å |
| 609 | S | 79.6 | Confident | 75.3 | Confident | 54 Ų | 54 | 61.3 Ų | 61.3 | 38% | 0.378 | 36% | 0.358 | S | S | . | . | trans | -69.3 | -38 | -175 | 47.6 | 0 | 0 | 0 | 0 | 113.1 | R603 F604 D607 | R603-S609 VanDerWaalsContact NH1-C 3.28Å; R603-S609 PolarHBondContact NH1-O 2.87Å; F604-S609 PolarHBondContact O-N 3.35Å; D607-S609 PolarHBondContact O-N 2.93Å; D607-S609 VanDerWaalsContact O-N 3.1Å | ||
| 610 | F | 81.6 | Confident | 76 | Confident | 52 Ų | 52 | 68.9 Ų | 68.9 | 23% | 0.228 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 166.3 | -175.1 | -51.3 | -56.8 | 0 | 0 | 0 | 112.4 | R603 F604 H614 I637 I638 | R603-F610 VanDerWaalsContact CA-O 3.23Å; R603-F610 WeakPolarHBondContact CA-O 3.44Å; F604-F610 HydrophobicContact CD2-CB 3.79Å; F604-F610 HydrophobicContact CE2-CB 3.61Å; F604-F610 HydrophobicContact CE2-CG 4.47Å; F604-F610 HydrophobicContact CG-CB 4.48Å; F604-F610 HydrophobicContact CZ-CB 4.17Å; F604-F610 PolarHBondContact N-O 2.97Å; F604-F610 PolarHBondContact O-N 2.95Å; F610-H614 HydrophobicContact CB-CB 4.36Å; F610-H614 HydrophobicContact CD1-CB 4.32Å; F610-I637 HydrophobicContact CD2-CG2 3.66Å; F610-I637 HydrophobicContact CE2-CB 4.41Å; F610-I637 HydrophobicContact CE2-CG2 3.87Å; F610-I638 HydrophobicContact CB-CG2 4.04Å; F610-I638 HydrophobicContact CD1-CG2 3.9Å; F610-I638 HydrophobicContact CD2-CG2 4Å; F610-I638 HydrophobicContact CE1-CD1 4.34Å; F610-I638 HydrophobicContact CE1-CG2 4.36Å; F610-I638 HydrophobicContact CE2-CG2 4.46Å; F610-I638 HydrophobicContact CG-CG2 3.71Å |
| 611 | T | 83.3 | Confident | 76.6 | Confident | 28 Ų | 28 | 64.4 Ų | 64.4 | 17% | 0.172 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 165.5 | -179.4 | 49.1 | 0 | 0 | 0 | 0 | 107.5 | G602 R603 S613 H614 | G602-T611 WeakPolarHBondContact O-CA 3.27Å; G602-T611 WeakPolarHBondContact O-CG2 3.33Å; R603-T611 HydrophobicContact CG-CG2 3.64Å; T611-S613 PolarHBondContact O-N 2.03Å; T611-S613 PolarHBondContact OG1-OG 2.84Å; T611-H614 PolarHBondContact N-ND1 2.73Å; T611-H614 VanDerWaalsContact N-ND1 3.18Å; T611-H614 WeakPolarHBondContact O-CB 3.23Å; T611-H614 PolarHBondContact O-N 3.29Å; T611-H614 PolarHBondContact O-ND1 2.98Å; T611-H614 PolarHBondContact OG1-CE1 2.93Å; T611-H614 VanDerWaalsContact OG1-CE1 3.27Å; T611-H614 PolarHBondContact OG1-ND1 2.89Å |
| 612 | C | 80 | Confident | 77.2 | Confident | 44 Ų | 44 | 59.5 Ų | 59.5 | 30% | 0.297 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -51.7 | -24.8 | 178.2 | -63.5 | 0 | 0 | 0 | 0 | 115.6 | H614 C621 | C612-H614 PolarHBondContact O-N 2.9Å; C612-C621 WeakPolarHBondContact CA-SG 3.33Å; C612-C621 HydrophobicContact CB-CB 3.41Å; C612-C621 VanDerWaalsContact CB-CB 3.41Å; C612-C621 WeakPolarHBondContact CB-SG 3.38Å; C612-C621 WeakPolarHBondContact SG-CB 3.25Å; C612-C621 CovalentContact SG-SG 2.03Å; C612-C621 PolarHBondContact SG-SG 2.74Å |
| 613 | S | 80.3 | Confident | 77.6 | Confident | 104 Ų | 104 | 70 Ų | 70 | 73% | 0.727 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -74.8 | -5.5 | 175.5 | 58.8 | 0 | 0 | 0 | 0 | 114.8 | T611 | T611-S613 PolarHBondContact O-N 2.03Å; T611-S613 PolarHBondContact OG1-OG 2.84Å |
| 614 | H | 87.9 | Confident | 77 | Confident | 79 Ų | 79 | 70 Ų | 70 | 37% | 0.366 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -97.6 | -7.1 | 176.7 | -66 | 93.8 | 0 | 0 | 0 | 112.6 | F610 T611 C612 E616 I638 | F610-H614 HydrophobicContact CB-CB 4.36Å; F610-H614 HydrophobicContact CD1-CB 4.32Å; T611-H614 PolarHBondContact N-ND1 2.73Å; T611-H614 VanDerWaalsContact N-ND1 3.18Å; T611-H614 WeakPolarHBondContact O-CB 3.23Å; T611-H614 PolarHBondContact O-N 3.29Å; T611-H614 PolarHBondContact O-ND1 2.98Å; T611-H614 PolarHBondContact OG1-CE1 2.93Å; T611-H614 VanDerWaalsContact OG1-CE1 3.27Å; T611-H614 PolarHBondContact OG1-ND1 2.89Å; C612-H614 PolarHBondContact O-N 2.9Å; H614-E616 WeakPolarHBondContact O-CG 3.4Å; H614-E616 PolarHBondContact O-N 2.03Å; H614-E616 VanDerWaalsContact O-N 3.15Å; H614-I638 HydrophobicContact CB-CG2 3.92Å; H614-I638 WeakPolarHBondContact O-CB 3.37Å |
| 615 | C | 84.5 | Confident | 76.6 | Confident | 26 Ų | 26 | 74 Ų | 74 | 18% | 0.176 | 39% | 0.392 | C | S | . | . | trans | -64.7 | 115.5 | 177.2 | -57.1 | 0 | 0 | 0 | 0 | 110.2 | G619 C628 | C615-G619 WeakPolarHBondContact CB-O 3Å; C615-C628 WeakPolarHBondContact CA-SG 3.27Å; C615-C628 HydrophobicContact CB-CB 3.91Å; C615-C628 WeakPolarHBondContact CB-SG 3.45Å; C615-C628 WeakPolarHBondContact SG-CB 3.28Å; C615-C628 CovalentContact SG-SG 2.04Å; C615-C628 PolarHBondContact SG-SG 3.45Å | ||
| 616 | E | 81.5 | Confident | 76.7 | Confident | 103 Ų | 103 | 75.1 Ų | 75.1 | 48% | 0.481 | 40% | 0.396 | S | S | . | . | trans | -94.3 | 177.1 | -179.5 | -53 | -164.4 | 159.1 | 0 | 0 | 111.2 | H614 G618 G619 I638 | H614-E616 WeakPolarHBondContact O-CG 3.4Å; H614-E616 PolarHBondContact O-N 2.03Å; H614-E616 VanDerWaalsContact O-N 3.15Å; E616-G618 PolarHBondContact O-N 3.08Å; E616-G619 PolarHBondContact O-N 2.82Å; E616-I638 HydrophobicContact CG-CD1 4.45Å; E616-I638 PolarHBondContact N-O 2.02Å | ||
| 617 | N | 75.3 | Confident | 77.1 | Confident | 71 Ų | 71 | 69.7 Ų | 69.7 | 38% | 0.38 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | 32.6 | 168.8 | -59.2 | -47.7 | 0 | 0 | 0 | 116.2 | G619 Y634 C639 | N617-G619 VanDerWaalsContact C-N 3.34Å; N617-Y634 HydrophobicContact CB-CD1 3.48Å; N617-Y634 VanDerWaalsContact CB-CD1 3.48Å; N617-Y634 HydrophobicContact CB-CD2 3.89Å; N617-Y634 HydrophobicContact CB-CE1 3.54Å; N617-Y634 HydrophobicContact CB-CE2 3.96Å; N617-Y634 HydrophobicContact CB-CG 3.66Å; N617-C639 PolarHBondContact ND2-O 2.87Å |
| 618 | G | 67 | Low | 77.5 | Confident | 54 Ų | 54 | 65.7 Ų | 65.7 | 56% | 0.557 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.4 | -6.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | E616 R620 S631 | E616-G618 PolarHBondContact O-N 3.08Å; G618-R620 PolarHBondContact O-N 3.12Å; G618-S631 PolarHBondContact O-OG 2.93Å; G618-S631 VanDerWaalsContact O-OG 3.06Å |
| 619 | G | 75.4 | Confident | 77.9 | Confident | 11 Ų | 11 | 69.6 Ų | 69.6 | 11% | 0.113 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -54.8 | 128.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | C615 E616 N617 E629 | C615-G619 WeakPolarHBondContact CB-O 3Å; E616-G619 PolarHBondContact O-N 2.82Å; N617-G619 VanDerWaalsContact C-N 3.34Å; G619-E629 CarbonylContact C-O 3.53Å; G619-E629 VanDerWaalsContact CA-O 3.29Å; G619-E629 WeakPolarHBondContact CA-O 3.11Å |
| 620 | R | 80.6 | Confident | 78.1 | Confident | 173 Ų | 173 | 67.2 Ų | 67.2 | 65% | 0.653 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 146.8 | 177.4 | -63.9 | -172.5 | -178.1 | 173.2 | 8.3 | 109 | G618 N622 C628 E629 | G618-R620 PolarHBondContact O-N 3.12Å; R620-N622 PolarHBondContact O-N 2.92Å; R620-C628 CarbonylContact O-C 3.49Å; R620-C628 WeakPolarHBondContact O-CA 2.98Å; R620-E629 PolarHBondContact N-O 2.75Å; R620-E629 PolarHBondContact O-N 2.03Å |
| 621 | C | 80.4 | Confident | 78.1 | Confident | 35 Ų | 35 | 67 Ų | 67 | 24% | 0.236 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 133.3 | 171.9 | -152 | 0 | 0 | 0 | 0 | 109.2 | C612 L625 | C612-C621 WeakPolarHBondContact CA-SG 3.33Å; C612-C621 HydrophobicContact CB-CB 3.41Å; C612-C621 VanDerWaalsContact CB-CB 3.41Å; C612-C621 WeakPolarHBondContact CB-SG 3.38Å; C612-C621 WeakPolarHBondContact SG-CB 3.25Å; C612-C621 CovalentContact SG-SG 2.03Å; C612-C621 PolarHBondContact SG-SG 2.74Å; C621-L625 HydrophobicContact CB-CD2 4.49Å |
| 622 | N | 72.3 | Confident | 78.2 | Confident | 29 Ų | 29 | 67.5 Ų | 67.5 | 16% | 0.155 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 161.1 | -175.8 | 79.4 | 2 | 0 | 0 | 0 | 111.7 | R620 D624 L625 T626 G627 E629 | R620-N622 PolarHBondContact O-N 2.92Å; N622-D624 PolarHBondContact O-N 3.35Å; N622-D624 PolarHBondContact OD1-N 3.01Å; N622-L625 PolarHBondContact O-N 3Å; N622-L625 WeakPolarHBondContact OD1-CA 3.48Å; N622-L625 PolarHBondContact OD1-N 3.06Å; N622-T626 PolarHBondContact ND2-OG1 3.48Å; N622-T626 PolarHBondContact OD1-N 3.39Å; N622-T626 PolarHBondContact OD1-OG1 2.8Å; N622-G627 WeakPolarHBondContact CB-O 3Å; N622-G627 PolarHBondContact N-O 3.39Å; N622-G627 PolarHBondContact ND2-N 2.7Å; N622-G627 PolarHBondContact OD1-N 2.74Å; N622-E629 WeakPolarHBondContact CA-OE1 3.44Å; N622-E629 HydrophobicContact CB-CG 3.75Å; N622-E629 VanDerWaalsContact CB-OE1 3.25Å; N622-E629 WeakPolarHBondContact CB-OE1 3.46Å |
| 623 | R | 69.7 | Low | 78.2 | Confident | 239 Ų | 239 | 65.4 Ų | 65.4 | 90% | 0.902 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -21.4 | -171.6 | -148.6 | 175.5 | -173.5 | -173.6 | 1.8 | 114.8 | E629 | R623-E629 PolarHBondContact N-OE1 3Š|
| 624 | D | 66.1 | Low | 78.6 | Confident | 102 Ų | 102 | 62.7 Ų | 62.7 | 55% | 0.545 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -5.2 | 178.1 | -68.6 | -28.9 | 0 | 0 | 0 | 113.9 | N622 T626 | N622-D624 PolarHBondContact O-N 3.35Å; N622-D624 PolarHBondContact OD1-N 3.01Å; D624-T626 VanDerWaalsContact C-N 3.26Å; D624-T626 HydrophobicContact CB-CG2 3.99Å; D624-T626 PolarHBondContact O-N 2.8Å |
| 625 | L | 72.1 | Confident | 78.4 | Confident | 85 Ų | 85 | 62 Ų | 62 | 45% | 0.445 | 32% | 0.319 | S | S | . | . | S | Bend | trans | 59.4 | 29.9 | -172.1 | -43.3 | 176 | 0 | 0 | 0 | 114.2 | C621 N622 | C621-L625 HydrophobicContact CB-CD2 4.49Å; N622-L625 PolarHBondContact O-N 3Å; N622-L625 WeakPolarHBondContact OD1-CA 3.48Å; N622-L625 PolarHBondContact OD1-N 3.06Å |
| 626 | T | 71.8 | Confident | 78.3 | Confident | 36 Ų | 36 | 62.5 Ų | 62.5 | 22% | 0.221 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -104.8 | 0.6 | -177.5 | 54.7 | 0 | 0 | 0 | 0 | 114.4 | F604 N622 D624 | F604-T626 WeakPolarHBondContact CB-O 3.38Å; N622-T626 PolarHBondContact ND2-OG1 3.48Å; N622-T626 PolarHBondContact OD1-N 3.39Å; N622-T626 PolarHBondContact OD1-OG1 2.8Å; D624-T626 VanDerWaalsContact C-N 3.26Å; D624-T626 HydrophobicContact CB-CG2 3.99Å; D624-T626 PolarHBondContact O-N 2.8Å |
| 627 | G | 77.8 | Confident | 78.3 | Confident | 12 Ų | 12 | 61.6 Ų | 61.6 | 12% | 0.124 | 33% | 0.326 | C | S | . | . | S | Bend | trans | 174.8 | -175.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | N622 | N622-G627 WeakPolarHBondContact CB-O 3Å; N622-G627 PolarHBondContact N-O 3.39Å; N622-G627 PolarHBondContact ND2-N 2.7Å; N622-G627 PolarHBondContact OD1-N 2.74Å |
| 628 | C | 84.5 | Confident | 78.8 | Confident | 21 Ų | 21 | 59.1 Ų | 59.1 | 14% | 0.142 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 142.3 | 170.9 | -51.8 | 0 | 0 | 0 | 0 | 110.9 | F604 C615 R620 C639 | F604-C628 VanDerWaalsContact CZ-SG 3.59Å; C615-C628 WeakPolarHBondContact CA-SG 3.27Å; C615-C628 HydrophobicContact CB-CB 3.91Å; C615-C628 WeakPolarHBondContact CB-SG 3.45Å; C615-C628 WeakPolarHBondContact SG-CB 3.28Å; C615-C628 CovalentContact SG-SG 2.04Å; C615-C628 PolarHBondContact SG-SG 3.45Å; R620-C628 CarbonylContact O-C 3.49Å; R620-C628 WeakPolarHBondContact O-CA 2.98Å; C628-C639 VanDerWaalsContact CB-SG 3.54Å |
| 629 | E | 84.9 | Confident | 79.8 | Confident | 104 Ų | 104 | 56.5 Ų | 56.5 | 49% | 0.486 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 113.8 | 162 | -75.9 | 163.1 | -156.1 | 0 | 0 | 106.9 | G619 R620 N622 R623 | G619-E629 CarbonylContact C-O 3.53Å; G619-E629 VanDerWaalsContact CA-O 3.29Å; G619-E629 WeakPolarHBondContact CA-O 3.11Å; R620-E629 PolarHBondContact N-O 2.75Å; R620-E629 PolarHBondContact O-N 2.03Å; N622-E629 WeakPolarHBondContact CA-OE1 3.44Å; N622-E629 HydrophobicContact CB-CG 3.75Å; N622-E629 VanDerWaalsContact CB-OE1 3.25Å; N622-E629 WeakPolarHBondContact CB-OE1 3.46Å; R623-E629 PolarHBondContact N-OE1 3Å |
| 630 | C | 84.1 | Confident | 80.1 | Confident | 4 Ų | 4 | 59.7 Ų | 59.7 | 3% | 0.027 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -85.9 | 132.1 | -170.3 | -61.4 | 0 | 0 | 0 | 0 | 112.6 | Y634 C639 D651 | C630-Y634 WeakPolarHBondContact CB-O 3.34Å; C630-C639 WeakPolarHBondContact CA-SG 3.3Å; C630-C639 HydrophobicContact CB-CB 3.83Å; C630-C639 WeakPolarHBondContact CB-SG 3.46Å; C630-C639 WeakPolarHBondContact SG-CA 3.32Å; C630-C639 WeakPolarHBondContact SG-CB 3.13Å; C630-C639 CovalentContact SG-SG 2.04Å; C630-C639 PolarHBondContact SG-SG 3.33Å; C630-D651 PolarHBondContact N-OD1 3.36Å |
| 631 | S | 81 | Confident | 80.2 | Confident | 46 Ų | 46 | 56 Ų | 56 | 32% | 0.322 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 153.3 | 171.6 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | G618 G633 Y634 | G618-S631 PolarHBondContact O-OG 2.93Å; G618-S631 VanDerWaalsContact O-OG 3.06Å; S631-G633 PolarHBondContact O-N 3.19Å; S631-Y634 PolarHBondContact O-N 3.39Å; S631-Y634 VanDerWaalsContact O-N 3.14Å |
| 632 | S | 84.2 | Confident | 80.2 | Confident | 39 Ų | 39 | 61 Ų | 61 | 27% | 0.273 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 129.5 | 178.1 | -62.7 | 0 | 0 | 0 | 0 | 111.7 | G649 V650 V667 | S632-G649 VanDerWaalsContact CA-C 3.49Å; S632-G649 WeakPolarHBondContact CA-O 3.4Å; S632-V650 PolarHBondContact OG-N 3.5Å; S632-V667 VanDerWaalsContact CB-O 3.29Å; S632-V667 WeakPolarHBondContact CB-O 3.28Å |
| 633 | G | 81.6 | Confident | 80.7 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 101.4 | -6.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | S631 K642 C643 G649 S666 | S631-G633 PolarHBondContact O-N 3.19Å; G633-K642 WeakPolarHBondContact O-CA 3.46Å; G633-C643 WeakPolarHBondContact CA-SG 3.03Å; G633-C643 PolarHBondContact O-N 2.86Å; G633-C643 PolarHBondContact O-SG 3.34Å; G633-C643 VanDerWaalsContact O-SG 3.41Å; G633-G649 PolarHBondContact N-O 3.39Å; G633-S666 WeakPolarHBondContact CA-O 3.45Å; G633-S666 PolarHBondContact N-O 3.15Å |
| 634 | Y | 87.4 | Confident | 81.2 | Confident | 48 Ų | 48 | 51.9 Ų | 51.9 | 19% | 0.188 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 154.4 | -176 | -62.3 | -87 | 0 | 0 | 0 | 114 | N617 C630 S631 E641 K642 | N617-Y634 HydrophobicContact CB-CD1 3.48Å; N617-Y634 VanDerWaalsContact CB-CD1 3.48Å; N617-Y634 HydrophobicContact CB-CD2 3.89Å; N617-Y634 HydrophobicContact CB-CE1 3.54Å; N617-Y634 HydrophobicContact CB-CE2 3.96Å; N617-Y634 HydrophobicContact CB-CG 3.66Å; C630-Y634 WeakPolarHBondContact CB-O 3.34Å; S631-Y634 PolarHBondContact O-N 3.39Å; S631-Y634 VanDerWaalsContact O-N 3.14Å; Y634-E641 CarbonylContact C-O 3.5Å; Y634-E641 VanDerWaalsContact CA-O 3.27Å; Y634-E641 WeakPolarHBondContact CA-O 3.24Å; Y634-K642 HydrophobicContact CD1-CG 4.06Å; Y634-K642 HydrophobicContact CE1-CD 4.42Å; Y634-K642 HydrophobicContact CE1-CG 3.64Å |
| 635 | K | 84.8 | Confident | 81.7 | Confident | 65 Ų | 65 | 55.3 Ų | 55.3 | 28% | 0.283 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 175.2 | 174.5 | 70.3 | -173.8 | -179.3 | 75.6 | 0 | 110.3 | C639 E640 E641 C652 | K635-C639 CarbonylContact O-C 3.58Å; K635-C639 WeakPolarHBondContact O-CA 3.49Å; K635-E640 PolarHBondContact O-N 2.85Å; K635-E641 HydrophobicContact CG-CB 3.87Å; K635-E641 PolarHBondContact N-O 3.47Å; K635-E641 IonicContact NZ-OE2 3.15Å; K635-E641 PolarHBondContact NZ-OE2 3.43Å; K635-E641 WeakPolarHBondContact O-CA 3.48Å; K635-E641 WeakPolarHBondContact O-CB 3.36Å; K635-E641 PolarHBondContact O-N 3.41Å; K635-E641 VanDerWaalsContact O-O 3.08Å; K635-C652 HydrophobicContact CD-CB 4.47Å |
| 636 | G | 81.7 | Confident | 81.9 | Confident | 36 Ų | 36 | 52.5 Ų | 52.5 | 37% | 0.371 | 28% | 0.281 | S | S | . | . | S | Bend | trans | 121.6 | -174.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E640 | G636-E640 VanDerWaalsContact CA-OE2 3.26Å; G636-E640 WeakPolarHBondContact CA-OE2 3.49Å |
| 637 | I | 81.3 | Confident | 82.4 | Confident | 84 Ų | 84 | 52.6 Ų | 52.6 | 43% | 0.431 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -81 | -29.1 | 179.3 | -61.7 | 176.6 | 0 | 0 | 0 | 110.5 | F604 F610 E640 | F604-I637 HydrophobicContact CD2-CG2 4.17Å; F604-I637 HydrophobicContact CE2-CG2 4.37Å; F610-I637 HydrophobicContact CD2-CG2 3.66Å; F610-I637 HydrophobicContact CE2-CB 4.41Å; F610-I637 HydrophobicContact CE2-CG2 3.87Å; I637-E640 PolarHBondContact N-OE1 3.04Å; I637-E640 PolarHBondContact N-OE2 3.41Å |
| 638 | I | 86.6 | Confident | 82.8 | Confident | 18 Ų | 18 | 54.8 Ų | 54.8 | 9% | 0.092 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -123.9 | 17.8 | 178.2 | 57.9 | 168.4 | 0 | 0 | 0 | 112.2 | F604 F610 H614 E616 E640 | F604-I638 HydrophobicContact CE2-CG2 4.07Å; F610-I638 HydrophobicContact CB-CG2 4.04Å; F610-I638 HydrophobicContact CD1-CG2 3.9Å; F610-I638 HydrophobicContact CD2-CG2 4Å; F610-I638 HydrophobicContact CE1-CD1 4.34Å; F610-I638 HydrophobicContact CE1-CG2 4.36Å; F610-I638 HydrophobicContact CE2-CG2 4.46Å; F610-I638 HydrophobicContact CG-CG2 3.71Å; H614-I638 HydrophobicContact CB-CG2 3.92Å; H614-I638 WeakPolarHBondContact O-CB 3.37Å; E616-I638 HydrophobicContact CG-CD1 4.45Å; E616-I638 PolarHBondContact N-O 2.02Å; I638-E640 VanDerWaalsContact C-N 3.28Å; I638-E640 VanDerWaalsContact C-OE2 3.3Å; I638-E640 WeakPolarHBondContact CA-OE2 3.14Å; I638-E640 HydrophobicContact CD1-CB 4.41Å; I638-E640 HydrophobicContact CG1-CB 3.97Å; I638-E640 HydrophobicContact CG1-CG 4.08Å; I638-E640 VanDerWaalsContact CG1-OE2 3.28Å; I638-E640 WeakPolarHBondContact CG1-OE2 3.35Å; I638-E640 PolarHBondContact N-OE2 2.64Å; I638-E640 PolarHBondContact O-N 3.07Å |
| 639 | C | 86.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | S | Bend | trans | 64.3 | 27.4 | -177.9 | -48.1 | 0 | 0 | 0 | 0 | 114.5 | N617 C628 C630 K635 | N617-C639 PolarHBondContact ND2-O 2.87Å; C628-C639 VanDerWaalsContact CB-SG 3.54Å; C630-C639 WeakPolarHBondContact CA-SG 3.3Å; C630-C639 HydrophobicContact CB-CB 3.83Å; C630-C639 WeakPolarHBondContact CB-SG 3.46Å; C630-C639 WeakPolarHBondContact SG-CA 3.32Å; C630-C639 WeakPolarHBondContact SG-CB 3.13Å; C630-C639 CovalentContact SG-SG 2.04Å; C630-C639 PolarHBondContact SG-SG 3.33Å; K635-C639 CarbonylContact O-C 3.58Å; K635-C639 WeakPolarHBondContact O-CA 3.49Å |
| 640 | E | 82.4 | Confident | 82.3 | Confident | 77 Ų | 77 | 52.5 Ų | 52.5 | 36% | 0.36 | 28% | 0.277 | S | S | . | . | trans | -73 | -23.9 | -177.7 | 64.6 | -80.7 | -141.6 | 0 | 0 | 114.2 | K635 G636 I637 I638 | K635-E640 PolarHBondContact O-N 2.85Å; G636-E640 VanDerWaalsContact CA-OE2 3.26Å; G636-E640 WeakPolarHBondContact CA-OE2 3.49Å; I637-E640 PolarHBondContact N-OE1 3.04Å; I637-E640 PolarHBondContact N-OE2 3.41Å; I638-E640 VanDerWaalsContact C-N 3.28Å; I638-E640 VanDerWaalsContact C-OE2 3.3Å; I638-E640 WeakPolarHBondContact CA-OE2 3.14Å; I638-E640 HydrophobicContact CD1-CB 4.41Å; I638-E640 HydrophobicContact CG1-CB 3.97Å; I638-E640 HydrophobicContact CG1-CG 4.08Å; I638-E640 VanDerWaalsContact CG1-OE2 3.28Å; I638-E640 WeakPolarHBondContact CG1-OE2 3.35Å; I638-E640 PolarHBondContact N-OE2 2.64Å; I638-E640 PolarHBondContact O-N 3.07Å | ||
| 641 | E | 82.2 | Confident | 81.9 | Confident | 95 Ų | 95 | 55 Ų | 55 | 44% | 0.444 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 139.9 | -176 | -50.6 | -173.8 | 136.4 | 0 | 0 | 111.5 | Y634 K635 | Y634-E641 CarbonylContact C-O 3.5Å; Y634-E641 VanDerWaalsContact CA-O 3.27Å; Y634-E641 WeakPolarHBondContact CA-O 3.24Å; K635-E641 HydrophobicContact CG-CB 3.87Å; K635-E641 PolarHBondContact N-O 3.47Å; K635-E641 IonicContact NZ-OE2 3.15Å; K635-E641 PolarHBondContact NZ-OE2 3.43Å; K635-E641 WeakPolarHBondContact O-CA 3.48Å; K635-E641 WeakPolarHBondContact O-CB 3.36Å; K635-E641 PolarHBondContact O-N 3.41Å; K635-E641 VanDerWaalsContact O-O 3.08Å |
| 642 | K | 80.4 | Confident | 82 | Confident | 141 Ų | 141 | 53.1 Ų | 53.1 | 61% | 0.613 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 160.8 | 168.6 | -69.2 | -172.4 | 175.8 | -170.8 | 0 | 111.5 | G633 Y634 | G633-K642 WeakPolarHBondContact O-CA 3.46Å; Y634-K642 HydrophobicContact CD1-CG 4.06Å; Y634-K642 HydrophobicContact CE1-CD 4.42Å; Y634-K642 HydrophobicContact CE1-CG 3.64Å |
| 643 | C | 82.6 | Confident | 81.8 | Confident | 17 Ų | 17 | 58.1 Ų | 58.1 | 12% | 0.115 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 141.3 | 171.5 | -61.7 | 0 | 0 | 0 | 0 | 111.9 | G633 L647 C652 | G633-C643 WeakPolarHBondContact CA-SG 3.03Å; G633-C643 PolarHBondContact O-N 2.86Å; G633-C643 PolarHBondContact O-SG 3.34Å; G633-C643 VanDerWaalsContact O-SG 3.41Å; C643-L647 HydrophobicContact CB-CB 4.42Å; C643-L647 VanDerWaalsContact CB-O 3.23Å; C643-L647 WeakPolarHBondContact CB-O 3.26Å; C643-C652 WeakPolarHBondContact CA-SG 3.34Å; C643-C652 HydrophobicContact CB-CB 3.73Å; C643-C652 WeakPolarHBondContact CB-SG 3.21Å; C643-C652 VanDerWaalsContact SG-CA 3.53Å; C643-C652 WeakPolarHBondContact SG-CB 3.38Å; C643-C652 CovalentContact SG-SG 2.03Å; C643-C652 PolarHBondContact SG-SG 3.26Å |
| 644 | P | 80.7 | Confident | 81.6 | Confident | 59 Ų | 59 | 62.8 Ų | 62.8 | 38% | 0.383 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 155.4 | 166.8 | -17.5 | 32.2 | 0 | 0 | 0 | 110.5 | G646 L647 | P644-G646 PolarHBondContact O-N 2.87Å; P644-L647 HydrophobicContact CB-CD1 4.31Å; P644-L647 HydrophobicContact CG-CD1 4.05Å; P644-L647 PolarHBondContact O-N 3.16Å; P644-L647 VanDerWaalsContact O-N 3.1Å |
| 645 | K | 76.3 | Confident | 81.3 | Confident | 174 Ų | 174 | 69.3 Ų | 69.3 | 76% | 0.757 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 138.8 | 171.8 | -66.9 | -176.1 | 164.4 | -103.6 | 0 | 110.7 | L647 D663 | K645-L647 VanDerWaalsContact C-N 3.34Å; K645-D663 WeakPolarHBondContact CA-OD1 3.41Å; K645-D663 WeakPolarHBondContact CD-OD2 3.35Å; K645-D663 WeakPolarHBondContact CE-OD2 3.47Å; K645-D663 WeakPolarHBondContact CG-OD2 3.5Å; K645-D663 IonicContact NZ-OD2 3.43Å; K645-D663 PolarHBondContact NZ-OD2 3.35Å |
| 646 | G | 75.9 | Confident | 80.9 | Confident | 27 Ų | 27 | 67.5 Ų | 67.5 | 28% | 0.278 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | 2.1 | -176 | 0 | 0 | 0 | 0 | 0 | 115.9 | P644 Y655 C656 D663 | P644-G646 PolarHBondContact O-N 2.87Å; G646-Y655 CarbonylContact O-C 3.51Å; G646-Y655 WeakPolarHBondContact O-CA 3.3Å; G646-C656 WeakPolarHBondContact CA-SG 3.37Å; G646-C656 PolarHBondContact O-N 2.77Å; G646-D663 PolarHBondContact N-OD1 2.84Å |
| 647 | L | 83.2 | Confident | 80.8 | Confident | 38 Ų | 38 | 70.1 Ų | 70.1 | 20% | 0.199 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 144.8 | 178.3 | -69 | 171.4 | 0 | 0 | 0 | 113.1 | C643 P644 K645 C652 Q654 Y655 | C643-L647 HydrophobicContact CB-CB 4.42Å; C643-L647 VanDerWaalsContact CB-O 3.23Å; C643-L647 WeakPolarHBondContact CB-O 3.26Å; P644-L647 HydrophobicContact CB-CD1 4.31Å; P644-L647 HydrophobicContact CG-CD1 4.05Å; P644-L647 PolarHBondContact O-N 3.16Å; P644-L647 VanDerWaalsContact O-N 3.1Å; K645-L647 VanDerWaalsContact C-N 3.34Å; L647-C652 HydrophobicContact CB-CB 4.3Å; L647-Q654 CarbonylContact C-O 3.49Å; L647-Q654 VanDerWaalsContact CA-O 3.27Å; L647-Q654 WeakPolarHBondContact CA-O 3.02Å; L647-Q654 WeakPolarHBondContact CD2-O 3.02Å; L647-Y655 HydrophobicContact CD2-CD1 3.57Å; L647-Y655 HydrophobicContact CD2-CD2 4.3Å; L647-Y655 HydrophobicContact CD2-CE1 3.62Å; L647-Y655 HydrophobicContact CD2-CE2 4.33Å; L647-Y655 HydrophobicContact CD2-CG 3.93Å |
| 648 | W | 85.8 | Confident | 80.6 | Confident | 57 Ų | 57 | 67.4 Ų | 67.4 | 22% | 0.216 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 175.1 | -178.8 | 70.8 | -81 | 0 | 0 | 0 | 113.3 | C652 K653 Q654 Y655 S666 T668 G669 | W648-C652 CarbonylContact O-C 3.57Å; W648-K653 PolarHBondContact O-N 3.5Å; W648-Q654 HydrophobicContact CD2-CB 3.89Å; W648-Q654 HydrophobicContact CG-CB 4.11Å; W648-Q654 HydrophobicContact CZ2-CB 4.01Å; W648-Q654 HydrophobicContact CZ2-CG 4.49Å; W648-Q654 VanDerWaalsContact CZ2-OE1 3.29Å; W648-Q654 PolarHBondContact N-O 2.79Å; W648-Q654 PolarHBondContact O-N 2.04Å; W648-Y655 VanDerWaalsContact CD1-C 3.49Å; W648-Y655 PolarHBondContact NE1-O 3.5Å; W648-S666 CarbonylContact C-O 3.52Å; W648-S666 VanDerWaalsContact CA-O 3.23Å; W648-S666 WeakPolarHBondContact CA-O 3.35Å; W648-S666 WeakPolarHBondContact CB-O 3.41Å; W648-T668 VanDerWaalsContact CE3-C 3.47Å; W648-T668 WeakPolarHBondContact CZ3-O 3.42Å; W648-G669 VanDerWaalsContact CE3-N 3.33Å; W648-G669 VanDerWaalsContact CG-CA 3.48Å |
| 649 | G | 78.4 | Confident | 79.8 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | S | Bend | trans | 79.7 | -173.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | S632 G633 D651 C652 S666 | S632-G649 VanDerWaalsContact CA-C 3.49Å; S632-G649 WeakPolarHBondContact CA-O 3.4Å; G633-G649 PolarHBondContact N-O 3.39Å; G649-D651 PolarHBondContact O-N 3.24Å; G649-C652 WeakPolarHBondContact O-CA 3.21Å; G649-C652 PolarHBondContact O-N 3.1Å; G649-S666 PolarHBondContact N-O 3.37Å |
| 650 | V | 80.3 | Confident | 78.5 | Confident | 78 Ų | 78 | 73.6 Ų | 73.6 | 47% | 0.473 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -57.1 | 129.2 | -178 | 176.6 | 0 | 0 | 0 | 0 | 110.8 | S632 C652 K653 | S632-V650 PolarHBondContact OG-N 3.5Å; V650-C652 PolarHBondContact O-N 3.39Å; V650-K653 PolarHBondContact O-N 3.09Å |
| 651 | D | 75.1 | Confident | 77.5 | Confident | 55 Ų | 55 | 78.2 Ų | 78.2 | 29% | 0.294 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | 48.6 | 23.6 | -171.1 | -50.9 | -41.9 | 0 | 0 | 0 | 114.6 | C630 G649 K653 | C630-D651 PolarHBondContact N-OD1 3.36Å; G649-D651 PolarHBondContact O-N 3.24Å; D651-K653 VanDerWaalsContact C-N 3.32Å; D651-K653 HydrophobicContact CB-CD 4.01Å; D651-K653 HydrophobicContact CB-CG 4.18Å; D651-K653 PolarHBondContact O-N 3.21Å; D651-K653 WeakPolarHBondContact OD2-CE 3.04Å; D651-K653 IonicContact OD2-NZ 2.67Å; D651-K653 PolarHBondContact OD2-NZ 2.87Å |
| 652 | C | 83.2 | Confident | 76.9 | Confident | 8 Ų | 8 | 74.7 Ų | 74.7 | 5% | 0.054 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | 58.1 | 35.8 | -178.6 | -50.9 | 0 | 0 | 0 | 0 | 114.8 | K635 C643 L647 W648 G649 V650 | K635-C652 HydrophobicContact CD-CB 4.47Å; C643-C652 WeakPolarHBondContact CA-SG 3.34Å; C643-C652 HydrophobicContact CB-CB 3.73Å; C643-C652 WeakPolarHBondContact CB-SG 3.21Å; C643-C652 VanDerWaalsContact SG-CA 3.53Å; C643-C652 WeakPolarHBondContact SG-CB 3.38Å; C643-C652 CovalentContact SG-SG 2.03Å; C643-C652 PolarHBondContact SG-SG 3.26Å; L647-C652 HydrophobicContact CB-CB 4.3Å; W648-C652 CarbonylContact O-C 3.57Å; G649-C652 WeakPolarHBondContact O-CA 3.21Å; G649-C652 PolarHBondContact O-N 3.1Å; V650-C652 PolarHBondContact O-N 3.39Å |
| 653 | K | 80.3 | Confident | 76.6 | Confident | 144 Ų | 144 | 70.2 Ų | 70.2 | 63% | 0.626 | 36% | 0.362 | S | S | * | . | trans | -86 | -10 | -172.9 | -73.7 | 165.2 | 177 | 155.9 | 0 | 115.8 | W648 V650 D651 | W648-K653 PolarHBondContact O-N 3.5Å; V650-K653 PolarHBondContact O-N 3.09Å; D651-K653 VanDerWaalsContact C-N 3.32Å; D651-K653 HydrophobicContact CB-CD 4.01Å; D651-K653 HydrophobicContact CB-CG 4.18Å; D651-K653 PolarHBondContact O-N 3.21Å; D651-K653 WeakPolarHBondContact OD2-CE 3.04Å; D651-K653 IonicContact OD2-NZ 2.67Å; D651-K653 PolarHBondContact OD2-NZ 2.87Å | ||
| 654 | Q | 78 | Confident | 76.5 | Confident | 98 Ų | 98 | 69.8 Ų | 69.8 | 46% | 0.458 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 145 | -178.2 | -57.9 | -167.1 | 64.3 | 0 | 0 | 110.8 | L647 W648 | L647-Q654 CarbonylContact C-O 3.49Å; L647-Q654 VanDerWaalsContact CA-O 3.27Å; L647-Q654 WeakPolarHBondContact CA-O 3.02Å; L647-Q654 WeakPolarHBondContact CD2-O 3.02Å; W648-Q654 HydrophobicContact CD2-CB 3.89Å; W648-Q654 HydrophobicContact CG-CB 4.11Å; W648-Q654 HydrophobicContact CZ2-CB 4.01Å; W648-Q654 HydrophobicContact CZ2-CG 4.49Å; W648-Q654 VanDerWaalsContact CZ2-OE1 3.29Å; W648-Q654 PolarHBondContact N-O 2.79Å; W648-Q654 PolarHBondContact O-N 2.04Å |
| 655 | Y | 81.5 | Confident | 76.5 | Confident | 184 Ų | 184 | 69.3 Ų | 69.3 | 72% | 0.722 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 145.6 | 178.7 | -71.1 | -90.1 | 0 | 0 | 0 | 111.7 | G646 L647 W648 | G646-Y655 CarbonylContact O-C 3.51Å; G646-Y655 WeakPolarHBondContact O-CA 3.3Å; L647-Y655 HydrophobicContact CD2-CD1 3.57Å; L647-Y655 HydrophobicContact CD2-CD2 4.3Å; L647-Y655 HydrophobicContact CD2-CE1 3.62Å; L647-Y655 HydrophobicContact CD2-CE2 4.33Å; L647-Y655 HydrophobicContact CD2-CG 3.93Å; W648-Y655 VanDerWaalsContact CD1-C 3.49Å; W648-Y655 PolarHBondContact NE1-O 3.5Å |
| 656 | C | 75.8 | Confident | 76.5 | Confident | 28 Ų | 28 | 62.5 Ų | 62.5 | 19% | 0.189 | 33% | 0.328 | C | S | . | . | trans | -67.2 | 128.9 | 171.9 | -64 | 0 | 0 | 0 | 0 | 110.7 | G646 C658 C664 | G646-C656 WeakPolarHBondContact CA-SG 3.37Å; G646-C656 PolarHBondContact O-N 2.77Å; C656-C658 PolarHBondContact O-N 2.78Å; C656-C664 VanDerWaalsContact CA-SG 3.55Å; C656-C664 HydrophobicContact CB-CB 3.66Å; C656-C664 WeakPolarHBondContact CB-SG 3.3Å; C656-C664 WeakPolarHBondContact SG-CB 3.46Å; C656-C664 PolarHBondContact SG-N 2.77Å; C656-C664 CovalentContact SG-SG 2.03Å; C656-C664 PolarHBondContact SG-SG 2.04Å | ||
| 657 | D | 79.4 | Confident | 76.5 | Confident | 90 Ų | 90 | 64.5 Ų | 64.5 | 48% | 0.481 | 34% | 0.335 | S | S | . | . | trans | -103.2 | 59.4 | -176.7 | -175.7 | 27.4 | 0 | 0 | 0 | 111.3 | R681 | D657-R681 VanDerWaalsContact CG-CZ 3.48Å; D657-R681 WeakPolarHBondContact O-CB 3.39Å; D657-R681 WeakPolarHBondContact O-CG 3.01Å; D657-R681 IonicContact OD1-CZ 2.7Å; D657-R681 IonicContact OD1-NE 3.2Å; D657-R681 PolarHBondContact OD1-NE 3.23Å; D657-R681 VanDerWaalsContact OD1-NE 3.1Å; D657-R681 IonicContact OD1-NH1 2.6Å; D657-R681 IonicContact OD1-NH2 2.66Å; D657-R681 PolarHBondContact OD1-NH2 2.86Å; D657-R681 IonicContact OD2-CZ 3.77Å; D657-R681 IonicContact OD2-NE 3.93Å; D657-R681 PolarHBondContact OD2-NE 3.17Å; D657-R681 IonicContact OD2-NH2 2.81Å; D657-R681 PolarHBondContact OD2-NH2 2.94Å | ||
| 658 | C | 78.4 | Confident | 76.3 | Confident | 27 Ų | 27 | 66.4 Ų | 66.4 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | trans | -119.3 | 142.9 | -165.9 | -51.8 | 0 | 0 | 0 | 0 | 113.1 | C656 V662 C671 | C656-C658 PolarHBondContact O-N 2.78Å; C658-V662 HydrophobicContact CB-CB 4.12Å; C658-V662 WeakPolarHBondContact CB-O 3.48Å; C658-C671 WeakPolarHBondContact CA-SG 3.49Å; C658-C671 HydrophobicContact CB-CB 3.85Å; C658-C671 WeakPolarHBondContact CB-SG 3.4Å; C658-C671 VanDerWaalsContact SG-CA 3.58Å; C658-C671 WeakPolarHBondContact SG-CB 3.32Å; C658-C671 CovalentContact SG-SG 2.03Å; C658-C671 PolarHBondContact SG-SG 2.79Å | ||
| 659 | A | 69.4 | Low | 75.9 | Confident | 27 Ų | 27 | 64.4 Ų | 64.4 | 22% | 0.223 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -84.3 | 120.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R677 R681 E683 | A659-R677 PolarHBondContact O-NH1 3.23Å; A659-R681 WeakPolarHBondContact CB-O 3.36Å; A659-R681 PolarHBondContact N-O 3.38Å; A659-E683 HydrophobicContact CB-CB 4.43Å |
| 660 | N | 60.2 | Low | 75.9 | Confident | 122 Ų | 122 | 69 Ų | 69 | 65% | 0.652 | 37% | 0.373 | S | S | * | . | S | Bend | trans | 68.7 | 61.4 | 178.2 | -51.5 | 4.8 | 0 | 0 | 0 | 113.9 | V662 R677 | N660-V662 PolarHBondContact O-N 2.78Å; N660-R677 PolarHBondContact ND2-NH2 2.87Å |
| 661 | D | 61.1 | Low | 75.8 | Confident | 173 Ų | 173 | 65.9 Ų | 65.9 | 93% | 0.925 | 35% | 0.354 | S | S | * | . | S | Bend | trans | 53.8 | 28.1 | 171.3 | -52.6 | -38 | 0 | 0 | 0 | 115.2 | D663 | D661-D663 PolarHBondContact O-N 2.85Š|
| 662 | V | 68.4 | Low | 75.8 | Confident | 21 Ų | 21 | 69 Ų | 69 | 13% | 0.127 | 37% | 0.367 | C | S | . | . | trans | -75.8 | 121 | 172.3 | 174.8 | 0 | 0 | 0 | 0 | 108.6 | C658 N660 C671 Q672 P674 | C658-V662 HydrophobicContact CB-CB 4.12Å; C658-V662 WeakPolarHBondContact CB-O 3.48Å; N660-V662 PolarHBondContact O-N 2.78Å; V662-C671 HydrophobicContact CG1-CB 4.43Å; V662-Q672 VanDerWaalsContact CG1-O 3.28Å; V662-Q672 WeakPolarHBondContact CG1-O 3.41Å; V662-P674 HydrophobicContact CG2-CG 4.39Å | ||
| 663 | D | 74.6 | Confident | 75.2 | Confident | 47 Ų | 47 | 70.6 Ų | 70.6 | 25% | 0.251 | 38% | 0.378 | S | S | . | . | trans | -60.3 | 149.1 | 176.1 | -119.9 | -29.7 | 0 | 0 | 0 | 111 | K645 G646 D661 Q672 | K645-D663 WeakPolarHBondContact CA-OD1 3.41Å; K645-D663 WeakPolarHBondContact CD-OD2 3.35Å; K645-D663 WeakPolarHBondContact CE-OD2 3.47Å; K645-D663 WeakPolarHBondContact CG-OD2 3.5Å; K645-D663 IonicContact NZ-OD2 3.43Å; K645-D663 PolarHBondContact NZ-OD2 3.35Å; G646-D663 PolarHBondContact N-OD1 2.84Å; D661-D663 PolarHBondContact O-N 2.85Å; D663-Q672 WeakPolarHBondContact O-CB 3.41Å; D663-Q672 PolarHBondContact O-N 3.42Å | ||
| 664 | C | 80.4 | Confident | 74.5 | Confident | 8 Ų | 8 | 67 Ų | 67 | 5% | 0.054 | 37% | 0.369 | C | S | . | . | B | Isolated β-bridge | trans | -109.4 | 156.7 | 170.9 | 77.9 | 0 | 0 | 0 | 0 | 112 | C656 S666 G669 V670 | C656-C664 VanDerWaalsContact CA-SG 3.55Å; C656-C664 HydrophobicContact CB-CB 3.66Å; C656-C664 WeakPolarHBondContact CB-SG 3.3Å; C656-C664 WeakPolarHBondContact SG-CB 3.46Å; C656-C664 PolarHBondContact SG-N 2.77Å; C656-C664 CovalentContact SG-SG 2.03Å; C656-C664 PolarHBondContact SG-SG 2.04Å; C664-S666 PolarHBondContact O-N 2.04Å; C664-G669 WeakPolarHBondContact CB-O 3.35Å; C664-V670 CarbonylContact C-O 3.59Å; C664-V670 WeakPolarHBondContact CA-O 3.44Å |
| 665 | D | 79.9 | Confident | 73.5 | Confident | 49 Ų | 49 | 69.1 Ų | 69.1 | 26% | 0.262 | 38% | 0.383 | S | S | . | . | trans | -60.7 | 122.4 | 171 | 175.4 | -96 | 0 | 0 | 0 | 110.3 | V667 T668 G669 V670 | D665-V667 PolarHBondContact O-N 3.34Å; D665-V667 VanDerWaalsContact O-N 3.14Å; D665-V667 WeakPolarHBondContact OD1-CB 3.38Å; D665-V667 PolarHBondContact OD1-N 3.09Å; D665-V667 VanDerWaalsContact OD1-N 3.09Å; D665-T668 WeakPolarHBondContact CB-OG1 3.03Å; D665-T668 PolarHBondContact O-N 2.81Å; D665-T668 WeakPolarHBondContact OD1-CB 3.01Å; D665-T668 PolarHBondContact OD1-N 3.42Å; D665-T668 PolarHBondContact OD1-OG1 3.07Å; D665-G669 WeakPolarHBondContact O-CA 3.39Å; D665-G669 PolarHBondContact O-N 2.95Å; D665-V670 PolarHBondContact N-O 3.39Å | ||
| 666 | S | 76.7 | Confident | 72.5 | Confident | 32 Ų | 32 | 61 Ų | 61 | 22% | 0.224 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -20.1 | -171.9 | 55.1 | 0 | 0 | 0 | 0 | 113.9 | G633 W648 G649 C664 | G633-S666 WeakPolarHBondContact CA-O 3.45Å; G633-S666 PolarHBondContact N-O 3.15Å; W648-S666 CarbonylContact C-O 3.52Å; W648-S666 VanDerWaalsContact CA-O 3.23Å; W648-S666 WeakPolarHBondContact CA-O 3.35Å; W648-S666 WeakPolarHBondContact CB-O 3.41Å; G649-S666 PolarHBondContact N-O 3.37Å; C664-S666 PolarHBondContact O-N 2.04Å |
| 667 | V | 76 | Confident | 72.3 | Confident | 69 Ų | 69 | 63.3 Ų | 63.3 | 42% | 0.418 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -43.6 | 180 | -171.7 | 0 | 0 | 0 | 0 | 110.7 | S632 D665 | S632-V667 VanDerWaalsContact CB-O 3.29Å; S632-V667 WeakPolarHBondContact CB-O 3.28Å; D665-V667 PolarHBondContact O-N 3.34Å; D665-V667 VanDerWaalsContact O-N 3.14Å; D665-V667 WeakPolarHBondContact OD1-CB 3.38Å; D665-V667 PolarHBondContact OD1-N 3.09Å; D665-V667 VanDerWaalsContact OD1-N 3.09Å |
| 668 | T | 79.9 | Confident | 71.8 | Confident | 78 Ų | 78 | 61.9 Ų | 61.9 | 48% | 0.479 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | -13.1 | -165.4 | 60.4 | 0 | 0 | 0 | 0 | 115.2 | W648 D665 V670 | W648-T668 VanDerWaalsContact CE3-C 3.47Å; W648-T668 WeakPolarHBondContact CZ3-O 3.42Å; D665-T668 WeakPolarHBondContact CB-OG1 3.03Å; D665-T668 PolarHBondContact O-N 2.81Å; D665-T668 WeakPolarHBondContact OD1-CB 3.01Å; D665-T668 PolarHBondContact OD1-N 3.42Å; D665-T668 PolarHBondContact OD1-OG1 3.07Å; T668-V670 PolarHBondContact O-N 3.06Å |
| 669 | G | 76.6 | Confident | 71.1 | Confident | 15 Ų | 15 | 61.9 Ų | 61.9 | 16% | 0.155 | 35% | 0.354 | C | S | . | . | trans | 77 | 1.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | W648 C664 D665 C671 | W648-G669 VanDerWaalsContact CE3-N 3.33Å; W648-G669 VanDerWaalsContact CG-CA 3.48Å; C664-G669 WeakPolarHBondContact CB-O 3.35Å; D665-G669 WeakPolarHBondContact O-CA 3.39Å; D665-G669 PolarHBondContact O-N 2.95Å; G669-C671 PolarHBondContact O-N 3.18Å | ||
| 670 | V | 78.9 | Confident | 70.8 | Confident | 96 Ų | 96 | 66.6 Ų | 66.6 | 58% | 0.582 | 38% | 0.381 | S | S | * | . | trans | -74.2 | 122.7 | -176.7 | 179.1 | 0 | 0 | 0 | 0 | 110.8 | C664 D665 T668 Q672 | C664-V670 CarbonylContact C-O 3.59Å; C664-V670 WeakPolarHBondContact CA-O 3.44Å; D665-V670 PolarHBondContact N-O 3.39Å; T668-V670 PolarHBondContact O-N 3.06Å; V670-Q672 PolarHBondContact O-N 3.46Å | ||
| 671 | C | 78.6 | Confident | 71.5 | Confident | 12 Ų | 12 | 66.7 Ų | 66.7 | 8% | 0.081 | 37% | 0.372 | C | S | . | . | B | Isolated β-bridge | trans | -63.7 | 129.3 | -179.2 | -56.6 | 0 | 0 | 0 | 0 | 112.5 | C658 V662 G669 C673 C682 | C658-C671 WeakPolarHBondContact CA-SG 3.49Å; C658-C671 HydrophobicContact CB-CB 3.85Å; C658-C671 WeakPolarHBondContact CB-SG 3.4Å; C658-C671 VanDerWaalsContact SG-CA 3.58Å; C658-C671 WeakPolarHBondContact SG-CB 3.32Å; C658-C671 CovalentContact SG-SG 2.03Å; C658-C671 PolarHBondContact SG-SG 2.79Å; V662-C671 HydrophobicContact CG1-CB 4.43Å; G669-C671 PolarHBondContact O-N 3.18Å; C671-C673 VanDerWaalsContact C-N 3.35Å; C671-C673 PolarHBondContact O-N 2.9Å; C671-C682 WeakPolarHBondContact CB-SG 3.46Å |
| 672 | Q | 75.4 | Confident | 72 | Confident | 121 Ų | 121 | 58.4 Ų | 58.4 | 57% | 0.565 | 33% | 0.328 | S | S | * | . | trans | -83.1 | 75.3 | -179 | -62.3 | -170.7 | -3.1 | 0 | 0 | 111 | V662 D663 V670 | V662-Q672 VanDerWaalsContact CG1-O 3.28Å; V662-Q672 WeakPolarHBondContact CG1-O 3.41Å; D663-Q672 WeakPolarHBondContact O-CB 3.41Å; D663-Q672 PolarHBondContact O-N 3.42Å; V670-Q672 PolarHBondContact O-N 3.46Å | ||
| 673 | C | 69 | Low | 72 | Confident | 42 Ų | 42 | 61.9 Ų | 61.9 | 28% | 0.284 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 127.9 | -171.1 | -55.3 | 0 | 0 | 0 | 0 | 113.4 | C671 R677 C682 | C671-C673 VanDerWaalsContact C-N 3.35Å; C671-C673 PolarHBondContact O-N 2.9Å; C673-R677 HydrophobicContact CB-CB 4.35Å; C673-R677 WeakPolarHBondContact CB-O 3.22Å; C673-C682 WeakPolarHBondContact CA-SG 3.41Å; C673-C682 HydrophobicContact CB-CB 3.78Å; C673-C682 WeakPolarHBondContact CB-SG 3.47Å; C673-C682 PolarHBondContact N-SG 3.4Å; C673-C682 WeakPolarHBondContact SG-CA 3.09Å; C673-C682 WeakPolarHBondContact SG-CB 3.01Å; C673-C682 CovalentContact SG-SG 2.03Å; C673-C682 PolarHBondContact SG-SG 2.6Å |
| 674 | P | 66.8 | Low | 71.4 | Confident | 68 Ų | 68 | 63.4 Ų | 63.4 | 44% | 0.442 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 149.5 | 176.1 | 28.2 | -34.8 | 0 | 0 | 0 | 111.2 | V662 G676 R677 | V662-P674 HydrophobicContact CG2-CG 4.39Å; P674-G676 PolarHBondContact O-N 3.43Å; P674-R677 PolarHBondContact O-N 2.96Å |
| 675 | L | 57.2 | Low | 70.6 | Confident | 142 Ų | 142 | 68 Ų | 68 | 74% | 0.743 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.8 | 121.9 | -175.3 | -62.9 | 174 | 0 | 0 | 0 | 112.4 | ||
| 676 | G | 59.8 | Low | 69.8 | Low | 13 Ų | 13 | 66.3 Ų | 66.3 | 13% | 0.134 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | 15.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | P674 G686 | P674-G676 PolarHBondContact O-N 3.43Å; G676-G686 CarbonylContact C-O 3.59Å; G676-G686 WeakPolarHBondContact CA-O 3.31Å; G676-G686 PolarHBondContact O-N 3.32Å |
| 677 | R | 71.6 | Confident | 69.3 | Low | 78 Ų | 78 | 65.8 Ų | 65.8 | 29% | 0.294 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 152.7 | 162.5 | -81.5 | 178.6 | 164.1 | -146 | 15.6 | 111.7 | A659 N660 C673 P674 C682 L684 G686 | A659-R677 PolarHBondContact O-NH1 3.23Å; N660-R677 PolarHBondContact ND2-NH2 2.87Å; C673-R677 HydrophobicContact CB-CB 4.35Å; C673-R677 WeakPolarHBondContact CB-O 3.22Å; P674-R677 PolarHBondContact O-N 2.96Å; R677-C682 WeakPolarHBondContact CD-O 3.2Å; R677-C682 PolarHBondContact NH1-O 3.05Å; R677-L684 CarbonylContact C-O 3.49Å; R677-L684 VanDerWaalsContact CA-O 3.24Å; R677-L684 WeakPolarHBondContact CA-O 3.32Å; R677-G686 PolarHBondContact N-O 2.79Å |
| 678 | H | 68.6 | Low | 68.8 | Low | 60 Ų | 60 | 67.8 Ų | 67.8 | 28% | 0.278 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | -169.7 | 172.1 | 71.3 | 110.1 | 0 | 0 | 0 | 110 | C682 E683 L684 Q688 | H678-C682 CarbonylContact O-C 3.36Å; H678-C682 WeakPolarHBondContact O-CA 3.34Å; H678-E683 PolarHBondContact O-N 3.45Å; H678-L684 PolarHBondContact N-O 2.93Å; H678-L684 WeakPolarHBondContact O-CA 3.47Å; H678-L684 WeakPolarHBondContact O-CB 3.38Å; H678-L684 PolarHBondContact O-N 3.28Å; H678-Q688 HydrophobicContact CB-CB 4.39Å |
| 679 | G | 63.2 | Low | 68 | Low | 26 Ų | 26 | 67.5 Ų | 67.5 | 27% | 0.268 | 38% | 0.383 | S | S | . | . | S | Bend | trans | 96.2 | 158.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | R681 C682 E683 | G679-R681 PolarHBondContact O-N 2.03Å; G679-C682 PolarHBondContact O-N 2.87Å; G679-E683 VanDerWaalsContact C-OE2 3.29Å; G679-E683 WeakPolarHBondContact CA-OE2 3.45Å |
| 680 | T | 63.7 | Low | 67.5 | Low | 127 Ų | 127 | 67.4 Ų | 67.4 | 78% | 0.779 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -18.8 | -172.3 | 49.5 | 0 | 0 | 0 | 0 | 113.3 | E683 | T680-E683 PolarHBondContact N-OE2 3.39Š|
| 681 | R | 74.8 | Confident | 67.1 | Low | 123 Ų | 123 | 65.9 Ų | 65.9 | 46% | 0.464 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 14.3 | 172.1 | -52.6 | -169 | 164.2 | 176 | -14.8 | 112.3 | D657 A659 G679 E683 | D657-R681 VanDerWaalsContact CG-CZ 3.48Å; D657-R681 WeakPolarHBondContact O-CB 3.39Å; D657-R681 WeakPolarHBondContact O-CG 3.01Å; D657-R681 IonicContact OD1-CZ 2.7Å; D657-R681 IonicContact OD1-NE 3.2Å; D657-R681 PolarHBondContact OD1-NE 3.23Å; D657-R681 VanDerWaalsContact OD1-NE 3.1Å; D657-R681 IonicContact OD1-NH1 2.6Å; D657-R681 IonicContact OD1-NH2 2.66Å; D657-R681 PolarHBondContact OD1-NH2 2.86Å; D657-R681 IonicContact OD2-CZ 3.77Å; D657-R681 IonicContact OD2-NE 3.93Å; D657-R681 PolarHBondContact OD2-NE 3.17Å; D657-R681 IonicContact OD2-NH2 2.81Å; D657-R681 PolarHBondContact OD2-NH2 2.94Å; A659-R681 WeakPolarHBondContact CB-O 3.36Å; A659-R681 PolarHBondContact N-O 3.38Å; G679-R681 PolarHBondContact O-N 2.03Å; R681-E683 VanDerWaalsContact C-OE2 3.3Å; R681-E683 VanDerWaalsContact CA-OE2 3.31Å; R681-E683 WeakPolarHBondContact CA-OE2 3.34Å; R681-E683 HydrophobicContact CB-CB 4.49Å; R681-E683 WeakPolarHBondContact CB-OE2 3.2Å; R681-E683 PolarHBondContact N-OE2 2.94Å; R681-E683 PolarHBondContact O-N 3.24Å |
| 682 | C | 71.6 | Confident | 66.9 | Low | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 37% | 0.373 | C | S | . | . | S | Bend | trans | 56.2 | 30.5 | -170.4 | -50.6 | 0 | 0 | 0 | 0 | 114.4 | C671 C673 R677 H678 G679 | C671-C682 WeakPolarHBondContact CB-SG 3.46Å; C673-C682 WeakPolarHBondContact CA-SG 3.41Å; C673-C682 HydrophobicContact CB-CB 3.78Å; C673-C682 WeakPolarHBondContact CB-SG 3.47Å; C673-C682 PolarHBondContact N-SG 3.4Å; C673-C682 WeakPolarHBondContact SG-CA 3.09Å; C673-C682 WeakPolarHBondContact SG-CB 3.01Å; C673-C682 CovalentContact SG-SG 2.03Å; C673-C682 PolarHBondContact SG-SG 2.6Å; R677-C682 WeakPolarHBondContact CD-O 3.2Å; R677-C682 PolarHBondContact NH1-O 3.05Å; H678-C682 CarbonylContact O-C 3.36Å; H678-C682 WeakPolarHBondContact O-CA 3.34Å; G679-C682 PolarHBondContact O-N 2.87Å |
| 683 | E | 69 | Low | 66.5 | Low | 93 Ų | 93 | 61.8 Ų | 61.8 | 44% | 0.435 | 35% | 0.346 | S | S | . | . | trans | -83.9 | -19.3 | -175.2 | 76.2 | -71.8 | 179.6 | 0 | 0 | 113.9 | A659 H678 G679 T680 R681 | A659-E683 HydrophobicContact CB-CB 4.43Å; H678-E683 PolarHBondContact O-N 3.45Å; G679-E683 VanDerWaalsContact C-OE2 3.29Å; G679-E683 WeakPolarHBondContact CA-OE2 3.45Å; T680-E683 PolarHBondContact N-OE2 3.39Å; R681-E683 VanDerWaalsContact C-OE2 3.3Å; R681-E683 VanDerWaalsContact CA-OE2 3.31Å; R681-E683 WeakPolarHBondContact CA-OE2 3.34Å; R681-E683 HydrophobicContact CB-CB 4.49Å; R681-E683 WeakPolarHBondContact CB-OE2 3.2Å; R681-E683 PolarHBondContact N-OE2 2.94Å; R681-E683 PolarHBondContact O-N 3.24Å | ||
| 684 | L | 61.2 | Low | 66.4 | Low | 80 Ų | 80 | 65.2 Ų | 65.2 | 42% | 0.419 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 120.8 | -178.6 | -54.1 | 176.1 | 0 | 0 | 0 | 110.2 | R677 H678 | R677-L684 CarbonylContact C-O 3.49Å; R677-L684 VanDerWaalsContact CA-O 3.24Å; R677-L684 WeakPolarHBondContact CA-O 3.32Å; H678-L684 PolarHBondContact N-O 2.93Å; H678-L684 WeakPolarHBondContact O-CA 3.47Å; H678-L684 WeakPolarHBondContact O-CB 3.38Å; H678-L684 PolarHBondContact O-N 3.28Å |
| 685 | S | 64.7 | Low | 66.4 | Low | 104 Ų | 104 | 68 Ų | 68 | 73% | 0.727 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 113.7 | 176.6 | 58 | 0 | 0 | 0 | 0 | 111.2 | ||
| 686 | G | 62.5 | Low | 66.8 | Low | 14 Ų | 14 | 62.4 Ų | 62.4 | 14% | 0.144 | 35% | 0.347 | C | S | . | . | S | Bend | trans | 160.1 | 175.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | G676 R677 | G676-G686 CarbonylContact C-O 3.59Å; G676-G686 WeakPolarHBondContact CA-O 3.31Å; G676-G686 PolarHBondContact O-N 3.32Å; R677-G686 PolarHBondContact N-O 2.79Å |
| 687 | C | 65.9 | Low | 67.3 | Low | 21 Ų | 21 | 65.4 Ų | 65.4 | 14% | 0.142 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 153.5 | 160.5 | -57.2 | 0 | 0 | 0 | 0 | 109 | F691 C696 | C687-F691 HydrophobicContact CB-CB 4.11Å; C687-F691 WeakPolarHBondContact CB-O 3.04Å; C687-C696 WeakPolarHBondContact CA-SG 3.37Å; C687-C696 HydrophobicContact CB-CB 3.69Å; C687-C696 WeakPolarHBondContact CB-SG 3.16Å; C687-C696 VanDerWaalsContact SG-CA 3.53Å; C687-C696 WeakPolarHBondContact SG-CB 3.19Å; C687-C696 CovalentContact SG-SG 2.04Å; C687-C696 PolarHBondContact SG-SG 3.07Å |
| 688 | Q | 66.4 | Low | 67.3 | Low | 110 Ų | 110 | 67.4 Ų | 67.4 | 51% | 0.514 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 157.8 | 171.1 | 73.5 | 177.6 | -7 | 0 | 0 | 110.8 | H678 G690 F691 | H678-Q688 HydrophobicContact CB-CB 4.39Å; Q688-G690 PolarHBondContact O-N 2.98Å; Q688-F691 HydrophobicContact CG-CD2 3.53Å; Q688-F691 HydrophobicContact CG-CE2 4.08Å; Q688-F691 HydrophobicContact CG-CG 4.3Å; Q688-F691 PolarHBondContact O-N 3.49Å; Q688-F691 VanDerWaalsContact O-N 3.1Å |
| 689 | A | 63 | Low | 67.3 | Low | 72 Ų | 72 | 70.2 Ų | 70.2 | 60% | 0.595 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 132.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | N707 | A689-N707 CarbonylContact C-O 3.51Š|
| 690 | G | 65.4 | Low | 67.6 | Low | 14 Ų | 14 | 69.4 Ų | 69.4 | 14% | 0.144 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.7 | 1.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q688 L699 C700 N707 | Q688-G690 PolarHBondContact O-N 2.98Å; G690-L699 CarbonylContact O-C 3.51Å; G690-L699 VanDerWaalsContact O-CA 3.24Å; G690-L699 WeakPolarHBondContact O-CA 3.43Å; G690-C700 PolarHBondContact O-N 3.22Å; G690-N707 PolarHBondContact N-O 2.9Å |
| 691 | F | 70.5 | Confident | 67.7 | Low | 63 Ų | 63 | 65.3 Ų | 65.3 | 28% | 0.276 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 148.2 | -177.2 | -67.8 | -100.4 | 0 | 0 | 0 | 114.7 | C687 Q688 C696 R698 L699 | C687-F691 HydrophobicContact CB-CB 4.11Å; C687-F691 WeakPolarHBondContact CB-O 3.04Å; Q688-F691 HydrophobicContact CG-CD2 3.53Å; Q688-F691 HydrophobicContact CG-CE2 4.08Å; Q688-F691 HydrophobicContact CG-CG 4.3Å; Q688-F691 PolarHBondContact O-N 3.49Å; Q688-F691 VanDerWaalsContact O-N 3.1Å; F691-C696 WeakPolarHBondContact CD1-O 3.31Å; F691-R698 CarbonylContact C-O 3.05Å; F691-R698 VanDerWaalsContact CA-O 3.23Å; F691-R698 WeakPolarHBondContact CA-O 3.48Å; F691-L699 HydrophobicContact CD1-CG 4.47Å; F691-L699 HydrophobicContact CE1-CD1 4.25Å; F691-L699 HydrophobicContact CE1-CG 4.02Å; F691-L699 HydrophobicContact CZ-CG 4.21Å |
| 692 | W | 74.4 | Confident | 67 | Low | 48 Ų | 48 | 67.6 Ų | 67.6 | 18% | 0.182 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | -176.6 | 174.2 | 69.9 | -74.1 | 0 | 0 | 0 | 111.5 | C696 D697 R698 L699 D710 G714 | W692-C696 CarbonylContact O-C 3.54Å; W692-C696 WeakPolarHBondContact O-CA 3.15Å; W692-D697 PolarHBondContact O-N 2.73Å; W692-R698 VanDerWaalsContact CD1-O 3.28Å; W692-R698 HydrophobicContact CD2-CB 3.98Å; W692-R698 HydrophobicContact CG-CB 4.08Å; W692-R698 HydrophobicContact CZ2-CB 4.17Å; W692-R698 PolarHBondContact N-O 3.1Å; W692-R698 WeakPolarHBondContact O-CB 3.09Å; W692-R698 PolarHBondContact O-N 3.13Å; W692-L699 VanDerWaalsContact CD1-O 3.23Å; W692-L699 PolarHBondContact NE1-O 2.94Å; W692-D710 WeakPolarHBondContact CB-O 3.42Å; W692-G714 VanDerWaalsContact CE3-N 3.28Å |
| 693 | G | 68 | Low | 66.4 | Low | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 39% | 0.391 | C | S | . | . | S | Bend | trans | 99.9 | 164.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q695 C696 R711 | G693-Q695 PolarHBondContact O-N 2.85Å; G693-C696 PolarHBondContact O-N 3.29Å; G693-R711 PolarHBondContact N-O 2.83Å |
| 694 | P | 65.8 | Low | 66.1 | Low | 113 Ų | 113 | 67.6 Ų | 67.6 | 73% | 0.734 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -21.5 | -176.3 | 27.4 | -35 | 0 | 0 | 0 | 113.3 | ||
| 695 | Q | 66.3 | Low | 65.8 | Low | 126 Ų | 126 | 67.1 Ų | 67.1 | 59% | 0.589 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | 7.4 | 175.4 | -63.9 | -179.2 | -26.8 | 0 | 0 | 112.8 | G693 D697 | G693-Q695 PolarHBondContact O-N 2.85Å; Q695-D697 HydrophobicContact CB-CB 4.05Å; Q695-D697 WeakPolarHBondContact CB-OD1 3.39Å; Q695-D697 PolarHBondContact N-OD1 2.83Å; Q695-D697 VanDerWaalsContact N-OD1 3.1Å; Q695-D697 PolarHBondContact O-N 3.48Å |
| 696 | C | 66.2 | Low | 65.5 | Low | 25 Ų | 25 | 64.4 Ų | 64.4 | 17% | 0.169 | 36% | 0.358 | C | S | . | . | S | Bend | trans | 55.3 | 31 | -165.7 | -56.7 | 0 | 0 | 0 | 0 | 112.7 | C687 F691 W692 G693 | C687-C696 WeakPolarHBondContact CA-SG 3.37Å; C687-C696 HydrophobicContact CB-CB 3.69Å; C687-C696 WeakPolarHBondContact CB-SG 3.16Å; C687-C696 VanDerWaalsContact SG-CA 3.53Å; C687-C696 WeakPolarHBondContact SG-CB 3.19Å; C687-C696 CovalentContact SG-SG 2.04Å; C687-C696 PolarHBondContact SG-SG 3.07Å; F691-C696 WeakPolarHBondContact CD1-O 3.31Å; W692-C696 CarbonylContact O-C 3.54Å; W692-C696 WeakPolarHBondContact O-CA 3.15Å; G693-C696 PolarHBondContact O-N 3.29Å |
| 697 | D | 70.9 | Confident | 65.4 | Low | 77 Ų | 77 | 68.9 Ų | 68.9 | 41% | 0.412 | 38% | 0.379 | S | S | . | . | trans | -81.2 | -18.1 | -172.5 | 50.9 | -63.4 | 0 | 0 | 0 | 114.1 | W692 Q695 | W692-D697 PolarHBondContact O-N 2.73Å; Q695-D697 HydrophobicContact CB-CB 4.05Å; Q695-D697 WeakPolarHBondContact CB-OD1 3.39Å; Q695-D697 PolarHBondContact N-OD1 2.83Å; Q695-D697 VanDerWaalsContact N-OD1 3.1Å; Q695-D697 PolarHBondContact O-N 3.48Å | ||
| 698 | R | 70.7 | Confident | 65.3 | Low | 120 Ų | 120 | 72.9 Ų | 72.9 | 45% | 0.453 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 133.5 | -167.9 | -49 | -176.8 | 176.4 | -164.1 | -10.8 | 110 | F691 W692 | F691-R698 CarbonylContact C-O 3.05Å; F691-R698 VanDerWaalsContact CA-O 3.23Å; F691-R698 WeakPolarHBondContact CA-O 3.48Å; W692-R698 VanDerWaalsContact CD1-O 3.28Å; W692-R698 HydrophobicContact CD2-CB 3.98Å; W692-R698 HydrophobicContact CG-CB 4.08Å; W692-R698 HydrophobicContact CZ2-CB 4.17Å; W692-R698 PolarHBondContact N-O 3.1Å; W692-R698 WeakPolarHBondContact O-CB 3.09Å; W692-R698 PolarHBondContact O-N 3.13Å |
| 699 | L | 69.4 | Low | 65.4 | Low | 118 Ų | 118 | 68.6 Ų | 68.6 | 62% | 0.618 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 144.2 | 171.6 | -71.7 | 92.1 | 0 | 0 | 0 | 110.8 | G690 F691 W692 | G690-L699 CarbonylContact O-C 3.51Å; G690-L699 VanDerWaalsContact O-CA 3.24Å; G690-L699 WeakPolarHBondContact O-CA 3.43Å; F691-L699 HydrophobicContact CD1-CG 4.47Å; F691-L699 HydrophobicContact CE1-CD1 4.25Å; F691-L699 HydrophobicContact CE1-CG 4.02Å; F691-L699 HydrophobicContact CZ-CG 4.21Å; W692-L699 VanDerWaalsContact CD1-O 3.23Å; W692-L699 PolarHBondContact NE1-O 2.94Å |
| 700 | C | 68.6 | Low | 65.7 | Low | 9 Ų | 9 | 67.6 Ų | 67.6 | 6% | 0.061 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 139.9 | 165.2 | -68.5 | 0 | 0 | 0 | 0 | 108.8 | G690 N702 C709 | G690-C700 PolarHBondContact O-N 3.22Å; C700-N702 PolarHBondContact O-N 3.07Å; C700-C709 WeakPolarHBondContact CA-SG 3.24Å; C700-C709 HydrophobicContact CB-CB 3.86Å; C700-C709 WeakPolarHBondContact CB-SG 3.09Å; C700-C709 WeakPolarHBondContact SG-CB 3.47Å; C700-C709 CovalentContact SG-SG 2.04Å; C700-C709 PolarHBondContact SG-SG 3.09Å |
| 701 | P | 67.5 | Low | 65.5 | Low | 42 Ų | 42 | 73.3 Ų | 73.3 | 27% | 0.273 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 138.1 | 177.8 | -27 | 34.6 | 0 | 0 | 0 | 112.4 | H703 C704 G714 | P701-H703 WeakPolarHBondContact CB-CE1 3.03Å; P701-H703 PolarHBondContact O-N 2.86Å; P701-C704 PolarHBondContact O-N 2.89Å; P701-C704 PolarHBondContact O-SG 2.95Å; P701-G714 VanDerWaalsContact CD-O 3.26Å; P701-G714 WeakPolarHBondContact CD-O 3.35Å |
| 702 | N | 59.2 | Low | 65.1 | Low | 171 Ų | 171 | 77.7 Ų | 77.7 | 91% | 0.914 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -8.8 | -176.2 | -62.9 | 0.2 | 0 | 0 | 0 | 115.2 | C700 | C700-N702 PolarHBondContact O-N 3.07Š|
| 703 | H | 59.8 | Low | 64.8 | Low | 89 Ų | 89 | 81.3 Ų | 81.3 | 41% | 0.412 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -11 | 174.6 | 57.1 | -113.1 | 0 | 0 | 0 | 114.2 | P701 A705 C716 S725 H726 | P701-H703 WeakPolarHBondContact CB-CE1 3.03Å; P701-H703 PolarHBondContact O-N 2.86Å; H703-A705 PolarHBondContact O-N 3.21Å; H703-C716 PolarHBondContact CD2-SG 3.08Å; H703-S725 VanDerWaalsContact O-O 3.12Å; H703-H726 PolarHBondContact O-CE1 3.24Å; H703-H726 VanDerWaalsContact O-CE1 3.31Å; H703-H726 PolarHBondContact O-ND1 2.96Å |
| 704 | C | 62 | Low | 64.4 | Low | 3 Ų | 3 | 81.5 Ų | 81.5 | 2% | 0.02 | 42% | 0.419 | C | S | . | . | trans | -71 | 94.3 | 178.1 | -60.8 | 0 | 0 | 0 | 0 | 111.4 | P701 T706 N707 C716 | P701-C704 PolarHBondContact O-N 2.89Å; P701-C704 PolarHBondContact O-SG 2.95Å; C704-T706 PolarHBondContact O-N 3.33Å; C704-N707 PolarHBondContact O-N 2.86Å; C704-C716 WeakPolarHBondContact CA-SG 3.08Å; C704-C716 HydrophobicContact CB-CB 3.7Å; C704-C716 WeakPolarHBondContact CB-SG 3.36Å; C704-C716 WeakPolarHBondContact SG-CA 3.44Å; C704-C716 WeakPolarHBondContact SG-CB 3.36Å; C704-C716 CovalentContact SG-SG 2.04Å; C704-C716 PolarHBondContact SG-SG 2.97Å | ||
| 705 | A | 54.7 | Low | 64.5 | Low | 70 Ų | 70 | 82.3 Ų | 82.3 | 58% | 0.579 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -14.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | H703 H726 | H703-A705 PolarHBondContact O-N 3.21Å; A705-H726 HydrophobicContact CB-CB 3.98Å |
| 706 | T | 58.8 | Low | 64.5 | Low | 48 Ų | 48 | 77 Ų | 77 | 29% | 0.294 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -6.9 | 177.1 | 51.8 | 0 | 0 | 0 | 0 | 113.9 | C704 Q708 T717 | C704-T706 PolarHBondContact O-N 3.33Å; T706-Q708 PolarHBondContact O-N 2.87Å; T706-Q708 PolarHBondContact OG1-N 3.2Å; T706-T717 PolarHBondContact OG1-O 3.27Å |
| 707 | N | 59.4 | Low | 64.6 | Low | 107 Ų | 107 | 77.7 Ų | 77.7 | 57% | 0.572 | 39% | 0.393 | S | S | * | . | S | Bend | trans | 51.3 | 27 | -162.1 | -67.4 | -30.6 | 0 | 0 | 0 | 113.5 | A689 G690 C704 | A689-N707 CarbonylContact C-O 3.51Å; G690-N707 PolarHBondContact N-O 2.9Å; C704-N707 PolarHBondContact O-N 2.86Å |
| 708 | Q | 63.7 | Low | 64.5 | Low | 106 Ų | 106 | 74.4 Ų | 74.4 | 50% | 0.495 | 38% | 0.376 | S | S | . | . | trans | -122 | 132.7 | 179.2 | -63.6 | 166.9 | 21.7 | 0 | 0 | 109.9 | T706 C716 T717 | T706-Q708 PolarHBondContact O-N 2.87Å; T706-Q708 PolarHBondContact OG1-N 3.2Å; Q708-C716 WeakPolarHBondContact O-CA 3.11Å; Q708-T717 WeakPolarHBondContact CB-OG1 3.35Å; Q708-T717 PolarHBondContact O-N 2.89Å; Q708-T717 PolarHBondContact O-OG1 3.11Å | ||
| 709 | C | 69.6 | Low | 64.4 | Low | 19 Ų | 19 | 72.4 Ų | 72.4 | 13% | 0.128 | 38% | 0.38 | C | S | . | . | B | Isolated β-bridge | trans | -145.7 | 157 | 179.9 | 64.2 | 0 | 0 | 0 | 0 | 112.1 | C700 R711 G714 H715 | C700-C709 WeakPolarHBondContact CA-SG 3.24Å; C700-C709 HydrophobicContact CB-CB 3.86Å; C700-C709 WeakPolarHBondContact CB-SG 3.09Å; C700-C709 WeakPolarHBondContact SG-CB 3.47Å; C700-C709 CovalentContact SG-SG 2.04Å; C700-C709 PolarHBondContact SG-SG 3.09Å; C709-R711 PolarHBondContact O-N 3.1Å; C709-G714 WeakPolarHBondContact CB-O 3.46Å; C709-H715 CarbonylContact C-O 3.46Å; C709-H715 WeakPolarHBondContact CA-O 3.28Å; C709-H715 WeakPolarHBondContact CB-O 3.06Å |
| 710 | D | 68.3 | Low | 64.6 | Low | 52 Ų | 52 | 69.9 Ų | 69.9 | 28% | 0.278 | 37% | 0.371 | S | S | . | . | trans | -57.9 | 127.5 | 179.2 | 179 | -61 | 0 | 0 | 0 | 110.7 | W692 E712 K713 G714 H715 | W692-D710 WeakPolarHBondContact CB-O 3.42Å; D710-E712 VanDerWaalsContact C-N 3.27Å; D710-E712 PolarHBondContact O-N 3.39Å; D710-E712 PolarHBondContact OD1-N 2.87Å; D710-K713 HydrophobicContact CB-CB 4.22Å; D710-K713 PolarHBondContact O-N 3.35Å; D710-K713 PolarHBondContact OD1-N 3.22Å; D710-G714 WeakPolarHBondContact O-CA 3.48Å; D710-G714 PolarHBondContact O-N 3.23Å; D710-H715 PolarHBondContact N-O 2.79Å | ||
| 711 | R | 61.5 | Low | 64.6 | Low | 133 Ų | 133 | 69.6 Ų | 69.6 | 50% | 0.502 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -37.9 | -174.7 | -179.6 | -178 | 175.8 | -174.1 | -0.9 | 113.7 | G693 C709 | G693-R711 PolarHBondContact N-O 2.83Å; C709-R711 PolarHBondContact O-N 3.1Å |
| 712 | E | 62.8 | Low | 64.8 | Low | 155 Ų | 155 | 69 Ų | 69 | 72% | 0.724 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -28.9 | -174.8 | -64.2 | -174.7 | 167.2 | 0 | 0 | 112.1 | D710 | D710-E712 VanDerWaalsContact C-N 3.27Å; D710-E712 PolarHBondContact O-N 3.39Å; D710-E712 PolarHBondContact OD1-N 2.87Å |
| 713 | K | 66.7 | Low | 65.3 | Low | 125 Ų | 125 | 64.3 Ų | 64.3 | 54% | 0.543 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | -17 | -168.3 | -56.3 | 172.3 | -171.9 | 164.5 | 0 | 115.4 | D710 H715 | D710-K713 HydrophobicContact CB-CB 4.22Å; D710-K713 PolarHBondContact O-N 3.35Å; D710-K713 PolarHBondContact OD1-N 3.22Å; K713-H715 PolarHBondContact O-N 3.48Å |
| 714 | G | 61.5 | Low | 65.3 | Low | 3 Ų | 3 | 61.3 Ų | 61.3 | 3% | 0.031 | 33% | 0.328 | C | S | . | . | trans | 72.9 | 5.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | W692 P701 C709 D710 | W692-G714 VanDerWaalsContact CE3-N 3.28Å; P701-G714 VanDerWaalsContact CD-O 3.26Å; P701-G714 WeakPolarHBondContact CD-O 3.35Å; C709-G714 WeakPolarHBondContact CB-O 3.46Å; D710-G714 WeakPolarHBondContact O-CA 3.48Å; D710-G714 PolarHBondContact O-N 3.23Å | ||
| 715 | H | 66.6 | Low | 64.9 | Low | 130 Ų | 130 | 63.5 Ų | 63.5 | 60% | 0.602 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -72.8 | 136.1 | 175.7 | -62.4 | -50.3 | 0 | 0 | 0 | 111.6 | C709 D710 K713 | C709-H715 CarbonylContact C-O 3.46Å; C709-H715 WeakPolarHBondContact CA-O 3.28Å; C709-H715 WeakPolarHBondContact CB-O 3.06Å; D710-H715 PolarHBondContact N-O 2.79Å; K713-H715 PolarHBondContact O-N 3.48Å |
| 716 | C | 67 | Low | 65.2 | Low | 16 Ų | 16 | 64.7 Ų | 64.7 | 11% | 0.108 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -59.7 | 137.8 | -179.7 | -44.8 | 0 | 0 | 0 | 0 | 112.7 | H703 C704 Q708 S725 | H703-C716 PolarHBondContact CD2-SG 3.08Å; C704-C716 WeakPolarHBondContact CA-SG 3.08Å; C704-C716 HydrophobicContact CB-CB 3.7Å; C704-C716 WeakPolarHBondContact CB-SG 3.36Å; C704-C716 WeakPolarHBondContact SG-CA 3.44Å; C704-C716 WeakPolarHBondContact SG-CB 3.36Å; C704-C716 CovalentContact SG-SG 2.04Å; C704-C716 PolarHBondContact SG-SG 2.97Å; Q708-C716 WeakPolarHBondContact O-CA 3.11Å; C716-S725 PolarHBondContact SG-O 2.83Å |
| 717 | T | 68.5 | Low | 65.4 | Low | 39 Ų | 39 | 63.3 Ų | 63.3 | 24% | 0.239 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -100.1 | 137.3 | 176.9 | 52.6 | 0 | 0 | 0 | 0 | 111.3 | T706 Q708 C727 | T706-T717 PolarHBondContact OG1-O 3.27Å; Q708-T717 WeakPolarHBondContact CB-OG1 3.35Å; Q708-T717 PolarHBondContact O-N 2.89Å; Q708-T717 PolarHBondContact O-OG1 3.11Å; T717-C727 PolarHBondContact O-SG 2.71Å |
| 718 | C | 68.4 | Low | 65.7 | Low | 7 Ų | 7 | 62.8 Ų | 62.8 | 5% | 0.047 | 32% | 0.323 | C | S | . | . | trans | -123 | 149.1 | -173.8 | -59.6 | 0 | 0 | 0 | 0 | 112.7 | T722 G724 C727 L739 | C718-T722 WeakPolarHBondContact CB-O 3.39Å; C718-G724 PolarHBondContact SG-O 3.03Å; C718-G724 VanDerWaalsContact SG-O 3.37Å; C718-C727 WeakPolarHBondContact CA-SG 3.23Å; C718-C727 HydrophobicContact CB-CB 3.62Å; C718-C727 WeakPolarHBondContact CB-SG 3Å; C718-C727 WeakPolarHBondContact SG-CA 3.02Å; C718-C727 WeakPolarHBondContact SG-CB 3.24Å; C718-C727 CovalentContact SG-SG 2.04Å; C718-C727 PolarHBondContact SG-SG 3.32Å; C718-L739 HydrophobicContact CB-CD2 3.94Å | ||
| 719 | S | 68.9 | Low | 65.7 | Low | 78 Ų | 78 | 59.4 Ų | 59.4 | 55% | 0.545 | 31% | 0.308 | S | S | . | . | trans | -55.4 | 150.2 | 173.9 | -58.5 | 0 | 0 | 0 | 0 | 112.1 | G721 T722 | S719-G721 PolarHBondContact O-N 3.17Å; S719-T722 PolarHBondContact O-N 3.49Å | ||
| 720 | P | 71.9 | Confident | 65.8 | Low | 66 Ų | 66 | 62.9 Ų | 62.9 | 43% | 0.429 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | 134 | 172.8 | -28.3 | 36 | 0 | 0 | 0 | 112.1 | Q761 | P720-Q761 WeakPolarHBondContact O-CG 3.31Š|
| 721 | G | 68.6 | Low | 66 | Low | 2 Ų | 2 | 61.1 Ų | 61.1 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86 | -2.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | S719 S730 C731 G737 P760 | S719-G721 PolarHBondContact O-N 3.17Å; G721-S730 CarbonylContact O-C 3.56Å; G721-S730 WeakPolarHBondContact O-CA 3.36Å; G721-C731 VanDerWaalsContact CA-SG 3.5Å; G721-C731 PolarHBondContact O-N 3.1Å; G721-G737 PolarHBondContact N-O 2.94Å; G721-P760 VanDerWaalsContact CA-C 3.49Å; G721-P760 WeakPolarHBondContact CA-O 3.02Å; G721-P760 PolarHBondContact N-O 3.18Å |
| 722 | T | 71.9 | Confident | 66.5 | Low | 29 Ų | 29 | 55.9 Ų | 55.9 | 18% | 0.178 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 158.3 | 169 | 75.8 | 0 | 0 | 0 | 0 | 115 | C718 S719 C727 L729 | C718-T722 WeakPolarHBondContact CB-O 3.39Å; S719-T722 PolarHBondContact O-N 3.49Å; T722-C727 VanDerWaalsContact CB-O 3.28Å; T722-C727 WeakPolarHBondContact CB-O 3.31Å; T722-C727 PolarHBondContact OG1-O 2.83Å; T722-L729 CarbonylContact C-O 3.46Å; T722-L729 WeakPolarHBondContact CA-O 3.26Å; T722-L729 VanDerWaalsContact CB-O 3.3Å; T722-L729 WeakPolarHBondContact CB-O 3.38Å |
| 723 | Y | 71.1 | Confident | 66.8 | Low | 73 Ų | 73 | 55.1 Ų | 55.1 | 29% | 0.286 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 179.5 | 177.7 | 79.5 | -80.6 | 0 | 0 | 0 | 112 | C727 H728 L729 S730 P732 | Y723-C727 CarbonylContact O-C 3.35Å; Y723-C727 WeakPolarHBondContact O-CA 3.29Å; Y723-H728 PolarHBondContact O-N 3.36Å; Y723-L729 HydrophobicContact CD1-CB 3.61Å; Y723-L729 WeakPolarHBondContact CD1-O 3.21Å; Y723-L729 HydrophobicContact CD2-CB 4.41Å; Y723-L729 HydrophobicContact CD2-CD1 3.96Å; Y723-L729 HydrophobicContact CE1-CB 3.44Å; Y723-L729 VanDerWaalsContact CE1-CB 3.44Å; Y723-L729 HydrophobicContact CE1-CD1 4.23Å; Y723-L729 HydrophobicContact CE1-CG 4.43Å; Y723-L729 HydrophobicContact CE2-CB 4.25Å; Y723-L729 HydrophobicContact CE2-CD1 3.51Å; Y723-L729 HydrophobicContact CG-CB 4.12Å; Y723-L729 HydrophobicContact CG-CD1 4.48Å; Y723-L729 PolarHBondContact N-O 3.28Å; Y723-L729 WeakPolarHBondContact O-CB 3.44Å; Y723-L729 PolarHBondContact O-N 2.67Å; Y723-S730 WeakPolarHBondContact CE1-O 3.47Å; Y723-P732 HydrophobicContact CE1-CG 3.88Å |
| 724 | G | 59.5 | Low | 67 | Low | 26 Ų | 26 | 52.4 Ų | 52.4 | 27% | 0.268 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 92 | 163.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | C718 H726 C727 | C718-G724 PolarHBondContact SG-O 3.03Å; C718-G724 VanDerWaalsContact SG-O 3.37Å; G724-H726 VanDerWaalsContact C-N 3.3Å; G724-H726 PolarHBondContact O-N 2.96Å; G724-C727 PolarHBondContact O-N 2.85Å |
| 725 | S | 53.6 | Low | 67.9 | Low | 49 Ų | 49 | 53.9 Ų | 53.9 | 34% | 0.343 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -41.7 | -174.4 | 47.7 | 0 | 0 | 0 | 0 | 114.3 | H703 C716 | H703-S725 VanDerWaalsContact O-O 3.12Å; C716-S725 PolarHBondContact SG-O 2.83Å |
| 726 | H | 60.4 | Low | 68.8 | Low | 96 Ų | 96 | 50.8 Ų | 50.8 | 44% | 0.444 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 14.5 | 177.6 | -50.9 | -77.7 | 0 | 0 | 0 | 113 | H703 A705 G724 H728 | H703-H726 PolarHBondContact O-CE1 3.24Å; H703-H726 VanDerWaalsContact O-CE1 3.31Å; H703-H726 PolarHBondContact O-ND1 2.96Å; A705-H726 HydrophobicContact CB-CB 3.98Å; G724-H726 VanDerWaalsContact C-N 3.3Å; G724-H726 PolarHBondContact O-N 2.96Å; H726-H728 HydrophobicContact CB-CB 4.43Å; H726-H728 PolarHBondContact O-N 3.1Å; H726-H728 VanDerWaalsContact O-N 3.11Å |
| 727 | C | 64.1 | Low | 69 | Low | 18 Ų | 18 | 50.2 Ų | 50.2 | 12% | 0.122 | 28% | 0.283 | C | S | . | . | S | Bend | trans | 53.3 | 29.6 | -178.8 | -56.5 | 0 | 0 | 0 | 0 | 115 | T717 C718 T722 Y723 G724 | T717-C727 PolarHBondContact O-SG 2.71Å; C718-C727 WeakPolarHBondContact CA-SG 3.23Å; C718-C727 HydrophobicContact CB-CB 3.62Å; C718-C727 WeakPolarHBondContact CB-SG 3Å; C718-C727 WeakPolarHBondContact SG-CA 3.02Å; C718-C727 WeakPolarHBondContact SG-CB 3.24Å; C718-C727 CovalentContact SG-SG 2.04Å; C718-C727 PolarHBondContact SG-SG 3.32Å; T722-C727 VanDerWaalsContact CB-O 3.28Å; T722-C727 WeakPolarHBondContact CB-O 3.31Å; T722-C727 PolarHBondContact OG1-O 2.83Å; Y723-C727 CarbonylContact O-C 3.35Å; Y723-C727 WeakPolarHBondContact O-CA 3.29Å; G724-C727 PolarHBondContact O-N 2.85Å |
| 728 | H | 65.6 | Low | 69 | Low | 96 Ų | 96 | 54 Ų | 54 | 44% | 0.444 | 30% | 0.298 | S | S | . | . | trans | -100.2 | 0.1 | -167.5 | 64.4 | -65.8 | 0 | 0 | 0 | 114.6 | R424 Y723 H726 | R424-H728 PolarHBondContact NH2-NE2 2.87Å; Y723-H728 PolarHBondContact O-N 3.36Å; H726-H728 HydrophobicContact CB-CB 4.43Å; H726-H728 PolarHBondContact O-N 3.1Å; H726-H728 VanDerWaalsContact O-N 3.11Å | ||
| 729 | L | 62.2 | Low | 69.1 | Low | 36 Ų | 36 | 57.8 Ų | 57.8 | 19% | 0.188 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 121.4 | -179.4 | -58.9 | 164.2 | 0 | 0 | 0 | 109.6 | R424 T722 Y723 | R424-L729 VanDerWaalsContact NH1-CD1 3.33Å; T722-L729 CarbonylContact C-O 3.46Å; T722-L729 WeakPolarHBondContact CA-O 3.26Å; T722-L729 VanDerWaalsContact CB-O 3.3Å; T722-L729 WeakPolarHBondContact CB-O 3.38Å; Y723-L729 HydrophobicContact CD1-CB 3.61Å; Y723-L729 WeakPolarHBondContact CD1-O 3.21Å; Y723-L729 HydrophobicContact CD2-CB 4.41Å; Y723-L729 HydrophobicContact CD2-CD1 3.96Å; Y723-L729 HydrophobicContact CE1-CB 3.44Å; Y723-L729 VanDerWaalsContact CE1-CB 3.44Å; Y723-L729 HydrophobicContact CE1-CD1 4.23Å; Y723-L729 HydrophobicContact CE1-CG 4.43Å; Y723-L729 HydrophobicContact CE2-CB 4.25Å; Y723-L729 HydrophobicContact CE2-CD1 3.51Å; Y723-L729 HydrophobicContact CG-CB 4.12Å; Y723-L729 HydrophobicContact CG-CD1 4.48Å; Y723-L729 PolarHBondContact N-O 3.28Å; Y723-L729 WeakPolarHBondContact O-CB 3.44Å; Y723-L729 PolarHBondContact O-N 2.67Å |
| 730 | S | 71.6 | Confident | 69.4 | Low | 91 Ų | 91 | 54.9 Ų | 54.9 | 64% | 0.636 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 150.1 | 169.3 | -52 | 0 | 0 | 0 | 0 | 111.1 | G721 Y723 | G721-S730 CarbonylContact O-C 3.56Å; G721-S730 WeakPolarHBondContact O-CA 3.36Å; Y723-S730 WeakPolarHBondContact CE1-O 3.47Å |
| 731 | C | 74.3 | Confident | 69.4 | Low | 15 Ų | 15 | 56 Ų | 56 | 10% | 0.101 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 142.3 | -175.3 | -70.1 | 0 | 0 | 0 | 0 | 114.6 | G721 C740 P760 | G721-C731 VanDerWaalsContact CA-SG 3.5Å; G721-C731 PolarHBondContact O-N 3.1Å; C731-C740 WeakPolarHBondContact CA-SG 3.42Å; C731-C740 HydrophobicContact CB-CB 3.72Å; C731-C740 WeakPolarHBondContact CB-SG 3.37Å; C731-C740 WeakPolarHBondContact SG-CA 3.46Å; C731-C740 WeakPolarHBondContact SG-CB 3.4Å; C731-C740 CovalentContact SG-SG 2.03Å; C731-C740 PolarHBondContact SG-SG 2.72Å; C731-P760 HydrophobicContact CB-CB 3.96Å |
| 732 | P | 70.4 | Confident | 69.9 | Low | 23 Ų | 23 | 59.7 Ų | 59.7 | 15% | 0.149 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 154.7 | 177.1 | -24.1 | 35 | 0 | 0 | 0 | 113.6 | E418 Y723 N734 T735 | E418-P732 WeakPolarHBondContact OE1-CB 3.24Å; E418-P732 WeakPolarHBondContact OE1-CG 2.96Å; E418-P732 VanDerWaalsContact OE2-CG 3.24Å; E418-P732 WeakPolarHBondContact OE2-CG 3.34Å; Y723-P732 HydrophobicContact CE1-CG 3.88Å; P732-N734 PolarHBondContact O-N 2.94Å; P732-T735 WeakPolarHBondContact CD-OG1 3.4Å; P732-T735 PolarHBondContact O-N 3.43Å; P732-T735 PolarHBondContact O-OG1 2.76Å |
| 733 | E | 69.4 | Low | 70.2 | Confident | 139 Ų | 139 | 66.8 Ų | 66.8 | 65% | 0.65 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 130.6 | -179.3 | -66.9 | -163.5 | 148.2 | 0 | 0 | 111.3 | K756 | E733-K756 WeakPolarHBondContact OE1-CE 3.16Å; E733-K756 IonicContact OE1-NZ 2.95Å |
| 734 | N | 72 | Confident | 70.6 | Confident | 69 Ų | 69 | 63.7 Ų | 63.7 | 37% | 0.369 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | 11.8 | -175.9 | -42.8 | -74.7 | 0 | 0 | 0 | 116.3 | P732 C744 L749 | P732-N734 PolarHBondContact O-N 2.94Å; N734-C744 WeakPolarHBondContact CA-SG 3.03Å; N734-C744 PolarHBondContact O-N 3.34Å; N734-L749 HydrophobicContact CB-CD2 4.19Å; N734-L749 WeakPolarHBondContact OD1-CD2 3.42Å |
| 735 | T | 80.3 | Confident | 71.6 | Confident | 33 Ų | 33 | 64.5 Ų | 64.5 | 20% | 0.202 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 156.8 | 173.7 | 66.9 | 0 | 0 | 0 | 0 | 113.4 | P732 L742 | P732-T735 WeakPolarHBondContact CD-OG1 3.4Å; P732-T735 PolarHBondContact O-N 3.43Å; P732-T735 PolarHBondContact O-OG1 2.76Å; T735-L742 CarbonylContact C-O 3.56Å; T735-L742 VanDerWaalsContact CA-O 3.23Å; T735-L742 WeakPolarHBondContact CA-O 3.1Å |
| 736 | W | 84.7 | Confident | 72.5 | Confident | 65 Ų | 65 | 65.7 Ų | 65.7 | 25% | 0.246 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 174.8 | 179.7 | 68.6 | -75.1 | 0 | 0 | 0 | 112.3 | C740 S741 L742 K743 D759 P760 G763 | W736-C740 CarbonylContact O-C 3.55Å; W736-C740 WeakPolarHBondContact O-CA 3.43Å; W736-S741 PolarHBondContact O-N 3.03Å; W736-L742 HydrophobicContact CD2-CB 3.97Å; W736-L742 HydrophobicContact CD2-CD1 4.08Å; W736-L742 HydrophobicContact CE3-CD1 4.09Å; W736-L742 HydrophobicContact CG-CB 4.11Å; W736-L742 HydrophobicContact CH2-CD1 3.65Å; W736-L742 HydrophobicContact CZ2-CB 4.14Å; W736-L742 HydrophobicContact CZ2-CD1 3.61Å; W736-L742 HydrophobicContact CZ3-CD1 3.88Å; W736-L742 PolarHBondContact N-O 3.28Å; W736-L742 WeakPolarHBondContact O-CB 3.42Å; W736-L742 PolarHBondContact O-N 3.21Å; W736-K743 VanDerWaalsContact CD1-C 3.48Å; W736-K743 PolarHBondContact NE1-O 2.95Å; W736-D759 WeakPolarHBondContact CB-O 3.25Å; W736-P760 CarbonylContact C-O 3.56Å; W736-P760 VanDerWaalsContact CA-O 3.25Å; W736-P760 WeakPolarHBondContact CA-O 3.43Å; W736-P760 WeakPolarHBondContact CB-O 3.34Å; W736-G763 VanDerWaalsContact CD2-CA 3.48Å |
| 737 | G | 70.6 | Confident | 72.9 | Confident | 4 Ų | 4 | 66.4 Ų | 66.4 | 4% | 0.041 | 36% | 0.36 | C | S | . | . | S | Bend | trans | 86.4 | -167.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G721 L739 C740 P760 | G721-G737 PolarHBondContact N-O 2.94Å; G737-L739 PolarHBondContact O-N 2.94Å; G737-C740 PolarHBondContact O-N 3.27Å; G737-P760 PolarHBondContact N-O 3.03Å |
| 738 | E | 70.2 | Confident | 73.3 | Confident | 118 Ų | 118 | 65.8 Ų | 65.8 | 55% | 0.551 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -63.1 | 126.1 | 179.2 | -172.9 | 175.7 | -170.1 | 0 | 0 | 110.7 | C740 S741 | E738-C740 PolarHBondContact O-N 3.41Å; E738-S741 WeakPolarHBondContact O-CB 3.41Å; E738-S741 PolarHBondContact O-N 2.94Å; E738-S741 VanDerWaalsContact O-N 3.1Å; E738-S741 PolarHBondContact O-OG 3.05Å |
| 739 | L | 68.9 | Low | 73.4 | Confident | 88 Ų | 88 | 65.6 Ų | 65.6 | 46% | 0.461 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | 48.1 | 28.6 | -172.7 | -63.8 | 171.1 | 0 | 0 | 0 | 113.8 | C718 G737 S741 | C718-L739 HydrophobicContact CB-CD2 3.94Å; G737-L739 PolarHBondContact O-N 2.94Å; L739-S741 PolarHBondContact O-N 2.91Å |
| 740 | C | 75.3 | Confident | 73.8 | Confident | 17 Ų | 17 | 66 Ų | 66 | 12% | 0.115 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | 58.3 | 26.3 | 179.9 | -44.7 | 0 | 0 | 0 | 0 | 114.3 | C731 W736 G737 E738 L742 | C731-C740 WeakPolarHBondContact CA-SG 3.42Å; C731-C740 HydrophobicContact CB-CB 3.72Å; C731-C740 WeakPolarHBondContact CB-SG 3.37Å; C731-C740 WeakPolarHBondContact SG-CA 3.46Å; C731-C740 WeakPolarHBondContact SG-CB 3.4Å; C731-C740 CovalentContact SG-SG 2.03Å; C731-C740 PolarHBondContact SG-SG 2.72Å; W736-C740 CarbonylContact O-C 3.55Å; W736-C740 WeakPolarHBondContact O-CA 3.43Å; G737-C740 PolarHBondContact O-N 3.27Å; E738-C740 PolarHBondContact O-N 3.41Å; C740-L742 VanDerWaalsContact C-N 3.27Å; C740-L742 PolarHBondContact O-N 2.72Å |
| 741 | S | 73.5 | Confident | 73.3 | Confident | 90 Ų | 90 | 67.2 Ų | 67.2 | 63% | 0.629 | 37% | 0.368 | S | S | * | . | trans | -71.7 | -11.8 | -172.6 | 56 | 0 | 0 | 0 | 0 | 115.3 | W736 E738 L739 | W736-S741 PolarHBondContact O-N 3.03Å; E738-S741 WeakPolarHBondContact O-CB 3.41Å; E738-S741 PolarHBondContact O-N 2.94Å; E738-S741 VanDerWaalsContact O-N 3.1Å; E738-S741 PolarHBondContact O-OG 3.05Å; L739-S741 PolarHBondContact O-N 2.91Å | ||
| 742 | L | 77.4 | Confident | 73 | Confident | 78 Ų | 78 | 76.1 Ų | 76.1 | 41% | 0.408 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 142.9 | -178.2 | -55 | 177.4 | 0 | 0 | 0 | 111.1 | T735 W736 C740 | T735-L742 CarbonylContact C-O 3.56Å; T735-L742 VanDerWaalsContact CA-O 3.23Å; T735-L742 WeakPolarHBondContact CA-O 3.1Å; W736-L742 HydrophobicContact CD2-CB 3.97Å; W736-L742 HydrophobicContact CD2-CD1 4.08Å; W736-L742 HydrophobicContact CE3-CD1 4.09Å; W736-L742 HydrophobicContact CG-CB 4.11Å; W736-L742 HydrophobicContact CH2-CD1 3.65Å; W736-L742 HydrophobicContact CZ2-CB 4.14Å; W736-L742 HydrophobicContact CZ2-CD1 3.61Å; W736-L742 HydrophobicContact CZ3-CD1 3.88Å; W736-L742 PolarHBondContact N-O 3.28Å; W736-L742 WeakPolarHBondContact O-CB 3.42Å; W736-L742 PolarHBondContact O-N 3.21Å; C740-L742 VanDerWaalsContact C-N 3.27Å; C740-L742 PolarHBondContact O-N 2.72Å |
| 743 | K | 78.6 | Confident | 72.8 | Confident | 178 Ų | 178 | 77.9 Ų | 77.9 | 77% | 0.774 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 146.7 | 172.9 | -65.2 | -176.6 | 179.1 | -177.6 | 0 | 110.4 | W736 | W736-K743 VanDerWaalsContact CD1-C 3.48Å; W736-K743 PolarHBondContact NE1-O 2.95Å |
| 744 | C | 80.8 | Confident | 73 | Confident | 8 Ų | 8 | 74.2 Ų | 74.2 | 5% | 0.054 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -55.9 | 148.5 | 175.1 | -69.1 | 0 | 0 | 0 | 0 | 112.1 | N734 C748 C758 | N734-C744 WeakPolarHBondContact CA-SG 3.03Å; N734-C744 PolarHBondContact O-N 3.34Å; C744-C748 HydrophobicContact CB-CB 4.44Å; C744-C758 WeakPolarHBondContact CA-SG 3.43Å; C744-C758 HydrophobicContact CB-CB 3.7Å; C744-C758 WeakPolarHBondContact CB-SG 3.23Å; C744-C758 WeakPolarHBondContact SG-CB 3.42Å; C744-C758 PolarHBondContact SG-N 3.26Å; C744-C758 VanDerWaalsContact SG-N 3.35Å; C744-C758 CovalentContact SG-SG 2.02Å; C744-C758 PolarHBondContact SG-SG 3.26Å |
| 745 | P | 78.8 | Confident | 73 | Confident | 43 Ų | 43 | 71.6 Ų | 71.6 | 28% | 0.279 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -52.3 | 146.2 | 172.8 | -26.5 | 34.5 | 0 | 0 | 0 | 112.6 | E747 C748 G763 | P745-E747 PolarHBondContact O-N 2.69Å; P745-C748 WeakPolarHBondContact O-CB 3.49Å; P745-C748 PolarHBondContact O-N 2.91Å; P745-G763 VanDerWaalsContact CD-O 3.25Å; P745-G763 WeakPolarHBondContact CD-O 3.34Å; P745-G763 WeakPolarHBondContact CG-O 3.25Å |
| 746 | A | 73.2 | Confident | 72.5 | Confident | 74 Ų | 74 | 75.5 Ų | 75.5 | 61% | 0.612 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -61.6 | -31.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | C748 L749 D750 | A746-C748 PolarHBondContact O-N 3.38Å; A746-L749 PolarHBondContact O-N 2.94Å; A746-L749 VanDerWaalsContact O-N 3.1Å; A746-D750 PolarHBondContact O-N 2.97Å |
| 747 | E | 70 | Confident | 72.2 | Confident | 112 Ų | 112 | 72.7 Ų | 72.7 | 52% | 0.523 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.6 | -31.4 | 172.6 | -58 | 98.9 | -100.7 | 0 | 0 | 113.5 | P745 L749 R753 | P745-E747 PolarHBondContact O-N 2.69Å; E747-L749 PolarHBondContact O-N 3.03Å; E747-R753 WeakPolarHBondContact O-CD 3.47Å |
| 748 | C | 72.2 | Confident | 72.7 | Confident | 4 Ų | 4 | 73 Ų | 73 | 3% | 0.027 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -75.6 | -15.3 | 178.6 | -47.9 | 0 | 0 | 0 | 0 | 112.8 | C744 P745 A746 T755 C758 C765 | C744-C748 HydrophobicContact CB-CB 4.44Å; P745-C748 WeakPolarHBondContact O-CB 3.49Å; P745-C748 PolarHBondContact O-N 2.91Å; A746-C748 PolarHBondContact O-N 3.38Å; C748-T755 WeakPolarHBondContact O-CB 3.37Å; C748-T755 PolarHBondContact O-OG1 2.86Å; C748-C758 HydrophobicContact CB-CB 4.47Å; C748-C765 WeakPolarHBondContact CA-SG 3.36Å; C748-C765 HydrophobicContact CB-CB 3.88Å; C748-C765 WeakPolarHBondContact CB-SG 3.15Å; C748-C765 WeakPolarHBondContact SG-CA 3.48Å; C748-C765 WeakPolarHBondContact SG-CB 3.39Å; C748-C765 CovalentContact SG-SG 2.04Å; C748-C765 PolarHBondContact SG-SG 2.94Å |
| 749 | L | 67.1 | Low | 73.2 | Confident | 93 Ų | 93 | 70 Ų | 70 | 49% | 0.487 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -99.2 | -10 | -178.5 | -64.9 | 169.1 | 0 | 0 | 0 | 113.1 | N734 A746 E747 S751 | N734-L749 HydrophobicContact CB-CD2 4.19Å; N734-L749 WeakPolarHBondContact OD1-CD2 3.42Å; A746-L749 PolarHBondContact O-N 2.94Å; A746-L749 VanDerWaalsContact O-N 3.1Å; E747-L749 PolarHBondContact O-N 3.03Å; L749-S751 PolarHBondContact O-N 3.17Å |
| 750 | D | 70.7 | Confident | 73.4 | Confident | 44 Ų | 44 | 67.4 Ų | 67.4 | 24% | 0.235 | 36% | 0.356 | C | S | . | . | trans | -70.7 | 115.6 | 178.3 | -171.9 | -20.6 | 0 | 0 | 0 | 110.8 | A746 R752 R753 | A746-D750 PolarHBondContact O-N 2.97Å; D750-R752 PolarHBondContact O-N 3.43Å; D750-R752 VanDerWaalsContact OD1-CB 3.25Å; D750-R752 WeakPolarHBondContact OD1-CB 3.33Å; D750-R752 WeakPolarHBondContact OD1-CG 3.36Å; D750-R752 IonicContact OD1-CZ 3.97Å; D750-R752 PolarHBondContact OD1-N 2.95Å; D750-R752 IonicContact OD1-NE 3.51Å; D750-R752 PolarHBondContact OD1-NE 2.89Å; D750-R752 IonicContact OD1-NH2 3.89Å; D750-R752 IonicContact OD2-CZ 2.64Å; D750-R752 VanDerWaalsContact OD2-CZ 3.25Å; D750-R752 IonicContact OD2-NE 2.77Å; D750-R752 PolarHBondContact OD2-NE 2.78Å; D750-R752 IonicContact OD2-NH2 2.93Å; D750-R752 PolarHBondContact OD2-NH2 2.04Å; D750-R753 PolarHBondContact O-N 2.81Å | ||
| 751 | S | 60.8 | Low | 73.3 | Confident | 116 Ų | 116 | 72.5 Ų | 72.5 | 81% | 0.811 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -11.1 | -179.5 | -42.2 | 0 | 0 | 0 | 0 | 114.5 | L749 | L749-S751 PolarHBondContact O-N 3.17Š|
| 752 | R | 68.1 | Low | 73.6 | Confident | 202 Ų | 202 | 71.7 Ų | 71.7 | 76% | 0.762 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -14.6 | 175 | -59.5 | 172.6 | -68.9 | -174.2 | 2.3 | 113.5 | D750 | D750-R752 PolarHBondContact O-N 3.43Å; D750-R752 VanDerWaalsContact OD1-CB 3.25Å; D750-R752 WeakPolarHBondContact OD1-CB 3.33Å; D750-R752 WeakPolarHBondContact OD1-CG 3.36Å; D750-R752 IonicContact OD1-CZ 3.97Å; D750-R752 PolarHBondContact OD1-N 2.95Å; D750-R752 IonicContact OD1-NE 3.51Å; D750-R752 PolarHBondContact OD1-NE 2.89Å; D750-R752 IonicContact OD1-NH2 3.89Å; D750-R752 IonicContact OD2-CZ 2.64Å; D750-R752 VanDerWaalsContact OD2-CZ 3.25Å; D750-R752 IonicContact OD2-NE 2.77Å; D750-R752 PolarHBondContact OD2-NE 2.78Å; D750-R752 IonicContact OD2-NH2 2.93Å; D750-R752 PolarHBondContact OD2-NH2 2.04Å |
| 753 | R | 65.8 | Low | 73.6 | Confident | 61 Ų | 61 | 68.2 Ų | 68.2 | 23% | 0.23 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -95.8 | 144.9 | 169.6 | -69.6 | 178.1 | 169 | -123.3 | -14.4 | 108.8 | E747 D750 T755 D775 | E747-R753 WeakPolarHBondContact O-CD 3.47Å; D750-R753 PolarHBondContact O-N 2.81Å; R753-T755 HydrophobicContact CB-CG2 4.1Å; R753-T755 PolarHBondContact O-N 3.46Å; R753-D775 IonicContact CZ-OD1 2.7Å; R753-D775 IonicContact NH1-OD1 3.18Å; R753-D775 PolarHBondContact NH1-OD1 3.15Å; R753-D775 IonicContact NH2-OD1 3.12Å; R753-D775 PolarHBondContact NH2-OD1 3.12Å |
| 754 | H | 73.8 | Confident | 73.7 | Confident | 61 Ų | 61 | 66.3 Ų | 66.3 | 28% | 0.282 | 35% | 0.346 | S | S | . | . | trans | -85 | 59.3 | -178.3 | -52.5 | 93.7 | 0 | 0 | 0 | 110.4 | C767 K768 Y771 C776 | H754-C767 CarbonylContact O-C 3.52Å; H754-C767 WeakPolarHBondContact O-CA 3.47Å; H754-K768 HydrophobicContact CB-CB 4.42Å; H754-K768 HydrophobicContact CB-CD 4.27Å; H754-K768 WeakPolarHBondContact O-CB 3.3Å; H754-K768 WeakPolarHBondContact O-CG 3.25Å; H754-K768 PolarHBondContact O-N 3.31Å; H754-Y771 HydrophobicContact CB-CD1 3.85Å; H754-Y771 HydrophobicContact CB-CD2 3.61Å; H754-Y771 HydrophobicContact CB-CE1 4.05Å; H754-Y771 HydrophobicContact CB-CE2 3.82Å; H754-Y771 HydrophobicContact CB-CG 3.62Å; H754-Y771 AromaticContact CD2-CE1 3.75Å; H754-Y771 AromaticContact CD2-CE2 3.85Å; H754-Y771 AromaticContact CD2-CZ 3.4Å; H754-Y771 PolarHBondContact CD2-OH 2.95Å; H754-Y771 AromaticContact CE1-CE1 3.45Å; H754-Y771 VanDerWaalsContact CE1-CE1 3.45Å; H754-Y771 WeakPolarHBondContact CE1-CE1 3.49Å; H754-Y771 AromaticContact CE1-CZ 3.85Å; H754-Y771 AromaticContact CG-CD1 3.69Å; H754-Y771 AromaticContact CG-CE1 3.42Å; H754-Y771 VanDerWaalsContact CG-CE1 3.42Å; H754-Y771 AromaticContact CG-CE2 3.78Å; H754-Y771 AromaticContact CG-CG 3.96Å; H754-Y771 AromaticContact CG-CZ 3.46Å; H754-Y771 VanDerWaalsContact CG-CZ 3.46Å; H754-Y771 AromaticContact ND1-CD1 3.49Å; H754-Y771 WeakPolarHBondContact ND1-CD1 3.35Å; H754-Y771 AromaticContact ND1-CE1 3.23Å; H754-Y771 WeakPolarHBondContact ND1-CE1 3.3Å; H754-Y771 AromaticContact ND1-CZ 3.74Å; H754-Y771 AromaticContact NE2-CE1 3.78Å; H754-Y771 AromaticContact NE2-CZ 3.67Å; H754-Y771 PolarHBondContact NE2-OH 3.21Å; H754-C776 VanDerWaalsContact CB-O 3.25Å; H754-C776 WeakPolarHBondContact CB-O 3.43Å; H754-C776 PolarHBondContact N-O 2.79Å; H754-C776 PolarHBondContact ND1-O 2.02Å; H754-C776 WeakPolarHBondContact O-CB 3.43Å | ||
| 755 | T | 72.4 | Confident | 73.6 | Confident | 15 Ų | 15 | 67.2 Ų | 67.2 | 9% | 0.092 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 148.7 | -177.7 | 48.6 | 0 | 0 | 0 | 0 | 112.4 | C748 R753 C765 I766 K768 C776 | C748-T755 WeakPolarHBondContact O-CB 3.37Å; C748-T755 PolarHBondContact O-OG1 2.86Å; R753-T755 HydrophobicContact CB-CG2 4.1Å; R753-T755 PolarHBondContact O-N 3.46Å; T755-C765 HydrophobicContact CG2-CB 3.89Å; T755-I766 CarbonylContact C-O 3.59Å; T755-I766 VanDerWaalsContact CA-O 3.25Å; T755-I766 WeakPolarHBondContact CA-O 3.47Å; T755-K768 WeakPolarHBondContact O-CE 3.26Å; T755-C776 HydrophobicContact CG2-CB 3.92Å |
| 756 | K | 70.4 | Confident | 73.4 | Confident | 115 Ų | 115 | 67.4 Ų | 67.4 | 50% | 0.5 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | -23.3 | 168.5 | -174.1 | 179.2 | 173.3 | -163.6 | 0 | 112.1 | E733 I766 F787 | E733-K756 WeakPolarHBondContact OE1-CE 3.16Å; E733-K756 IonicContact OE1-NZ 2.95Å; K756-I766 HydrophobicContact CB-CG2 4.4Å; K756-I766 PolarHBondContact N-O 2.03Å; K756-F787 HydrophobicContact CD-CE1 3.75Å; K756-F787 HydrophobicContact CD-CZ 4.06Å |
| 757 | G | 77 | Confident | 73.8 | Confident | 6 Ų | 6 | 63.9 Ų | 63.9 | 6% | 0.062 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 159.4 | -148.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | C765 I766 | G757-C765 WeakPolarHBondContact O-CA 3.34Å; G757-I766 PolarHBondContact O-N 2.89Å |
| 758 | C | 82.1 | Confident | 74 | Confident | 10 Ų | 10 | 62.8 Ų | 62.8 | 7% | 0.068 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 166.4 | 167.6 | 74.2 | 0 | 0 | 0 | 0 | 112.3 | C744 C748 G763 E764 I766 | C744-C758 WeakPolarHBondContact CA-SG 3.43Å; C744-C758 HydrophobicContact CB-CB 3.7Å; C744-C758 WeakPolarHBondContact CB-SG 3.23Å; C744-C758 WeakPolarHBondContact SG-CB 3.42Å; C744-C758 PolarHBondContact SG-N 3.26Å; C744-C758 VanDerWaalsContact SG-N 3.35Å; C744-C758 CovalentContact SG-SG 2.02Å; C744-C758 PolarHBondContact SG-SG 3.26Å; C748-C758 HydrophobicContact CB-CB 4.47Å; C758-G763 WeakPolarHBondContact CB-O 3.34Å; C758-E764 CarbonylContact C-O 3.52Å; C758-E764 WeakPolarHBondContact CA-O 3.23Å; C758-E764 WeakPolarHBondContact CB-O 3.46Å; C758-I766 WeakPolarHBondContact O-CD1 3.34Å |
| 759 | D | 79.9 | Confident | 74.1 | Confident | 54 Ų | 54 | 64.4 Ų | 64.4 | 29% | 0.289 | 33% | 0.325 | S | S | . | . | trans | -67.8 | 129.9 | 177.5 | -174.6 | -82.2 | 0 | 0 | 0 | 111.6 | W736 Q761 T762 G763 E764 | W736-D759 WeakPolarHBondContact CB-O 3.25Å; D759-Q761 PolarHBondContact O-N 2.97Å; D759-Q761 WeakPolarHBondContact OD1-CA 3.03Å; D759-Q761 WeakPolarHBondContact OD1-CB 3.46Å; D759-Q761 PolarHBondContact OD1-N 2.8Å; D759-T762 WeakPolarHBondContact CB-OG1 3.13Å; D759-T762 PolarHBondContact OD1-N 3.45Å; D759-G763 WeakPolarHBondContact O-CA 3.39Å; D759-G763 PolarHBondContact O-N 2.81Å; D759-E764 PolarHBondContact N-O 3.32Å | ||
| 760 | P | 72.9 | Confident | 74.4 | Confident | 35 Ų | 35 | 60 Ų | 60 | 23% | 0.227 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -32.9 | 179.3 | -31.2 | 38 | 0 | 0 | 0 | 115.2 | G721 C731 W736 G737 | G721-P760 VanDerWaalsContact CA-C 3.49Å; G721-P760 WeakPolarHBondContact CA-O 3.02Å; G721-P760 PolarHBondContact N-O 3.18Å; C731-P760 HydrophobicContact CB-CB 3.96Å; W736-P760 CarbonylContact C-O 3.56Å; W736-P760 VanDerWaalsContact CA-O 3.25Å; W736-P760 WeakPolarHBondContact CA-O 3.43Å; W736-P760 WeakPolarHBondContact CB-O 3.34Å; G737-P760 PolarHBondContact N-O 3.03Å |
| 761 | Q | 74.8 | Confident | 75 | Confident | 124 Ų | 124 | 61 Ų | 61 | 58% | 0.579 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -45.8 | -176.1 | -52.1 | -162.7 | -22.2 | 0 | 0 | 111.8 | P720 D759 | P720-Q761 WeakPolarHBondContact O-CG 3.31Å; D759-Q761 PolarHBondContact O-N 2.97Å; D759-Q761 WeakPolarHBondContact OD1-CA 3.03Å; D759-Q761 WeakPolarHBondContact OD1-CB 3.46Å; D759-Q761 PolarHBondContact OD1-N 2.8Å |
| 762 | T | 79.8 | Confident | 75.8 | Confident | 72 Ų | 72 | 58.5 Ų | 58.5 | 44% | 0.442 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -21.1 | -169.2 | 72.2 | 0 | 0 | 0 | 0 | 114.8 | D759 E764 | D759-T762 WeakPolarHBondContact CB-OG1 3.13Å; D759-T762 PolarHBondContact OD1-N 3.45Å; T762-E764 VanDerWaalsContact C-N 3.26Å; T762-E764 PolarHBondContact O-N 3.33Å; T762-E764 WeakPolarHBondContact OG1-CG 3.28Å; T762-E764 PolarHBondContact OG1-N 3.47Å; T762-E764 PolarHBondContact OG1-OE2 3.31Å |
| 763 | G | 76.4 | Confident | 75.8 | Confident | 5 Ų | 5 | 51.6 Ų | 51.6 | 5% | 0.052 | 26% | 0.26 | C | S | . | . | trans | 76.1 | 5.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115 | W736 P745 C758 D759 | W736-G763 VanDerWaalsContact CD2-CA 3.48Å; P745-G763 VanDerWaalsContact CD-O 3.25Å; P745-G763 WeakPolarHBondContact CD-O 3.34Å; P745-G763 WeakPolarHBondContact CG-O 3.25Å; C758-G763 WeakPolarHBondContact CB-O 3.34Å; D759-G763 WeakPolarHBondContact O-CA 3.39Å; D759-G763 PolarHBondContact O-N 2.81Å | ||
| 764 | E | 81 | Confident | 75.6 | Confident | 139 Ų | 139 | 53.6 Ų | 53.6 | 65% | 0.65 | 28% | 0.281 | S | S | * | . | P | Polyproline II helix | trans | -72.3 | 143.8 | 177.1 | -67.5 | 179.3 | 136.3 | 0 | 0 | 112.1 | C758 D759 T762 I766 | C758-E764 CarbonylContact C-O 3.52Å; C758-E764 WeakPolarHBondContact CA-O 3.23Å; C758-E764 WeakPolarHBondContact CB-O 3.46Å; D759-E764 PolarHBondContact N-O 3.32Å; T762-E764 VanDerWaalsContact C-N 3.26Å; T762-E764 PolarHBondContact O-N 3.33Å; T762-E764 WeakPolarHBondContact OG1-CG 3.28Å; T762-E764 PolarHBondContact OG1-N 3.47Å; T762-E764 PolarHBondContact OG1-OE2 3.31Å; E764-I766 PolarHBondContact O-N 3.39Å |
| 765 | C | 79.1 | Confident | 75.5 | Confident | 26 Ų | 26 | 54.1 Ų | 54.1 | 18% | 0.176 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 128.8 | -177.4 | -53.4 | 0 | 0 | 0 | 0 | 112.8 | C748 T755 G757 | C748-C765 WeakPolarHBondContact CA-SG 3.36Å; C748-C765 HydrophobicContact CB-CB 3.88Å; C748-C765 WeakPolarHBondContact CB-SG 3.15Å; C748-C765 WeakPolarHBondContact SG-CA 3.48Å; C748-C765 WeakPolarHBondContact SG-CB 3.39Å; C748-C765 CovalentContact SG-SG 2.04Å; C748-C765 PolarHBondContact SG-SG 2.94Å; T755-C765 HydrophobicContact CG2-CB 3.89Å; G757-C765 WeakPolarHBondContact O-CA 3.34Å |
| 766 | I | 75.1 | Confident | 75.6 | Confident | 47 Ų | 47 | 53.4 Ų | 53.4 | 24% | 0.241 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 126.6 | 172.4 | -58.1 | 172.2 | 0 | 0 | 0 | 108.4 | T755 K756 G757 C758 E764 F787 | T755-I766 CarbonylContact C-O 3.59Å; T755-I766 VanDerWaalsContact CA-O 3.25Å; T755-I766 WeakPolarHBondContact CA-O 3.47Å; K756-I766 HydrophobicContact CB-CG2 4.4Å; K756-I766 PolarHBondContact N-O 2.03Å; G757-I766 PolarHBondContact O-N 2.89Å; C758-I766 WeakPolarHBondContact O-CD1 3.34Å; E764-I766 PolarHBondContact O-N 3.39Å; I766-F787 HydrophobicContact CG2-CD1 4.22Å |
| 767 | C | 79.9 | Confident | 75.9 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 148 | 175.8 | -54.2 | 0 | 0 | 0 | 0 | 112.1 | H754 Y771 P773 C776 F787 N788 | H754-C767 CarbonylContact O-C 3.52Å; H754-C767 WeakPolarHBondContact O-CA 3.47Å; C767-Y771 WeakPolarHBondContact CB-O 3.31Å; C767-P773 VanDerWaalsContact SG-N 3.44Å; C767-C776 WeakPolarHBondContact CA-SG 3.48Å; C767-C776 HydrophobicContact CB-CB 3.73Å; C767-C776 WeakPolarHBondContact CB-SG 3.08Å; C767-C776 WeakPolarHBondContact SG-CA 3.5Å; C767-C776 WeakPolarHBondContact SG-CB 3.46Å; C767-C776 CovalentContact SG-SG 2.04Å; C767-C776 PolarHBondContact SG-SG 3.06Å; C767-F787 VanDerWaalsContact O-CD1 3.23Å; C767-F787 WeakPolarHBondContact O-CD1 3.42Å; C767-N788 WeakPolarHBondContact CB-OD1 3.49Å; C767-N788 PolarHBondContact N-OD1 2.89Å |
| 768 | K | 74.6 | Confident | 75.9 | Confident | 90 Ų | 90 | 57.3 Ų | 57.3 | 39% | 0.391 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 155.4 | 167.4 | -67.9 | 175.9 | -170.6 | 175.8 | 0 | 109.7 | H754 T755 G770 Y771 | H754-K768 HydrophobicContact CB-CB 4.42Å; H754-K768 HydrophobicContact CB-CD 4.27Å; H754-K768 WeakPolarHBondContact O-CB 3.3Å; H754-K768 WeakPolarHBondContact O-CG 3.25Å; H754-K768 PolarHBondContact O-N 3.31Å; T755-K768 WeakPolarHBondContact O-CE 3.26Å; K768-G770 PolarHBondContact O-N 3.17Å; K768-Y771 HydrophobicContact CB-CD2 4.24Å; K768-Y771 PolarHBondContact O-N 3.27Å |
| 769 | P | 73.6 | Confident | 75.6 | Confident | 37 Ų | 37 | 60.6 Ų | 60.6 | 24% | 0.24 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 136.2 | 175.9 | -25.1 | 35.1 | 0 | 0 | 0 | 111.4 | G786 F787 V803 | P769-G786 WeakPolarHBondContact CA-O 3.32Å; P769-F787 HydrophobicContact CG-CD1 4.27Å; P769-F787 HydrophobicContact CG-CD2 4Å; P769-F787 HydrophobicContact CG-CE1 3.92Å; P769-F787 HydrophobicContact CG-CE2 3.64Å; P769-F787 HydrophobicContact CG-CG 4.3Å; P769-F787 HydrophobicContact CG-CZ 3.58Å; P769-V803 HydrophobicContact CB-CG1 4.18Å |
| 770 | G | 74.6 | Confident | 75.6 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.6 | 3.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116 | K768 P779 C780 G786 P802 | K768-G770 PolarHBondContact O-N 3.17Å; G770-P779 CarbonylContact O-C 3.53Å; G770-P779 WeakPolarHBondContact O-CA 3.09Å; G770-C780 WeakPolarHBondContact CA-SG 3.35Å; G770-C780 PolarHBondContact O-N 2.89Å; G770-G786 PolarHBondContact N-O 3.02Å; G770-G786 VanDerWaalsContact N-O 3.09Å; G770-P802 WeakPolarHBondContact CA-O 3.38Å; G770-P802 PolarHBondContact N-O 2.87Å |
| 771 | Y | 83.8 | Confident | 75.8 | Confident | 65 Ų | 65 | 59.7 Ų | 59.7 | 26% | 0.255 | 32% | 0.323 | S | S | . | . | B | Isolated β-bridge | trans | -129.1 | 148.8 | 178.7 | -61.8 | -90.8 | 0 | 0 | 0 | 113.2 | H754 C767 K768 L778 C789 | H754-Y771 HydrophobicContact CB-CD1 3.85Å; H754-Y771 HydrophobicContact CB-CD2 3.61Å; H754-Y771 HydrophobicContact CB-CE1 4.05Å; H754-Y771 HydrophobicContact CB-CE2 3.82Å; H754-Y771 HydrophobicContact CB-CG 3.62Å; H754-Y771 AromaticContact CD2-CE1 3.75Å; H754-Y771 AromaticContact CD2-CE2 3.85Å; H754-Y771 AromaticContact CD2-CZ 3.4Å; H754-Y771 PolarHBondContact CD2-OH 2.95Å; H754-Y771 AromaticContact CE1-CE1 3.45Å; H754-Y771 VanDerWaalsContact CE1-CE1 3.45Å; H754-Y771 WeakPolarHBondContact CE1-CE1 3.49Å; H754-Y771 AromaticContact CE1-CZ 3.85Å; H754-Y771 AromaticContact CG-CD1 3.69Å; H754-Y771 AromaticContact CG-CE1 3.42Å; H754-Y771 VanDerWaalsContact CG-CE1 3.42Å; H754-Y771 AromaticContact CG-CE2 3.78Å; H754-Y771 AromaticContact CG-CG 3.96Å; H754-Y771 AromaticContact CG-CZ 3.46Å; H754-Y771 VanDerWaalsContact CG-CZ 3.46Å; H754-Y771 AromaticContact ND1-CD1 3.49Å; H754-Y771 WeakPolarHBondContact ND1-CD1 3.35Å; H754-Y771 AromaticContact ND1-CE1 3.23Å; H754-Y771 WeakPolarHBondContact ND1-CE1 3.3Å; H754-Y771 AromaticContact ND1-CZ 3.74Å; H754-Y771 AromaticContact NE2-CE1 3.78Å; H754-Y771 AromaticContact NE2-CZ 3.67Å; H754-Y771 PolarHBondContact NE2-OH 3.21Å; C767-Y771 WeakPolarHBondContact CB-O 3.31Å; K768-Y771 HydrophobicContact CB-CD2 4.24Å; K768-Y771 PolarHBondContact O-N 3.27Å; Y771-L778 VanDerWaalsContact CA-O 3.31Å; Y771-L778 WeakPolarHBondContact CA-O 3.41Å; Y771-C789 PolarHBondContact O-SG 3.1Å |
| 772 | Q | 76.5 | Confident | 75.7 | Confident | 62 Ų | 62 | 59.4 Ų | 59.4 | 29% | 0.29 | 33% | 0.332 | S | S | . | . | trans | -106.8 | 145.6 | -175.5 | 65 | -174.9 | -75.9 | 0 | 0 | 114.1 | C776 L778 P779 | Q772-C776 WeakPolarHBondContact O-CA 3.05Å; Q772-C776 PolarHBondContact O-N 2.95Å; Q772-L778 HydrophobicContact CG-CB 3.68Å; Q772-L778 PolarHBondContact N-O 3.37Å; Q772-P779 PolarHBondContact NE2-O 2.03Å | ||
| 773 | P | 68.3 | Low | 75.3 | Confident | 58 Ų | 58 | 58.5 Ų | 58.5 | 38% | 0.377 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 167 | 170.4 | -19.4 | 32.8 | 0 | 0 | 0 | 112.8 | C767 N788 | C767-P773 VanDerWaalsContact SG-N 3.44Å; P773-N788 HydrophobicContact CG-CB 3.94Å |
| 774 | P | 62.3 | Low | 75.4 | Confident | 103 Ų | 103 | 63.4 Ų | 63.4 | 67% | 0.669 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -81.6 | -28.3 | -0.2 | 32 | -34.6 | 0 | 0 | 0 | 113.7 | ||
| 775 | D | 70.7 | Confident | 75.5 | Confident | 71 Ų | 71 | 57.7 Ų | 57.7 | 38% | 0.38 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -13.2 | -170.3 | -66.3 | -67.2 | 0 | 0 | 0 | 115.1 | R753 I777 | R753-D775 IonicContact CZ-OD1 2.7Å; R753-D775 IonicContact NH1-OD1 3.18Å; R753-D775 PolarHBondContact NH1-OD1 3.15Å; R753-D775 IonicContact NH2-OD1 3.12Å; R753-D775 PolarHBondContact NH2-OD1 3.12Å; D775-I777 HydrophobicContact CB-CB 4.41Å; D775-I777 HydrophobicContact CB-CD1 3.77Å; D775-I777 HydrophobicContact CB-CG1 3.89Å; D775-I777 PolarHBondContact O-N 3.01Å |
| 776 | C | 74.2 | Confident | 74.9 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | S | Bend | trans | 54.2 | 34.9 | -171.9 | -50.4 | 0 | 0 | 0 | 0 | 113.4 | H754 T755 C767 Q772 | H754-C776 VanDerWaalsContact CB-O 3.25Å; H754-C776 WeakPolarHBondContact CB-O 3.43Å; H754-C776 PolarHBondContact N-O 2.79Å; H754-C776 PolarHBondContact ND1-O 2.02Å; H754-C776 WeakPolarHBondContact O-CB 3.43Å; T755-C776 HydrophobicContact CG2-CB 3.92Å; C767-C776 WeakPolarHBondContact CA-SG 3.48Å; C767-C776 HydrophobicContact CB-CB 3.73Å; C767-C776 WeakPolarHBondContact CB-SG 3.08Å; C767-C776 WeakPolarHBondContact SG-CA 3.5Å; C767-C776 WeakPolarHBondContact SG-CB 3.46Å; C767-C776 CovalentContact SG-SG 2.04Å; C767-C776 PolarHBondContact SG-SG 3.06Å; Q772-C776 WeakPolarHBondContact O-CA 3.05Å; Q772-C776 PolarHBondContact O-N 2.95Å |
| 777 | I | 77.5 | Confident | 74.8 | Confident | 95 Ų | 95 | 59 Ų | 59 | 49% | 0.487 | 32% | 0.322 | S | S | . | . | trans | -99.5 | -43 | 176.4 | -64.2 | 171.6 | 0 | 0 | 0 | 110.6 | D775 | D775-I777 HydrophobicContact CB-CB 4.41Å; D775-I777 HydrophobicContact CB-CD1 3.77Å; D775-I777 HydrophobicContact CB-CG1 3.89Å; D775-I777 PolarHBondContact O-N 3.01Å | ||
| 778 | L | 75.9 | Confident | 74.3 | Confident | 109 Ų | 109 | 61 Ų | 61 | 57% | 0.571 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -79.3 | 138.7 | -175.9 | -75.9 | 163.4 | 0 | 0 | 0 | 111.6 | Y771 Q772 | Y771-L778 VanDerWaalsContact CA-O 3.31Å; Y771-L778 WeakPolarHBondContact CA-O 3.41Å; Q772-L778 HydrophobicContact CG-CB 3.68Å; Q772-L778 PolarHBondContact N-O 3.37Å |
| 779 | P | 77.5 | Confident | 74.5 | Confident | 78 Ų | 78 | 57.2 Ų | 57.2 | 51% | 0.506 | 32% | 0.318 | S | S | . | . | B | Isolated β-bridge | trans | -71.6 | 168.5 | 172.4 | 32.1 | -35.7 | 0 | 0 | 0 | 111.7 | G770 Q772 | G770-P779 CarbonylContact O-C 3.53Å; G770-P779 WeakPolarHBondContact O-CA 3.09Å; Q772-P779 PolarHBondContact NE2-O 2.03Å |
| 780 | C | 78.3 | Confident | 74.5 | Confident | 16 Ų | 16 | 63.8 Ų | 63.8 | 11% | 0.108 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -64 | 146.3 | 176.7 | -64.7 | 0 | 0 | 0 | 0 | 113.4 | G770 Y784 C789 P802 | G770-C780 WeakPolarHBondContact CA-SG 3.35Å; G770-C780 PolarHBondContact O-N 2.89Å; C780-Y784 VanDerWaalsContact CB-O 3.28Å; C780-Y784 WeakPolarHBondContact CB-O 3.36Å; C780-C789 WeakPolarHBondContact CA-SG 3.16Å; C780-C789 HydrophobicContact CB-CB 3.81Å; C780-C789 WeakPolarHBondContact CB-SG 3.19Å; C780-C789 VanDerWaalsContact SG-CA 3.5Å; C780-C789 WeakPolarHBondContact SG-CB 3.2Å; C780-C789 CovalentContact SG-SG 2.03Å; C780-C789 PolarHBondContact SG-SG 3.19Å; C780-P802 HydrophobicContact CB-CB 4.05Å |
| 781 | P | 78 | Confident | 74.3 | Confident | 54 Ų | 54 | 68.6 Ų | 68.6 | 35% | 0.351 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 157.8 | 169.8 | -19.3 | 31.9 | 0 | 0 | 0 | 112.3 | S783 Y784 | P781-S783 PolarHBondContact O-N 2.7Å; P781-Y784 HydrophobicContact CB-CD2 3.99Å; P781-Y784 HydrophobicContact CG-CD2 4.46Å; P781-Y784 PolarHBondContact O-N 3.07Å |
| 782 | P | 72.6 | Confident | 73.6 | Confident | 118 Ų | 118 | 68.5 Ų | 68.5 | 77% | 0.766 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 139.1 | 173.1 | -26.4 | 35.3 | 0 | 0 | 0 | 112.4 | Y784 | P782-Y784 VanDerWaalsContact C-N 3.27Å; P782-Y784 WeakPolarHBondContact O-CD2 3.3Å; P782-Y784 PolarHBondContact O-N 3.18Å |
| 783 | S | 71.1 | Confident | 73.1 | Confident | 53 Ų | 53 | 65.9 Ų | 65.9 | 37% | 0.371 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | 0.8 | -173 | -50.1 | 0 | 0 | 0 | 0 | 117 | P781 T792 C793 | P781-S783 PolarHBondContact O-N 2.7Å; S783-T792 CarbonylContact O-C 3.56Å; S783-T792 VanDerWaalsContact O-CA 3.31Å; S783-T792 WeakPolarHBondContact O-CA 3.43Å; S783-C793 PolarHBondContact O-N 3.34Å; S783-C793 PolarHBondContact O-SG 2.04Å |
| 784 | Y | 79.2 | Confident | 72.5 | Confident | 109 Ų | 109 | 71 Ų | 71 | 43% | 0.427 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 143.5 | 174.5 | -64.9 | -98.2 | 0 | 0 | 0 | 112.2 | C780 P781 P782 C789 M791 T792 | C780-Y784 VanDerWaalsContact CB-O 3.28Å; C780-Y784 WeakPolarHBondContact CB-O 3.36Å; P781-Y784 HydrophobicContact CB-CD2 3.99Å; P781-Y784 HydrophobicContact CG-CD2 4.46Å; P781-Y784 PolarHBondContact O-N 3.07Å; P782-Y784 VanDerWaalsContact C-N 3.27Å; P782-Y784 WeakPolarHBondContact O-CD2 3.3Å; P782-Y784 PolarHBondContact O-N 3.18Å; Y784-C789 WeakPolarHBondContact CD1-O 3.41Å; Y784-M791 CarbonylContact C-O 3.55Å; Y784-M791 VanDerWaalsContact CA-O 3.3Å; Y784-M791 WeakPolarHBondContact CA-O 3.4Å; Y784-T792 HydrophobicContact CD1-CG2 3.62Å; Y784-T792 HydrophobicContact CE1-CG2 3.44Å; Y784-T792 VanDerWaalsContact CE1-CG2 3.44Å; Y784-T792 HydrophobicContact CG-CG2 4.38Å |
| 785 | F | 81.8 | Confident | 72.6 | Confident | 18 Ų | 18 | 73 Ų | 73 | 8% | 0.079 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 175.8 | -179.2 | 73.4 | -88.1 | 0 | 0 | 0 | 113 | C789 M791 C793 P802 T819 | F785-C789 CarbonylContact O-C 3.54Å; F785-M791 HydrophobicContact CD1-CB 3.97Å; F785-M791 WeakPolarHBondContact CD1-O 3.33Å; F785-M791 HydrophobicContact CD2-CB 3.98Å; F785-M791 HydrophobicContact CD2-SD 4.27Å; F785-M791 HydrophobicContact CE1-CB 3.77Å; F785-M791 HydrophobicContact CE2-CB 3.78Å; F785-M791 HydrophobicContact CE2-CE 3.68Å; F785-M791 HydrophobicContact CE2-CG 4.39Å; F785-M791 HydrophobicContact CE2-SD 3.76Å; F785-M791 HydrophobicContact CG-CB 4.08Å; F785-M791 HydrophobicContact CZ-CB 3.69Å; F785-M791 HydrophobicContact CZ-CE 3.8Å; F785-M791 HydrophobicContact CZ-SD 4.32Å; F785-M791 PolarHBondContact N-O 3.45Å; F785-M791 WeakPolarHBondContact O-CB 3.48Å; F785-M791 PolarHBondContact O-N 3.03Å; F785-M791 VanDerWaalsContact O-N 3.17Å; F785-C793 HydrophobicContact CD1-CB 4.02Å; F785-C793 HydrophobicContact CE1-CB 3.91Å; F785-P802 CarbonylContact C-O 3.52Å; F785-P802 VanDerWaalsContact CA-O 3.25Å; F785-P802 WeakPolarHBondContact CA-O 3.27Å; F785-P802 WeakPolarHBondContact CB-O 3.2Å; F785-T819 HydrophobicContact CZ-CG2 4.2Å |
| 786 | G | 68.4 | Low | 72.1 | Confident | 5 Ų | 5 | 70.4 Ų | 70.4 | 5% | 0.052 | 37% | 0.369 | C | S | . | . | S | Bend | trans | 79.1 | -163.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | P769 G770 N788 C789 P802 | P769-G786 WeakPolarHBondContact CA-O 3.32Å; G770-G786 PolarHBondContact N-O 3.02Å; G770-G786 VanDerWaalsContact N-O 3.09Å; G786-N788 PolarHBondContact O-N 2.84Å; G786-C789 PolarHBondContact O-N 3.41Å; G786-P802 PolarHBondContact N-O 2.96Å |
| 787 | F | 72.2 | Confident | 71.6 | Confident | 97 Ų | 97 | 78.8 Ų | 78.8 | 43% | 0.425 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -65.7 | 130.1 | -177.2 | -80.3 | -82.3 | 0 | 0 | 0 | 111.9 | K756 I766 C767 P769 C789 K790 | K756-F787 HydrophobicContact CD-CE1 3.75Å; K756-F787 HydrophobicContact CD-CZ 4.06Å; I766-F787 HydrophobicContact CG2-CD1 4.22Å; C767-F787 VanDerWaalsContact O-CD1 3.23Å; C767-F787 WeakPolarHBondContact O-CD1 3.42Å; P769-F787 HydrophobicContact CG-CD1 4.27Å; P769-F787 HydrophobicContact CG-CD2 4Å; P769-F787 HydrophobicContact CG-CE1 3.92Å; P769-F787 HydrophobicContact CG-CE2 3.64Å; P769-F787 HydrophobicContact CG-CG 4.3Å; P769-F787 HydrophobicContact CG-CZ 3.58Å; F787-C789 PolarHBondContact O-N 3.39Å; F787-K790 PolarHBondContact O-N 3.3Å; F787-K790 VanDerWaalsContact O-N 3.12Å |
| 788 | N | 70 | Confident | 71 | Confident | 40 Ų | 40 | 80.1 Ų | 80.1 | 21% | 0.214 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | 48.2 | 26.5 | -175 | -62.9 | 1.4 | 0 | 0 | 0 | 113.7 | C767 P773 G786 K790 | C767-N788 WeakPolarHBondContact CB-OD1 3.49Å; C767-N788 PolarHBondContact N-OD1 2.89Å; P773-N788 HydrophobicContact CG-CB 3.94Å; G786-N788 PolarHBondContact O-N 2.84Å; N788-K790 HydrophobicContact CB-CG 4.34Å; N788-K790 PolarHBondContact O-N 3.32Å |
| 789 | C | 77.7 | Confident | 70.4 | Confident | 12 Ų | 12 | 75.5 Ų | 75.5 | 8% | 0.081 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | 54.6 | 29.5 | -176.1 | -50 | 0 | 0 | 0 | 0 | 115 | Y771 C780 Y784 F785 G786 F787 | Y771-C789 PolarHBondContact O-SG 3.1Å; C780-C789 WeakPolarHBondContact CA-SG 3.16Å; C780-C789 HydrophobicContact CB-CB 3.81Å; C780-C789 WeakPolarHBondContact CB-SG 3.19Å; C780-C789 VanDerWaalsContact SG-CA 3.5Å; C780-C789 WeakPolarHBondContact SG-CB 3.2Å; C780-C789 CovalentContact SG-SG 2.03Å; C780-C789 PolarHBondContact SG-SG 3.19Å; Y784-C789 WeakPolarHBondContact CD1-O 3.41Å; F785-C789 CarbonylContact O-C 3.54Å; G786-C789 PolarHBondContact O-N 3.41Å; F787-C789 PolarHBondContact O-N 3.39Å |
| 790 | K | 74.6 | Confident | 70.2 | Confident | 174 Ų | 174 | 72.4 Ų | 72.4 | 76% | 0.757 | 38% | 0.375 | S | S | * | . | trans | -78.6 | -12.6 | -176.2 | -73.4 | -173.6 | 174.1 | -177.9 | 0 | 115.1 | F787 N788 | F787-K790 PolarHBondContact O-N 3.3Å; F787-K790 VanDerWaalsContact O-N 3.12Å; N788-K790 HydrophobicContact CB-CG 4.34Å; N788-K790 PolarHBondContact O-N 3.32Å | ||
| 791 | M | 70.1 | Confident | 70.2 | Confident | 103 Ų | 103 | 74.3 Ų | 74.3 | 51% | 0.507 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 140.6 | -176.9 | -56.1 | 178.4 | 72 | 0 | 0 | 110.6 | Y784 F785 | Y784-M791 CarbonylContact C-O 3.55Å; Y784-M791 VanDerWaalsContact CA-O 3.3Å; Y784-M791 WeakPolarHBondContact CA-O 3.4Å; F785-M791 HydrophobicContact CD1-CB 3.97Å; F785-M791 WeakPolarHBondContact CD1-O 3.33Å; F785-M791 HydrophobicContact CD2-CB 3.98Å; F785-M791 HydrophobicContact CD2-SD 4.27Å; F785-M791 HydrophobicContact CE1-CB 3.77Å; F785-M791 HydrophobicContact CE2-CB 3.78Å; F785-M791 HydrophobicContact CE2-CE 3.68Å; F785-M791 HydrophobicContact CE2-CG 4.39Å; F785-M791 HydrophobicContact CE2-SD 3.76Å; F785-M791 HydrophobicContact CG-CB 4.08Å; F785-M791 HydrophobicContact CZ-CB 3.69Å; F785-M791 HydrophobicContact CZ-CE 3.8Å; F785-M791 HydrophobicContact CZ-SD 4.32Å; F785-M791 PolarHBondContact N-O 3.45Å; F785-M791 WeakPolarHBondContact O-CB 3.48Å; F785-M791 PolarHBondContact O-N 3.03Å; F785-M791 VanDerWaalsContact O-N 3.17Å |
| 792 | T | 68.7 | Low | 70 | Confident | 63 Ų | 63 | 74.1 Ų | 74.1 | 39% | 0.387 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 130.6 | 179.8 | 51 | 0 | 0 | 0 | 0 | 111.4 | S783 Y784 F794 | S783-T792 CarbonylContact O-C 3.56Å; S783-T792 VanDerWaalsContact O-CA 3.31Å; S783-T792 WeakPolarHBondContact O-CA 3.43Å; Y784-T792 HydrophobicContact CD1-CG2 3.62Å; Y784-T792 HydrophobicContact CE1-CG2 3.44Å; Y784-T792 VanDerWaalsContact CE1-CG2 3.44Å; Y784-T792 HydrophobicContact CG-CG2 4.38Å; T792-F794 WeakPolarHBondContact OG1-CE2 2.97Å |
| 793 | C | 65.5 | Low | 70 | Confident | 7 Ų | 7 | 72.3 Ų | 72.3 | 5% | 0.047 | 37% | 0.37 | C | S | . | . | trans | -89.5 | 113.3 | 173 | 57.7 | 0 | 0 | 0 | 0 | 110.1 | S783 F785 C800 | S783-C793 PolarHBondContact O-N 3.34Å; S783-C793 PolarHBondContact O-SG 2.04Å; F785-C793 HydrophobicContact CD1-CB 4.02Å; F785-C793 HydrophobicContact CE1-CB 3.91Å; C793-C800 HydrophobicContact CB-CB 3.69Å; C793-C800 WeakPolarHBondContact CB-SG 3.5Å; C793-C800 WeakPolarHBondContact SG-CB 3.4Å; C793-C800 CovalentContact SG-SG 2.03Å; C793-C800 PolarHBondContact SG-SG 3.41Å | ||
| 794 | F | 57.1 | Low | 69.9 | Low | 166 Ų | 166 | 73.5 Ų | 73.5 | 73% | 0.728 | 38% | 0.375 | S | S | * | . | trans | -79.2 | 143.1 | 177.2 | -79.3 | -95.7 | 0 | 0 | 0 | 110.9 | T792 C796 | T792-F794 WeakPolarHBondContact OG1-CE2 2.97Å; F794-C796 VanDerWaalsContact C-N 3.26Å; F794-C796 PolarHBondContact O-N 2.81Å | ||
| 795 | D | 62.5 | Low | 69.3 | Low | 145 Ų | 145 | 68.3 Ų | 68.3 | 78% | 0.775 | 36% | 0.355 | S | S | * | . | S | Bend | trans | 59 | 10.5 | 171.6 | -108.2 | -0.3 | 0 | 0 | 0 | 118.9 | Q797 | D795-Q797 PolarHBondContact O-N 3.23Å; D795-Q797 VanDerWaalsContact O-N 3.14Å |
| 796 | C | 61.7 | Low | 68.6 | Low | 17 Ų | 17 | 74.9 Ų | 74.9 | 12% | 0.115 | 38% | 0.379 | C | S | . | . | trans | -69.4 | 108 | 169 | -58 | 0 | 0 | 0 | 0 | 111.3 | F794 N798 G799 C807 | F794-C796 VanDerWaalsContact C-N 3.26Å; F794-C796 PolarHBondContact O-N 2.81Å; C796-N798 PolarHBondContact O-N 3.01Å; C796-G799 VanDerWaalsContact CB-O 3.28Å; C796-G799 WeakPolarHBondContact CB-O 3.38Å; C796-G799 PolarHBondContact O-N 3.27Å; C796-C807 HydrophobicContact CB-CB 3.78Å; C796-C807 WeakPolarHBondContact CB-SG 3.22Å; C796-C807 WeakPolarHBondContact SG-CA 3.09Å; C796-C807 WeakPolarHBondContact SG-CB 3.27Å; C796-C807 CovalentContact SG-SG 2.04Å; C796-C807 PolarHBondContact SG-SG 2.8Å | ||
| 797 | Q | 63.6 | Low | 68.5 | Low | 175 Ų | 175 | 75.4 Ų | 75.4 | 82% | 0.818 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -17.4 | -174.3 | -95 | -173.5 | -6 | 0 | 0 | 117.4 | D795 | D795-Q797 PolarHBondContact O-N 3.23Å; D795-Q797 VanDerWaalsContact O-N 3.14Å |
| 798 | N | 64.4 | Low | 68.2 | Low | 123 Ų | 123 | 76.3 Ų | 76.3 | 66% | 0.658 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.2 | 24.2 | 172.4 | -76.6 | -53.9 | 0 | 0 | 0 | 111.8 | C796 V809 | C796-N798 PolarHBondContact O-N 3.01Å; N798-V809 HydrophobicContact CB-CG2 4.07Å; N798-V809 WeakPolarHBondContact ND2-CG2 3.5Å |
| 799 | G | 64.3 | Low | 67.7 | Low | 12 Ų | 12 | 77.4 Ų | 77.4 | 12% | 0.124 | 40% | 0.398 | C | S | . | . | trans | 72.1 | -170.7 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | C796 L808 | C796-G799 VanDerWaalsContact CB-O 3.28Å; C796-G799 WeakPolarHBondContact CB-O 3.38Å; C796-G799 PolarHBondContact O-N 3.27Å; G799-L808 PolarHBondContact O-N 2.79Å | ||
| 800 | C | 72.8 | Confident | 66.8 | Low | 14 Ų | 14 | 82.1 Ų | 82.1 | 10% | 0.095 | 42% | 0.419 | C | S | . | . | B | Isolated β-bridge | trans | -127.1 | 164.3 | -175 | 53.1 | 0 | 0 | 0 | 0 | 112.9 | C793 G805 R806 | C793-C800 HydrophobicContact CB-CB 3.69Å; C793-C800 WeakPolarHBondContact CB-SG 3.5Å; C793-C800 WeakPolarHBondContact SG-CB 3.4Å; C793-C800 CovalentContact SG-SG 2.03Å; C793-C800 PolarHBondContact SG-SG 3.41Å; C800-G805 VanDerWaalsContact CB-O 3.23Å; C800-G805 WeakPolarHBondContact CB-O 3.03Å; C800-R806 CarbonylContact C-O 3.58Å; C800-R806 VanDerWaalsContact CA-O 3.24Å; C800-R806 WeakPolarHBondContact CA-O 3.2Å; C800-R806 WeakPolarHBondContact CB-O 3.42Å |
| 801 | D | 77.6 | Confident | 66.4 | Low | 55 Ų | 55 | 74.4 Ų | 74.4 | 29% | 0.294 | 39% | 0.387 | S | S | . | . | trans | -57.5 | 124 | 165.5 | -178.5 | -71.7 | 0 | 0 | 0 | 110.6 | V803 T804 G805 R806 | D801-V803 VanDerWaalsContact C-N 3.26Å; D801-V803 PolarHBondContact O-N 3.17Å; D801-V803 WeakPolarHBondContact OD1-CA 3.11Å; D801-V803 WeakPolarHBondContact OD1-CB 3.08Å; D801-V803 PolarHBondContact OD1-N 3.33Å; D801-T804 PolarHBondContact OD1-N 2.04Å; D801-T804 PolarHBondContact OD1-OG1 3.4Å; D801-G805 VanDerWaalsContact O-CA 3.29Å; D801-G805 WeakPolarHBondContact O-CA 3.38Å; D801-G805 PolarHBondContact O-N 3.41Å; D801-R806 HydrophobicContact CB-CB 4.2Å; D801-R806 PolarHBondContact N-O 2.77Å | ||
| 802 | P | 73.2 | Confident | 66.2 | Low | 50 Ų | 50 | 72.1 Ų | 72.1 | 33% | 0.325 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -15 | -173.3 | 29.7 | -35.9 | 0 | 0 | 0 | 113.8 | G770 C780 F785 G786 | G770-P802 WeakPolarHBondContact CA-O 3.38Å; G770-P802 PolarHBondContact N-O 2.87Å; C780-P802 HydrophobicContact CB-CB 4.05Å; F785-P802 CarbonylContact C-O 3.52Å; F785-P802 VanDerWaalsContact CA-O 3.25Å; F785-P802 WeakPolarHBondContact CA-O 3.27Å; F785-P802 WeakPolarHBondContact CB-O 3.2Å; G786-P802 PolarHBondContact N-O 2.96Å |
| 803 | V | 73.8 | Confident | 66.3 | Low | 80 Ų | 80 | 72 Ų | 72 | 49% | 0.485 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -43.2 | 177.4 | 176.4 | 0 | 0 | 0 | 0 | 110.4 | P769 D801 | P769-V803 HydrophobicContact CB-CG1 4.18Å; D801-V803 VanDerWaalsContact C-N 3.26Å; D801-V803 PolarHBondContact O-N 3.17Å; D801-V803 WeakPolarHBondContact OD1-CA 3.11Å; D801-V803 WeakPolarHBondContact OD1-CB 3.08Å; D801-V803 PolarHBondContact OD1-N 3.33Å |
| 804 | T | 68.5 | Low | 66.5 | Low | 79 Ų | 79 | 71.9 Ų | 71.9 | 49% | 0.485 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | -5.4 | -168.9 | 76.8 | 0 | 0 | 0 | 0 | 115.2 | D801 R806 | D801-T804 PolarHBondContact OD1-N 2.04Å; D801-T804 PolarHBondContact OD1-OG1 3.4Å; T804-R806 PolarHBondContact O-N 2.02Å; T804-R806 VanDerWaalsContact O-N 3.17Å; T804-R806 VanDerWaalsContact OG1-CB 3.3Å; T804-R806 WeakPolarHBondContact OG1-CB 3.02Å; T804-R806 PolarHBondContact OG1-N 3.29Å |
| 805 | G | 66.6 | Low | 67.3 | Low | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 36% | 0.36 | C | S | . | . | trans | 70.4 | 3.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | C800 D801 C807 T819 | C800-G805 VanDerWaalsContact CB-O 3.23Å; C800-G805 WeakPolarHBondContact CB-O 3.03Å; D801-G805 VanDerWaalsContact O-CA 3.29Å; D801-G805 WeakPolarHBondContact O-CA 3.38Å; D801-G805 PolarHBondContact O-N 3.41Å; G805-C807 PolarHBondContact O-N 2.84Å; G805-T819 VanDerWaalsContact O-CG2 3.23Å; G805-T819 WeakPolarHBondContact O-CG2 3.39Å | ||
| 806 | R | 67.5 | Low | 67.9 | Low | 156 Ų | 156 | 62.8 Ų | 62.8 | 59% | 0.589 | 33% | 0.334 | S | S | * | . | trans | -67.4 | 123.9 | -173.2 | -178.1 | 178.5 | 179.1 | 172.2 | 1.2 | 110.4 | C800 D801 T804 L808 L818 | C800-R806 CarbonylContact C-O 3.58Å; C800-R806 VanDerWaalsContact CA-O 3.24Å; C800-R806 WeakPolarHBondContact CA-O 3.2Å; C800-R806 WeakPolarHBondContact CB-O 3.42Å; D801-R806 HydrophobicContact CB-CB 4.2Å; D801-R806 PolarHBondContact N-O 2.77Å; T804-R806 PolarHBondContact O-N 2.02Å; T804-R806 VanDerWaalsContact O-N 3.17Å; T804-R806 VanDerWaalsContact OG1-CB 3.3Å; T804-R806 WeakPolarHBondContact OG1-CB 3.02Å; T804-R806 PolarHBondContact OG1-N 3.29Å; R806-L808 PolarHBondContact O-N 3.01Å; R806-L818 WeakPolarHBondContact CA-O 3.02Å; R806-L818 HydrophobicContact CG-CD2 4.35Å | ||
| 807 | C | 66.5 | Low | 68 | Low | 15 Ų | 15 | 63.3 Ų | 63.3 | 10% | 0.101 | 34% | 0.342 | C | S | . | . | B | Isolated β-bridge | trans | -58.9 | 138 | 175.4 | -66.1 | 0 | 0 | 0 | 0 | 110.6 | C796 G805 V809 L818 C820 | C796-C807 HydrophobicContact CB-CB 3.78Å; C796-C807 WeakPolarHBondContact CB-SG 3.22Å; C796-C807 WeakPolarHBondContact SG-CA 3.09Å; C796-C807 WeakPolarHBondContact SG-CB 3.27Å; C796-C807 CovalentContact SG-SG 2.04Å; C796-C807 PolarHBondContact SG-SG 2.8Å; G805-C807 PolarHBondContact O-N 2.84Å; C807-V809 PolarHBondContact O-N 3.15Å; C807-L818 PolarHBondContact N-O 2.72Å; C807-C820 PolarHBondContact SG-SG 2.04Å |
| 808 | L | 65.8 | Low | 67.9 | Low | 116 Ų | 116 | 60.3 Ų | 60.3 | 61% | 0.607 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -76.7 | 1.8 | -179.5 | -63.3 | 172.4 | 0 | 0 | 0 | 113.6 | G799 R806 | G799-L808 PolarHBondContact O-N 2.79Å; R806-L808 PolarHBondContact O-N 3.01Å |
| 809 | V | 58.9 | Low | 67.6 | Low | 63 Ų | 63 | 56 Ų | 56 | 38% | 0.382 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -143.6 | 158.3 | -175.5 | -168.8 | 0 | 0 | 0 | 0 | 109 | N798 C807 | N798-V809 HydrophobicContact CB-CG2 4.07Å; N798-V809 WeakPolarHBondContact ND2-CG2 3.5Å; C807-V809 PolarHBondContact O-N 3.15Å |
| 810 | E | 59.8 | Low | 67.7 | Low | 112 Ų | 112 | 56 Ų | 56 | 52% | 0.523 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -52.4 | 140.3 | 174.7 | -62.2 | 177.6 | 165.8 | 0 | 0 | 113.5 | K831 | E810-K831 WeakPolarHBondContact OE2-CD 3.18Å; E810-K831 WeakPolarHBondContact OE2-CE 3.19Å; E810-K831 IonicContact OE2-NZ 3.38Å; E810-K831 PolarHBondContact OE2-NZ 3.41Å |
| 811 | C | 64.7 | Low | 67.4 | Low | 12 Ų | 12 | 59.6 Ų | 59.6 | 8% | 0.081 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 149.6 | 174 | -64.2 | 0 | 0 | 0 | 0 | 113 | C820 | C811-C820 WeakPolarHBondContact CA-SG 3.38Å; C811-C820 HydrophobicContact CB-CB 3.86Å; C811-C820 WeakPolarHBondContact CB-SG 3.41Å; C811-C820 WeakPolarHBondContact SG-CA 3.33Å; C811-C820 WeakPolarHBondContact SG-CB 3.39Å; C811-C820 CovalentContact SG-SG 2.04Å; C811-C820 PolarHBondContact SG-SG 2.03Å |
| 812 | P | 67 | Low | 66.9 | Low | 55 Ų | 55 | 61.3 Ų | 61.3 | 36% | 0.357 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 158.6 | 174.1 | 26.7 | -34.7 | 0 | 0 | 0 | 112.2 | G814 K815 | P812-G814 PolarHBondContact O-N 3.01Å; P812-K815 PolarHBondContact O-N 3.41Å |
| 813 | P | 70.5 | Confident | 66.9 | Low | 61 Ų | 61 | 64 Ų | 64 | 40% | 0.396 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 139.2 | 177.5 | -22.8 | 33.6 | 0 | 0 | 0 | 112 | K815 K831 T853 | P813-K815 VanDerWaalsContact C-N 3.35Å; P813-K831 HydrophobicContact CG-CG 4.24Å; P813-T853 HydrophobicContact CB-CG2 4.41Å; P813-T853 VanDerWaalsContact O-CG2 3.22Å; P813-T853 WeakPolarHBondContact O-CG2 3.21Å |
| 814 | G | 70.2 | Confident | 67.1 | Low | 4 Ų | 4 | 61 Ų | 61 | 4% | 0.041 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | -7.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | P812 C824 G830 P852 | P812-G814 PolarHBondContact O-N 3.01Å; G814-C824 VanDerWaalsContact CA-SG 3.57Å; G814-C824 PolarHBondContact O-N 3.23Å; G814-C824 PolarHBondContact O-SG 3.37Å; G814-C824 VanDerWaalsContact O-SG 3.33Å; G814-G830 PolarHBondContact N-O 2.02Å; G814-P852 VanDerWaalsContact CA-O 3.25Å; G814-P852 WeakPolarHBondContact CA-O 3.19Å; G814-P852 PolarHBondContact N-O 3.18Å |
| 815 | K | 73.6 | Confident | 67.2 | Low | 70 Ų | 70 | 59.7 Ų | 59.7 | 30% | 0.304 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 152.4 | 175.8 | -63.9 | -144.9 | 178.5 | -116.3 | 0 | 114.6 | P812 P813 C820 Q822 D823 | P812-K815 PolarHBondContact O-N 3.41Å; P813-K815 VanDerWaalsContact C-N 3.35Å; K815-C820 WeakPolarHBondContact CD-O 2.99Å; K815-Q822 CarbonylContact C-O 3.35Å; K815-Q822 VanDerWaalsContact CA-O 3.29Å; K815-Q822 WeakPolarHBondContact CA-O 3.37Å; K815-D823 WeakPolarHBondContact CE-OD1 3.04Å; K815-D823 IonicContact NZ-OD1 3.15Å; K815-D823 PolarHBondContact NZ-OD1 2.92Å; K815-D823 IonicContact NZ-OD2 2.8Å |
| 816 | H | 74.6 | Confident | 67.2 | Low | 49 Ų | 49 | 65.2 Ų | 65.2 | 23% | 0.227 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | -163 | 169.1 | 72.8 | 111.1 | 0 | 0 | 0 | 109.6 | C820 E821 Q822 D823 C833 | H816-C820 CarbonylContact O-C 3.53Å; H816-C820 WeakPolarHBondContact O-CA 3.39Å; H816-E821 PolarHBondContact O-N 2.87Å; H816-Q822 PolarHBondContact CD2-O 2.04Å; H816-Q822 PolarHBondContact CE1-OE1 2.04Å; H816-Q822 PolarHBondContact N-O 2.93Å; H816-Q822 PolarHBondContact ND1-OE1 3.5Å; H816-Q822 PolarHBondContact O-N 2.89Å; H816-D823 PolarHBondContact NE2-O 2.85Å; H816-C833 VanDerWaalsContact CD2-SG 3.5Å |
| 817 | G | 63.3 | Low | 67.4 | Low | 28 Ų | 28 | 57.9 Ų | 57.9 | 29% | 0.289 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 96.5 | 177.7 | -169.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E821 | G817-E821 WeakPolarHBondContact CA-OE2 3.43Š|
| 818 | L | 62.6 | Low | 68.2 | Low | 113 Ų | 113 | 61.6 Ų | 61.6 | 59% | 0.592 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -84.2 | -31.5 | -178.4 | -83.3 | 162 | 0 | 0 | 0 | 112.1 | R806 C807 E821 | R806-L818 WeakPolarHBondContact CA-O 3.02Å; R806-L818 HydrophobicContact CG-CD2 4.35Å; C807-L818 PolarHBondContact N-O 2.72Å; L818-E821 PolarHBondContact N-OE1 2.87Å; L818-E821 PolarHBondContact N-OE2 3.43Å |
| 819 | T | 58.3 | Low | 69.1 | Low | 32 Ų | 32 | 58.8 Ų | 58.8 | 20% | 0.196 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -113.7 | 23.9 | 178 | 81.7 | 0 | 0 | 0 | 0 | 111.2 | F785 G805 E821 | F785-T819 HydrophobicContact CZ-CG2 4.2Å; G805-T819 VanDerWaalsContact O-CG2 3.23Å; G805-T819 WeakPolarHBondContact O-CG2 3.39Å; T819-E821 VanDerWaalsContact C-OE2 3.29Å; T819-E821 WeakPolarHBondContact CA-OE2 3.32Å; T819-E821 PolarHBondContact N-OE2 2.81Å; T819-E821 PolarHBondContact O-N 3.25Å; T819-E821 PolarHBondContact OG1-OE2 3.48Å |
| 820 | C | 66.6 | Low | 69.9 | Low | 12 Ų | 12 | 56.1 Ų | 56.1 | 8% | 0.081 | 30% | 0.304 | C | S | . | . | S | Bend | trans | 54.5 | 33.7 | -174.5 | -51.3 | 0 | 0 | 0 | 0 | 114.1 | C807 C811 K815 H816 | C807-C820 PolarHBondContact SG-SG 2.04Å; C811-C820 WeakPolarHBondContact CA-SG 3.38Å; C811-C820 HydrophobicContact CB-CB 3.86Å; C811-C820 WeakPolarHBondContact CB-SG 3.41Å; C811-C820 WeakPolarHBondContact SG-CA 3.33Å; C811-C820 WeakPolarHBondContact SG-CB 3.39Å; C811-C820 CovalentContact SG-SG 2.04Å; C811-C820 PolarHBondContact SG-SG 2.03Å; K815-C820 WeakPolarHBondContact CD-O 2.99Å; H816-C820 CarbonylContact O-C 3.53Å; H816-C820 WeakPolarHBondContact O-CA 3.39Å |
| 821 | E | 65.8 | Low | 70.5 | Confident | 90 Ų | 90 | 55.9 Ų | 55.9 | 42% | 0.421 | 30% | 0.301 | S | S | . | . | trans | -87.5 | -15.7 | -174 | 74.3 | -71.8 | -172.7 | 0 | 0 | 114.3 | H816 G817 L818 T819 | H816-E821 PolarHBondContact O-N 2.87Å; G817-E821 WeakPolarHBondContact CA-OE2 3.43Å; L818-E821 PolarHBondContact N-OE1 2.87Å; L818-E821 PolarHBondContact N-OE2 3.43Å; T819-E821 VanDerWaalsContact C-OE2 3.29Å; T819-E821 WeakPolarHBondContact CA-OE2 3.32Å; T819-E821 PolarHBondContact N-OE2 2.81Å; T819-E821 PolarHBondContact O-N 3.25Å; T819-E821 PolarHBondContact OG1-OE2 3.48Å | ||
| 822 | Q | 67.7 | Low | 70.8 | Confident | 90 Ų | 90 | 61.1 Ų | 61.1 | 42% | 0.421 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 129.8 | -173.1 | -53.7 | -178.3 | -9.8 | 0 | 0 | 110.9 | K815 H816 | K815-Q822 CarbonylContact C-O 3.35Å; K815-Q822 VanDerWaalsContact CA-O 3.29Å; K815-Q822 WeakPolarHBondContact CA-O 3.37Å; H816-Q822 PolarHBondContact CD2-O 2.04Å; H816-Q822 PolarHBondContact CE1-OE1 2.04Å; H816-Q822 PolarHBondContact N-O 2.93Å; H816-Q822 PolarHBondContact ND1-OE1 3.5Å; H816-Q822 PolarHBondContact O-N 2.89Å |
| 823 | D | 72.6 | Confident | 71.4 | Confident | 107 Ų | 107 | 59 Ų | 59 | 57% | 0.572 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 148.8 | 173.2 | -60.6 | -42.5 | 0 | 0 | 0 | 110.8 | K815 H816 | K815-D823 WeakPolarHBondContact CE-OD1 3.04Å; K815-D823 IonicContact NZ-OD1 3.15Å; K815-D823 PolarHBondContact NZ-OD1 2.92Å; K815-D823 IonicContact NZ-OD2 2.8Å; H816-D823 PolarHBondContact NE2-O 2.85Å |
| 824 | C | 77.3 | Confident | 71.8 | Confident | 16 Ų | 16 | 60.2 Ų | 60.2 | 11% | 0.108 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -57 | 139.3 | -170.5 | -72.4 | 0 | 0 | 0 | 0 | 114.6 | G814 C833 P852 | G814-C824 VanDerWaalsContact CA-SG 3.57Å; G814-C824 PolarHBondContact O-N 3.23Å; G814-C824 PolarHBondContact O-SG 3.37Å; G814-C824 VanDerWaalsContact O-SG 3.33Å; C824-C833 WeakPolarHBondContact CA-SG 3.11Å; C824-C833 HydrophobicContact CB-CB 3.76Å; C824-C833 WeakPolarHBondContact CB-SG 3.02Å; C824-C833 WeakPolarHBondContact SG-CA 3.04Å; C824-C833 WeakPolarHBondContact SG-CB 3.34Å; C824-C833 CovalentContact SG-SG 2.03Å; C824-C833 PolarHBondContact SG-SG 2.02Å; C824-P852 HydrophobicContact CB-CB 3.74Å |
| 825 | P | 71.5 | Confident | 72.1 | Confident | 52 Ų | 52 | 67 Ų | 67 | 34% | 0.338 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -62 | 150.7 | -178.9 | -22.4 | 34 | 0 | 0 | 0 | 112.5 | G827 Y828 | P825-G827 PolarHBondContact O-N 2.03Å; P825-G827 VanDerWaalsContact O-N 3.11Å; P825-Y828 HydrophobicContact CB-CD2 4.05Å; P825-Y828 PolarHBondContact O-N 2.83Å |
| 826 | P | 67.2 | Low | 72.3 | Confident | 116 Ų | 116 | 68.3 Ų | 68.3 | 75% | 0.753 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 119.7 | 177.3 | -28.2 | 35.7 | 0 | 0 | 0 | 112.2 | T849 | P826-T849 HydrophobicContact CB-CG2 4.06Š|
| 827 | G | 70.8 | Confident | 72 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 100.8 | 1.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | P825 H836 C837 | P825-G827 PolarHBondContact O-N 2.03Å; P825-G827 VanDerWaalsContact O-N 3.11Å; G827-H836 CarbonylContact O-C 3.55Å; G827-H836 WeakPolarHBondContact O-CA 3.29Å; G827-C837 VanDerWaalsContact CA-SG 3.51Å; G827-C837 PolarHBondContact O-N 3.11Å; G827-C837 PolarHBondContact O-SG 2.78Å |
| 828 | Y | 82.8 | Confident | 72.6 | Confident | 93 Ų | 93 | 75.5 Ų | 75.5 | 37% | 0.365 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 152.3 | 179.8 | -64.5 | -93.4 | 0 | 0 | 0 | 114 | P825 C833 R835 H836 | P825-Y828 HydrophobicContact CB-CD2 4.05Å; P825-Y828 PolarHBondContact O-N 2.83Å; Y828-C833 WeakPolarHBondContact CD1-O 3.24Å; Y828-R835 CarbonylContact C-O 3.49Å; Y828-R835 VanDerWaalsContact CA-O 3.26Å; Y828-R835 WeakPolarHBondContact CA-O 3.39Å; Y828-H836 AromaticContact CE1-CD2 3.84Å; Y828-H836 AromaticContact CE1-CE1 3.38Å; Y828-H836 WeakPolarHBondContact CE1-CE1 3.37Å; Y828-H836 AromaticContact CE1-ND1 3.83Å; Y828-H836 AromaticContact CE1-NE2 3.36Å; Y828-H836 WeakPolarHBondContact CE1-NE2 3.07Å; Y828-H836 AromaticContact CE2-CE1 3.98Å; Y828-H836 AromaticContact CZ-CE1 3.23Å; Y828-H836 AromaticContact CZ-ND1 3.9Å; Y828-H836 AromaticContact CZ-NE2 3.59Å; Y828-H836 PolarHBondContact OH-CE1 3.18Å; Y828-H836 PolarHBondContact OH-NE2 3.39Å |
| 829 | W | 85 | Confident | 72.9 | Confident | 57 Ų | 57 | 70.2 Ų | 70.2 | 22% | 0.216 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 169.4 | -179.9 | 68.8 | -80.2 | 0 | 0 | 0 | 114 | C833 S834 R835 H836 P852 S854 G855 | W829-C833 CarbonylContact O-C 3.57Å; W829-S834 PolarHBondContact O-N 3.23Å; W829-R835 HydrophobicContact CD2-CB 3.96Å; W829-R835 HydrophobicContact CG-CB 4.11Å; W829-R835 VanDerWaalsContact CH2-NH1 3.3Å; W829-R835 HydrophobicContact CZ2-CB 4.17Å; W829-R835 PolarHBondContact N-O 3.05Å; W829-R835 PolarHBondContact O-N 2.96Å; W829-R835 VanDerWaalsContact O-N 3.14Å; W829-H836 PolarHBondContact NE1-O 2.83Å; W829-P852 CarbonylContact C-O 3.59Å; W829-P852 VanDerWaalsContact CA-O 3.22Å; W829-P852 WeakPolarHBondContact CA-O 3.32Å; W829-P852 WeakPolarHBondContact CB-O 3.32Å; W829-S854 WeakPolarHBondContact CZ3-O 3.06Å; W829-G855 VanDerWaalsContact CG-CA 3.45Å |
| 830 | G | 75.2 | Confident | 73.3 | Confident | 7 Ų | 7 | 70.4 Ų | 70.4 | 7% | 0.072 | 35% | 0.351 | C | S | . | . | S | Bend | trans | 87.8 | -167 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | G814 Q832 C833 P852 | G814-G830 PolarHBondContact N-O 2.02Å; G830-Q832 PolarHBondContact O-N 2.04Å; G830-C833 PolarHBondContact O-N 3.35Å; G830-P852 PolarHBondContact N-O 3.38Å |
| 831 | K | 73.4 | Confident | 73.3 | Confident | 107 Ų | 107 | 77.2 Ų | 77.2 | 47% | 0.465 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -58.6 | 130.8 | 174.9 | -82.5 | -168 | 164.8 | -165.5 | 0 | 110.3 | E810 P813 C833 S834 | E810-K831 WeakPolarHBondContact OE2-CD 3.18Å; E810-K831 WeakPolarHBondContact OE2-CE 3.19Å; E810-K831 IonicContact OE2-NZ 3.38Å; E810-K831 PolarHBondContact OE2-NZ 3.41Å; P813-K831 HydrophobicContact CG-CG 4.24Å; K831-C833 PolarHBondContact O-N 3.27Å; K831-S834 VanDerWaalsContact O-CB 3.31Å; K831-S834 WeakPolarHBondContact O-CB 3.48Å; K831-S834 PolarHBondContact O-N 2.73Å; K831-S834 PolarHBondContact O-OG 2.9Å |
| 832 | Q | 70.8 | Confident | 72.9 | Confident | 122 Ų | 122 | 75.4 Ų | 75.4 | 57% | 0.57 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | 49.3 | 25.8 | -177 | -54 | -176.5 | -68.2 | 0 | 0 | 113.8 | G830 S834 | G830-Q832 PolarHBondContact O-N 2.04Å; Q832-S834 PolarHBondContact O-N 3.31Å; Q832-S834 VanDerWaalsContact O-N 3.13Å |
| 833 | C | 80.1 | Confident | 72.2 | Confident | 10 Ų | 10 | 79.3 Ų | 79.3 | 7% | 0.068 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | 56.8 | 26.6 | -177.1 | -43.9 | 0 | 0 | 0 | 0 | 114.1 | H816 C824 Y828 W829 G830 K831 R835 | H816-C833 VanDerWaalsContact CD2-SG 3.5Å; C824-C833 WeakPolarHBondContact CA-SG 3.11Å; C824-C833 HydrophobicContact CB-CB 3.76Å; C824-C833 WeakPolarHBondContact CB-SG 3.02Å; C824-C833 WeakPolarHBondContact SG-CA 3.04Å; C824-C833 WeakPolarHBondContact SG-CB 3.34Å; C824-C833 CovalentContact SG-SG 2.03Å; C824-C833 PolarHBondContact SG-SG 2.02Å; Y828-C833 WeakPolarHBondContact CD1-O 3.24Å; W829-C833 CarbonylContact O-C 3.57Å; G830-C833 PolarHBondContact O-N 3.35Å; K831-C833 PolarHBondContact O-N 3.27Å; C833-R835 PolarHBondContact O-N 3.26Å |
| 834 | S | 79.3 | Confident | 71.1 | Confident | 87 Ų | 87 | 82.8 Ų | 82.8 | 61% | 0.608 | 40% | 0.397 | S | S | * | . | trans | -71 | 3 | -169.7 | 54.9 | 0 | 0 | 0 | 0 | 116.3 | W829 K831 Q832 | W829-S834 PolarHBondContact O-N 3.23Å; K831-S834 VanDerWaalsContact O-CB 3.31Å; K831-S834 WeakPolarHBondContact O-CB 3.48Å; K831-S834 PolarHBondContact O-N 2.73Å; K831-S834 PolarHBondContact O-OG 2.9Å; Q832-S834 PolarHBondContact O-N 3.31Å; Q832-S834 VanDerWaalsContact O-N 3.13Å | ||
| 835 | R | 76.2 | Confident | 70.2 | Confident | 145 Ų | 145 | 84.4 Ų | 84.4 | 55% | 0.547 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 137 | -177.3 | -62.8 | -177.1 | 168.9 | -169.4 | -5.2 | 111.9 | Y828 W829 C833 | Y828-R835 CarbonylContact C-O 3.49Å; Y828-R835 VanDerWaalsContact CA-O 3.26Å; Y828-R835 WeakPolarHBondContact CA-O 3.39Å; W829-R835 HydrophobicContact CD2-CB 3.96Å; W829-R835 HydrophobicContact CG-CB 4.11Å; W829-R835 VanDerWaalsContact CH2-NH1 3.3Å; W829-R835 HydrophobicContact CZ2-CB 4.17Å; W829-R835 PolarHBondContact N-O 3.05Å; W829-R835 PolarHBondContact O-N 2.96Å; W829-R835 VanDerWaalsContact O-N 3.14Å; C833-R835 PolarHBondContact O-N 3.26Å |
| 836 | H | 77.2 | Confident | 69.1 | Low | 99 Ų | 99 | 86.2 Ų | 86.2 | 46% | 0.458 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 146.9 | 171.3 | -84.7 | -84.1 | 0 | 0 | 0 | 112.7 | G827 Y828 W829 | G827-H836 CarbonylContact O-C 3.55Å; G827-H836 WeakPolarHBondContact O-CA 3.29Å; Y828-H836 AromaticContact CE1-CD2 3.84Å; Y828-H836 AromaticContact CE1-CE1 3.38Å; Y828-H836 WeakPolarHBondContact CE1-CE1 3.37Å; Y828-H836 AromaticContact CE1-ND1 3.83Å; Y828-H836 AromaticContact CE1-NE2 3.36Å; Y828-H836 WeakPolarHBondContact CE1-NE2 3.07Å; Y828-H836 AromaticContact CE2-CE1 3.98Å; Y828-H836 AromaticContact CZ-CE1 3.23Å; Y828-H836 AromaticContact CZ-ND1 3.9Å; Y828-H836 AromaticContact CZ-NE2 3.59Å; Y828-H836 PolarHBondContact OH-CE1 3.18Å; Y828-H836 PolarHBondContact OH-NE2 3.39Å; W829-H836 PolarHBondContact NE1-O 2.83Å |
| 837 | C | 69.2 | Low | 68.8 | Low | 9 Ų | 9 | 83.6 Ų | 83.6 | 6% | 0.061 | 40% | 0.403 | C | S | . | . | trans | -64.1 | 140.3 | 165.7 | -59.5 | 0 | 0 | 0 | 0 | 110.7 | G827 I847 C850 | G827-C837 VanDerWaalsContact CA-SG 3.51Å; G827-C837 PolarHBondContact O-N 3.11Å; G827-C837 PolarHBondContact O-SG 2.78Å; C837-I847 HydrophobicContact CB-CG2 4.1Å; C837-C850 VanDerWaalsContact CA-SG 3.57Å; C837-C850 HydrophobicContact CB-CB 3.73Å; C837-C850 WeakPolarHBondContact CB-SG 3.39Å; C837-C850 WeakPolarHBondContact SG-CB 3.47Å; C837-C850 PolarHBondContact SG-N 2.74Å; C837-C850 CovalentContact SG-SG 2.03Å; C837-C850 PolarHBondContact SG-SG 2.97Å | ||
| 838 | R | 74.8 | Confident | 68.4 | Low | 219 Ų | 219 | 86.4 Ų | 86.4 | 83% | 0.826 | 41% | 0.412 | S | S | * | . | trans | -105 | 33.2 | 176.8 | -77.6 | -173.8 | 169 | 174.5 | -3.6 | 113.1 | G840 N867 | R838-G840 VanDerWaalsContact C-N 3.3Å; R838-G840 PolarHBondContact O-N 2.99Å; R838-N867 PolarHBondContact O-OD1 3Å | ||
| 839 | C | 69.5 | Low | 67.7 | Low | 1 Ų | 1 | 85.5 Ų | 85.5 | 1% | 0.007 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -90.1 | 15.9 | -166.1 | -53 | 0 | 0 | 0 | 0 | 115 | R848 C857 | C839-R848 HydrophobicContact CB-CB 3.69Å; C839-R848 WeakPolarHBondContact CB-O 3.3Å; C839-R848 WeakPolarHBondContact O-CB 3.04Å; C839-R848 WeakPolarHBondContact O-CD 3.44Å; C839-C857 WeakPolarHBondContact CA-SG 3.23Å; C839-C857 HydrophobicContact CB-CB 3.73Å; C839-C857 WeakPolarHBondContact CB-SG 3.47Å; C839-C857 WeakPolarHBondContact SG-CA 3.24Å; C839-C857 WeakPolarHBondContact SG-CB 3.11Å; C839-C857 CovalentContact SG-SG 2.03Å; C839-C857 PolarHBondContact SG-SG 2.85Å |
| 840 | G | 65.3 | Low | 67.2 | Low | 37 Ų | 37 | 83.5 Ų | 83.5 | 38% | 0.381 | 41% | 0.411 | S | S | . | . | trans | 71 | -171.2 | -169 | 0 | 0 | 0 | 0 | 0 | 113.3 | R838 R848 | R838-G840 VanDerWaalsContact C-N 3.3Å; R838-G840 PolarHBondContact O-N 2.99Å; G840-R848 PolarHBondContact O-N 3.11Å | ||
| 841 | Y | 68.1 | Low | 67.2 | Low | 155 Ų | 155 | 85.6 Ų | 85.6 | 61% | 0.608 | 42% | 0.421 | S | S | * | . | B | Isolated β-bridge | trans | -108.4 | 162.7 | 178.2 | -61.3 | -85.8 | 0 | 0 | 0 | 110.9 | G845 N846 I847 R848 | Y841-G845 VanDerWaalsContact CD1-O 3.31Å; Y841-G845 WeakPolarHBondContact CD1-O 3.19Å; Y841-N846 CarbonylContact C-O 3.58Å; Y841-N846 WeakPolarHBondContact CA-O 3.42Å; Y841-I847 HydrophobicContact CD1-CG1 4.04Å; Y841-I847 HydrophobicContact CE1-CD1 4.5Å; Y841-I847 HydrophobicContact CE1-CG1 3.58Å; Y841-R848 PolarHBondContact O-NE 3.4Å |
| 842 | D | 56.3 | Low | 67 | Low | 52 Ų | 52 | 82.8 Ų | 82.8 | 28% | 0.278 | 41% | 0.414 | S | S | . | . | trans | -86.4 | 175.9 | 164.7 | 75.4 | 1.3 | 0 | 0 | 0 | 111.8 | K844 G845 N846 | D842-K844 PolarHBondContact O-N 2.7Å; D842-K844 VanDerWaalsContact OD1-C 3.24Å; D842-K844 VanDerWaalsContact OD1-CA 3.31Å; D842-K844 WeakPolarHBondContact OD1-CA 3.34Å; D842-K844 WeakPolarHBondContact OD1-CB 3.23Å; D842-K844 PolarHBondContact OD1-N 3.39Å; D842-G845 PolarHBondContact O-N 3.28Å; D842-G845 VanDerWaalsContact O-N 3.08Å; D842-G845 PolarHBondContact OD1-N 2.94Å; D842-N846 PolarHBondContact N-O 3.36Å; D842-N846 WeakPolarHBondContact OD1-CB 3.45Å; D842-N846 PolarHBondContact OD1-N 2.86Å; D842-N846 PolarHBondContact OD1-ND2 3.42Å; D842-N846 VanDerWaalsContact OD1-ND2 3.09Å; D842-N846 PolarHBondContact OD2-ND2 2.82Å | ||
| 843 | E | 52.9 | Low | 67.1 | Low | 171 Ų | 171 | 80.9 Ų | 80.9 | 80% | 0.799 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -2 | 178 | -61.4 | 132.5 | -116.4 | 0 | 0 | 113.7 | K860 | E843-K860 IonicContact OE1-NZ 2.75Å; E843-K860 PolarHBondContact OE1-NZ 2.95Å |
| 844 | K | 51 | Low | 66.8 | Low | 180 Ų | 180 | 82.9 Ų | 82.9 | 78% | 0.783 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119 | 9.7 | 179.3 | -60.8 | -178 | -179.7 | -175.9 | 0 | 112.5 | D842 | D842-K844 PolarHBondContact O-N 2.7Å; D842-K844 VanDerWaalsContact OD1-C 3.24Å; D842-K844 VanDerWaalsContact OD1-CA 3.31Å; D842-K844 WeakPolarHBondContact OD1-CA 3.34Å; D842-K844 WeakPolarHBondContact OD1-CB 3.23Å; D842-K844 PolarHBondContact OD1-N 3.39Å |
| 845 | G | 56.4 | Low | 66.4 | Low | 51 Ų | 51 | 79.5 Ų | 79.5 | 53% | 0.526 | 40% | 0.404 | S | S | . | . | S | Bend | trans | 81.1 | 8.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y841 D842 | Y841-G845 VanDerWaalsContact CD1-O 3.31Å; Y841-G845 WeakPolarHBondContact CD1-O 3.19Å; D842-G845 PolarHBondContact O-N 3.28Å; D842-G845 VanDerWaalsContact O-N 3.08Å; D842-G845 PolarHBondContact OD1-N 2.94Å |
| 846 | N | 49.6 | Very low | 66.3 | Low | 89 Ų | 89 | 76.8 Ų | 76.8 | 48% | 0.476 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -83.3 | 142.3 | 178.2 | -51.5 | -73.7 | 0 | 0 | 0 | 111.1 | Y841 D842 R848 | Y841-N846 CarbonylContact C-O 3.58Å; Y841-N846 WeakPolarHBondContact CA-O 3.42Å; D842-N846 PolarHBondContact N-O 3.36Å; D842-N846 WeakPolarHBondContact OD1-CB 3.45Å; D842-N846 PolarHBondContact OD1-N 2.86Å; D842-N846 PolarHBondContact OD1-ND2 3.42Å; D842-N846 VanDerWaalsContact OD1-ND2 3.09Å; D842-N846 PolarHBondContact OD2-ND2 2.82Å; N846-R848 PolarHBondContact O-N 3.38Å |
| 847 | I | 60 | Low | 66.1 | Low | 61 Ų | 61 | 72.7 Ų | 72.7 | 31% | 0.313 | 39% | 0.386 | S | S | . | . | B | Isolated β-bridge | trans | -63 | 123.9 | 172.8 | -68.9 | 176.2 | 0 | 0 | 0 | 109.4 | C837 Y841 | C837-I847 HydrophobicContact CB-CG2 4.1Å; Y841-I847 HydrophobicContact CD1-CG1 4.04Å; Y841-I847 HydrophobicContact CE1-CD1 4.5Å; Y841-I847 HydrophobicContact CE1-CG1 3.58Å |
| 848 | R | 63.8 | Low | 66 | Low | 62 Ų | 62 | 75.7 Ų | 75.7 | 23% | 0.234 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 137.8 | 175 | -78 | 171.2 | 164.3 | -153 | 1.3 | 110.8 | C839 G840 Y841 N846 C868 | C839-R848 HydrophobicContact CB-CB 3.69Å; C839-R848 WeakPolarHBondContact CB-O 3.3Å; C839-R848 WeakPolarHBondContact O-CB 3.04Å; C839-R848 WeakPolarHBondContact O-CD 3.44Å; G840-R848 PolarHBondContact O-N 3.11Å; Y841-R848 PolarHBondContact O-NE 3.4Å; N846-R848 PolarHBondContact O-N 3.38Å; R848-C868 PolarHBondContact NH1-O 3.15Å; R848-C868 VanDerWaalsContact NH1-O 3.14Å |
| 849 | T | 67.4 | Low | 65.9 | Low | 74 Ų | 74 | 65.6 Ų | 65.6 | 45% | 0.454 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 142.7 | -174.7 | 44.9 | 0 | 0 | 0 | 0 | 113.9 | P826 S858 | P826-T849 HydrophobicContact CB-CG2 4.06Å; T849-S858 PolarHBondContact O-N 3.32Å |
| 850 | C | 75 | Confident | 65.7 | Low | 15 Ų | 15 | 71.1 Ų | 71.1 | 10% | 0.101 | 39% | 0.393 | C | S | . | . | B | Isolated β-bridge | trans | -122.6 | 165.3 | 171.5 | 67.5 | 0 | 0 | 0 | 0 | 111.7 | C837 T856 | C837-C850 VanDerWaalsContact CA-SG 3.57Å; C837-C850 HydrophobicContact CB-CB 3.73Å; C837-C850 WeakPolarHBondContact CB-SG 3.39Å; C837-C850 WeakPolarHBondContact SG-CB 3.47Å; C837-C850 PolarHBondContact SG-N 2.74Å; C837-C850 CovalentContact SG-SG 2.03Å; C837-C850 PolarHBondContact SG-SG 2.97Å; C850-T856 CarbonylContact C-O 3.34Å; C850-T856 WeakPolarHBondContact CA-O 3.03Å; C850-T856 WeakPolarHBondContact CB-O 3.14Å |
| 851 | D | 74.1 | Confident | 66 | Low | 52 Ų | 52 | 70.8 Ų | 70.8 | 28% | 0.278 | 39% | 0.387 | S | S | . | . | trans | -55.5 | 122.2 | 169.1 | 171.1 | -23.5 | 0 | 0 | 0 | 110 | T853 S854 G855 T856 | D851-T853 VanDerWaalsContact C-N 3.28Å; D851-T853 PolarHBondContact O-N 3.04Å; D851-T853 WeakPolarHBondContact OD1-CA 3.03Å; D851-T853 WeakPolarHBondContact OD1-CB 3.4Å; D851-T853 PolarHBondContact OD1-N 2.82Å; D851-T853 PolarHBondContact OD1-OG1 3.4Å; D851-S854 WeakPolarHBondContact CB-OG 3.26Å; D851-S854 PolarHBondContact O-N 3.19Å; D851-S854 PolarHBondContact OD1-N 3.49Å; D851-S854 WeakPolarHBondContact OD2-CB 3.27Å; D851-S854 PolarHBondContact OD2-OG 3.04Å; D851-G855 WeakPolarHBondContact O-CA 3.04Å; D851-G855 PolarHBondContact O-N 3.37Å; D851-T856 WeakPolarHBondContact CB-O 3.46Å; D851-T856 PolarHBondContact N-O 2.72Å | ||
| 852 | P | 70.3 | Confident | 66.3 | Low | 48 Ų | 48 | 63.7 Ų | 63.7 | 31% | 0.312 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -25.8 | -174 | 29.8 | -36.5 | 0 | 0 | 0 | 112.8 | G814 C824 W829 G830 | G814-P852 VanDerWaalsContact CA-O 3.25Å; G814-P852 WeakPolarHBondContact CA-O 3.19Å; G814-P852 PolarHBondContact N-O 3.18Å; C824-P852 HydrophobicContact CB-CB 3.74Å; W829-P852 CarbonylContact C-O 3.59Å; W829-P852 VanDerWaalsContact CA-O 3.22Å; W829-P852 WeakPolarHBondContact CA-O 3.32Å; W829-P852 WeakPolarHBondContact CB-O 3.32Å; G830-P852 PolarHBondContact N-O 3.38Å |
| 853 | T | 72.7 | Confident | 67.5 | Low | 81 Ų | 81 | 66.1 Ų | 66.1 | 50% | 0.497 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -48 | 176 | 14.6 | 0 | 0 | 0 | 0 | 112.2 | P813 D851 | P813-T853 HydrophobicContact CB-CG2 4.41Å; P813-T853 VanDerWaalsContact O-CG2 3.22Å; P813-T853 WeakPolarHBondContact O-CG2 3.21Å; D851-T853 VanDerWaalsContact C-N 3.28Å; D851-T853 PolarHBondContact O-N 3.04Å; D851-T853 WeakPolarHBondContact OD1-CA 3.03Å; D851-T853 WeakPolarHBondContact OD1-CB 3.4Å; D851-T853 PolarHBondContact OD1-N 2.82Å; D851-T853 PolarHBondContact OD1-OG1 3.4Å |
| 854 | S | 74.1 | Confident | 68.7 | Low | 53 Ų | 53 | 61.3 Ų | 61.3 | 37% | 0.371 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | -15.6 | -167 | 78.2 | 0 | 0 | 0 | 0 | 115.6 | W829 D851 T856 | W829-S854 WeakPolarHBondContact CZ3-O 3.06Å; D851-S854 WeakPolarHBondContact CB-OG 3.26Å; D851-S854 PolarHBondContact O-N 3.19Å; D851-S854 PolarHBondContact OD1-N 3.49Å; D851-S854 WeakPolarHBondContact OD2-CB 3.27Å; D851-S854 PolarHBondContact OD2-OG 3.04Å; S854-T856 PolarHBondContact O-N 2.03Å; S854-T856 WeakPolarHBondContact OG-CB 3.43Å; S854-T856 PolarHBondContact OG-N 3.1Å; S854-T856 PolarHBondContact OG-OG1 2.04Å |
| 855 | G | 70.6 | Confident | 69.6 | Low | 16 Ų | 16 | 54 Ų | 54 | 17% | 0.165 | 32% | 0.316 | C | S | . | . | trans | 75.8 | 5.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | W829 D851 | W829-G855 VanDerWaalsContact CG-CA 3.45Å; D851-G855 WeakPolarHBondContact O-CA 3.04Å; D851-G855 PolarHBondContact O-N 3.37Å | ||
| 856 | T | 73.8 | Confident | 70.1 | Confident | 88 Ų | 88 | 60.1 Ų | 60.1 | 54% | 0.54 | 33% | 0.328 | S | S | . | . | trans | -73 | 127.2 | -177.8 | -52.6 | 0 | 0 | 0 | 0 | 111 | C850 D851 S854 | C850-T856 CarbonylContact C-O 3.34Å; C850-T856 WeakPolarHBondContact CA-O 3.03Å; C850-T856 WeakPolarHBondContact CB-O 3.14Å; D851-T856 WeakPolarHBondContact CB-O 3.46Å; D851-T856 PolarHBondContact N-O 2.72Å; S854-T856 PolarHBondContact O-N 2.03Å; S854-T856 WeakPolarHBondContact OG-CB 3.43Å; S854-T856 PolarHBondContact OG-N 3.1Å; S854-T856 PolarHBondContact OG-OG1 2.04Å | ||
| 857 | C | 72.8 | Confident | 71 | Confident | 13 Ų | 13 | 59.2 Ų | 59.2 | 9% | 0.088 | 32% | 0.324 | C | S | . | . | B | Isolated β-bridge | trans | -65.2 | 137.7 | -178.7 | -61 | 0 | 0 | 0 | 0 | 112.5 | C839 K866 C868 | C839-C857 WeakPolarHBondContact CA-SG 3.23Å; C839-C857 HydrophobicContact CB-CB 3.73Å; C839-C857 WeakPolarHBondContact CB-SG 3.47Å; C839-C857 WeakPolarHBondContact SG-CA 3.24Å; C839-C857 WeakPolarHBondContact SG-CB 3.11Å; C839-C857 CovalentContact SG-SG 2.03Å; C839-C857 PolarHBondContact SG-SG 2.85Å; C857-K866 PolarHBondContact SG-O 3.33Å; C857-K866 VanDerWaalsContact SG-O 3.42Å; C857-C868 VanDerWaalsContact CB-SG 3.53Å |
| 858 | S | 68.4 | Low | 71.5 | Confident | 71 Ų | 71 | 56.6 Ų | 56.6 | 50% | 0.497 | 31% | 0.311 | S | S | . | . | trans | -97.1 | 100.3 | 176.5 | -70.1 | 0 | 0 | 0 | 0 | 110.2 | T849 | T849-S858 PolarHBondContact O-N 3.32Š| ||
| 859 | C | 71.9 | Confident | 72 | Confident | 7 Ų | 7 | 58 Ų | 58 | 5% | 0.047 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -79.9 | 134.5 | -172.2 | -53.6 | 0 | 0 | 0 | 0 | 112.7 | Y863 C868 P879 N880 | C859-Y863 WeakPolarHBondContact CB-O 3.41Å; C859-C868 WeakPolarHBondContact CA-SG 3.43Å; C859-C868 HydrophobicContact CB-CB 3.65Å; C859-C868 WeakPolarHBondContact CB-SG 2.95Å; C859-C868 PolarHBondContact N-SG 2.92Å; C859-C868 VanDerWaalsContact N-SG 3.43Å; C859-C868 WeakPolarHBondContact SG-CA 3.36Å; C859-C868 WeakPolarHBondContact SG-CB 2.94Å; C859-C868 CovalentContact SG-SG 2.04Å; C859-C868 PolarHBondContact SG-SG 2.81Å; C859-P879 WeakPolarHBondContact O-CA 3.28Å; C859-N880 WeakPolarHBondContact CB-OD1 3.1Å; C859-N880 PolarHBondContact N-OD1 2.95Å; C859-N880 PolarHBondContact O-N 2.83Å |
| 860 | K | 65.1 | Low | 72.5 | Confident | 118 Ų | 118 | 58.5 Ų | 58.5 | 51% | 0.513 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -51.2 | 151.1 | 167.5 | -69.7 | -173.7 | -179.8 | -179.5 | 0 | 109.3 | E843 G862 Y863 | E843-K860 IonicContact OE1-NZ 2.75Å; E843-K860 PolarHBondContact OE1-NZ 2.95Å; K860-G862 PolarHBondContact O-N 3.01Å; K860-Y863 PolarHBondContact O-N 2.79Å; K860-Y863 VanDerWaalsContact O-N 3.12Å |
| 861 | A | 71.5 | Confident | 72.6 | Confident | 30 Ų | 30 | 62 Ų | 62 | 25% | 0.248 | 34% | 0.343 | C | S | . | . | B | Isolated β-bridge | trans | -55.3 | 139 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | G878 V897 | A861-G878 WeakPolarHBondContact CA-O 3.18Å; A861-V897 HydrophobicContact CB-CB 4.5Å; A861-V897 HydrophobicContact CB-CG1 3.93Å; A861-V897 WeakPolarHBondContact CB-O 3.37Å |
| 862 | G | 74.6 | Confident | 72.9 | Confident | 5 Ų | 5 | 60.4 Ų | 60.4 | 5% | 0.052 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 98.6 | -16.9 | -168.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | K860 C872 P896 | K860-G862 PolarHBondContact O-N 3.01Å; G862-C872 PolarHBondContact O-N 2.81Å; G862-C872 PolarHBondContact O-SG 2.91Å; G862-C872 VanDerWaalsContact O-SG 3.41Å; G862-P896 VanDerWaalsContact CA-O 3.31Å; G862-P896 WeakPolarHBondContact CA-O 3.13Å; G862-P896 PolarHBondContact N-O 2.75Å |
| 863 | Y | 80.9 | Confident | 73.3 | Confident | 104 Ų | 104 | 63.8 Ų | 63.8 | 41% | 0.408 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 152 | -170.8 | -64.1 | -90.8 | 0 | 0 | 0 | 114.8 | C859 K860 E870 N880 C881 | C859-Y863 WeakPolarHBondContact CB-O 3.41Å; K860-Y863 PolarHBondContact O-N 2.79Å; K860-Y863 VanDerWaalsContact O-N 3.12Å; Y863-E870 CarbonylContact C-O 3.32Å; Y863-E870 WeakPolarHBondContact CA-O 3.5Å; Y863-N880 VanDerWaalsContact O-CA 3.29Å; Y863-N880 WeakPolarHBondContact O-CA 2.98Å; Y863-N880 PolarHBondContact O-N 3.1Å; Y863-C881 VanDerWaalsContact C-SG 3.52Å; Y863-C881 PolarHBondContact O-SG 3.07Å |
| 864 | R | 77.8 | Confident | 73.3 | Confident | 70 Ų | 70 | 67.4 Ų | 67.4 | 26% | 0.264 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | -163.5 | 172 | 70.6 | -174.1 | -152.9 | -149.6 | 27.5 | 108.9 | C868 D869 E870 P871 E873 | R864-C868 CarbonylContact O-C 3.48Å; R864-C868 VanDerWaalsContact O-CA 3.27Å; R864-C868 WeakPolarHBondContact O-CA 3.5Å; R864-D869 PolarHBondContact O-N 2.84Å; R864-D869 VanDerWaalsContact O-N 3.13Å; R864-E870 HydrophobicContact CG-CB 3.5Å; R864-E870 VanDerWaalsContact CG-CB 3.5Å; R864-E870 IonicContact CZ-OE2 3Å; R864-E870 PolarHBondContact N-O 3.21Å; R864-E870 IonicContact NE-OE2 2.72Å; R864-E870 PolarHBondContact NE-OE2 2.93Å; R864-E870 IonicContact NH2-OE2 3.13Å; R864-E870 PolarHBondContact NH2-OE2 3.37Å; R864-E870 PolarHBondContact O-N 2.63Å; R864-P871 WeakPolarHBondContact CD-O 3.45Å; R864-P871 PolarHBondContact NH1-O 3.22Å; R864-P871 VanDerWaalsContact NH1-O 3.13Å; R864-E873 IonicContact CZ-OE1 2.72Å; R864-E873 IonicContact NH1-OE1 3.8Å; R864-E873 PolarHBondContact NH1-OE1 3.37Å; R864-E873 IonicContact NH2-OE1 3.99Å; R864-E873 PolarHBondContact NH2-OE1 3.48Å |
| 865 | G | 71.6 | Confident | 73.3 | Confident | 25 Ų | 25 | 66 Ų | 66 | 26% | 0.258 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | 166.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N867 C868 E870 | G865-N867 VanDerWaalsContact C-N 3.25Å; G865-N867 PolarHBondContact O-N 3.34Å; G865-C868 PolarHBondContact O-N 3.27Å; G865-E870 VanDerWaalsContact CA-OE1 3.32Å; G865-E870 WeakPolarHBondContact CA-OE1 3.25Å |
| 866 | K | 66.3 | Low | 73.9 | Confident | 180 Ų | 180 | 66.7 Ų | 66.7 | 78% | 0.783 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -22.4 | -164 | -151.1 | 171.3 | -170.6 | 171.7 | 0 | 113.7 | C857 D869 | C857-K866 PolarHBondContact SG-O 3.33Å; C857-K866 VanDerWaalsContact SG-O 3.42Å; K866-D869 PolarHBondContact N-OD1 3.31Å |
| 867 | N | 69.2 | Low | 74.6 | Confident | 71 Ų | 71 | 65 Ų | 65 | 38% | 0.38 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | 16.9 | 176.6 | -34 | -71.1 | 0 | 0 | 0 | 111.5 | R838 G865 D869 | R838-N867 PolarHBondContact O-OD1 3Å; G865-N867 VanDerWaalsContact C-N 3.25Å; G865-N867 PolarHBondContact O-N 3.34Å; N867-D869 WeakPolarHBondContact CA-OD1 3.43Å; N867-D869 HydrophobicContact CB-CB 4.45Å; N867-D869 PolarHBondContact N-OD1 2.92Å; N867-D869 PolarHBondContact ND2-OD2 2.99Å |
| 868 | C | 70.3 | Confident | 74.7 | Confident | 6 Ų | 6 | 64.4 Ų | 64.4 | 4% | 0.041 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 49 | -172.9 | -57.6 | 0 | 0 | 0 | 0 | 113.5 | R848 C857 C859 R864 G865 | R848-C868 PolarHBondContact NH1-O 3.15Å; R848-C868 VanDerWaalsContact NH1-O 3.14Å; C857-C868 VanDerWaalsContact CB-SG 3.53Å; C859-C868 WeakPolarHBondContact CA-SG 3.43Å; C859-C868 HydrophobicContact CB-CB 3.65Å; C859-C868 WeakPolarHBondContact CB-SG 2.95Å; C859-C868 PolarHBondContact N-SG 2.92Å; C859-C868 VanDerWaalsContact N-SG 3.43Å; C859-C868 WeakPolarHBondContact SG-CA 3.36Å; C859-C868 WeakPolarHBondContact SG-CB 2.94Å; C859-C868 CovalentContact SG-SG 2.04Å; C859-C868 PolarHBondContact SG-SG 2.81Å; R864-C868 CarbonylContact O-C 3.48Å; R864-C868 VanDerWaalsContact O-CA 3.27Å; R864-C868 WeakPolarHBondContact O-CA 3.5Å; G865-C868 PolarHBondContact O-N 3.27Å |
| 869 | D | 74 | Confident | 75 | Confident | 90 Ų | 90 | 64.4 Ų | 64.4 | 48% | 0.481 | 34% | 0.335 | S | S | . | . | trans | -125 | -11.6 | -166.7 | 47.1 | -20.3 | 0 | 0 | 0 | 113.8 | R864 K866 N867 | R864-D869 PolarHBondContact O-N 2.84Å; R864-D869 VanDerWaalsContact O-N 3.13Å; K866-D869 PolarHBondContact N-OD1 3.31Å; N867-D869 WeakPolarHBondContact CA-OD1 3.43Å; N867-D869 HydrophobicContact CB-CB 4.45Å; N867-D869 PolarHBondContact N-OD1 2.92Å; N867-D869 PolarHBondContact ND2-OD2 2.99Å | ||
| 870 | E | 77.2 | Confident | 75.2 | Confident | 85 Ų | 85 | 66.2 Ų | 66.2 | 40% | 0.397 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 139.9 | 170.7 | -72 | 169 | -133.5 | 0 | 0 | 110.4 | Y863 R864 G865 | Y863-E870 CarbonylContact C-O 3.32Å; Y863-E870 WeakPolarHBondContact CA-O 3.5Å; R864-E870 HydrophobicContact CG-CB 3.5Å; R864-E870 VanDerWaalsContact CG-CB 3.5Å; R864-E870 IonicContact CZ-OE2 3Å; R864-E870 PolarHBondContact N-O 3.21Å; R864-E870 IonicContact NE-OE2 2.72Å; R864-E870 PolarHBondContact NE-OE2 2.93Å; R864-E870 IonicContact NH2-OE2 3.13Å; R864-E870 PolarHBondContact NH2-OE2 3.37Å; R864-E870 PolarHBondContact O-N 2.63Å; G865-E870 VanDerWaalsContact CA-OE1 3.32Å; G865-E870 WeakPolarHBondContact CA-OE1 3.25Å |
| 871 | P | 77.8 | Confident | 75.9 | Confident | 90 Ų | 90 | 61.3 Ų | 61.3 | 58% | 0.584 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 161.1 | 171.4 | 31.3 | -34.5 | 0 | 0 | 0 | 112.6 | R864 | R864-P871 WeakPolarHBondContact CD-O 3.45Å; R864-P871 PolarHBondContact NH1-O 3.22Å; R864-P871 VanDerWaalsContact NH1-O 3.13Å |
| 872 | C | 79.9 | Confident | 76.5 | Confident | 18 Ų | 18 | 69.4 Ų | 69.4 | 12% | 0.122 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 147.4 | 172.6 | -64.3 | 0 | 0 | 0 | 0 | 113.1 | G862 T876 C881 P896 | G862-C872 PolarHBondContact O-N 2.81Å; G862-C872 PolarHBondContact O-SG 2.91Å; G862-C872 VanDerWaalsContact O-SG 3.41Å; C872-T876 WeakPolarHBondContact CB-O 3.47Å; C872-C881 WeakPolarHBondContact CA-SG 3.36Å; C872-C881 HydrophobicContact CB-CB 3.76Å; C872-C881 WeakPolarHBondContact CB-SG 3.06Å; C872-C881 VanDerWaalsContact SG-CA 3.6Å; C872-C881 WeakPolarHBondContact SG-CB 3.29Å; C872-C881 CovalentContact SG-SG 2.03Å; C872-C881 PolarHBondContact SG-SG 3.08Å; C872-P896 HydrophobicContact CB-CB 3.71Å |
| 873 | E | 77.7 | Confident | 76.6 | Confident | 118 Ų | 118 | 73 Ų | 73 | 55% | 0.551 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -77.8 | 146.3 | 177.9 | -135.2 | 148.1 | -105.9 | 0 | 0 | 110.2 | R864 G875 T876 | R864-E873 IonicContact CZ-OE1 2.72Å; R864-E873 IonicContact NH1-OE1 3.8Å; R864-E873 PolarHBondContact NH1-OE1 3.37Å; R864-E873 IonicContact NH2-OE1 3.99Å; R864-E873 PolarHBondContact NH2-OE1 3.48Å; E873-G875 PolarHBondContact O-N 3.46Å; E873-T876 PolarHBondContact N-OG1 3.11Å; E873-T876 VanDerWaalsContact N-OG1 3.07Å; E873-T876 PolarHBondContact O-N 3.34Å; E873-T876 PolarHBondContact O-OG1 3.49Å |
| 874 | I | 72.7 | Confident | 76.5 | Confident | 158 Ų | 158 | 76.1 Ų | 76.1 | 81% | 0.81 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 117.3 | -178 | -59.5 | 170.6 | 0 | 0 | 0 | 109.1 | ||
| 875 | G | 74.8 | Confident | 76.1 | Confident | 24 Ų | 24 | 74 Ų | 74 | 25% | 0.247 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 104.6 | 0.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | E873 K884 C885 | E873-G875 PolarHBondContact O-N 3.46Å; G875-K884 WeakPolarHBondContact O-CA 3.32Å; G875-C885 WeakPolarHBondContact CA-SG 3.03Å; G875-C885 PolarHBondContact O-N 3.21Å; G875-C885 PolarHBondContact O-SG 3.12Å |
| 876 | T | 84.2 | Confident | 76.1 | Confident | 29 Ų | 29 | 78.7 Ų | 78.7 | 18% | 0.178 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 147.8 | 177.1 | 62.1 | 0 | 0 | 0 | 0 | 113.5 | C872 E873 C881 L883 | C872-T876 WeakPolarHBondContact CB-O 3.47Å; E873-T876 PolarHBondContact N-OG1 3.11Å; E873-T876 VanDerWaalsContact N-OG1 3.07Å; E873-T876 PolarHBondContact O-N 3.34Å; E873-T876 PolarHBondContact O-OG1 3.49Å; T876-C881 WeakPolarHBondContact CB-O 3.37Å; T876-L883 CarbonylContact C-O 3.52Å; T876-L883 VanDerWaalsContact CA-O 3.23Å; T876-L883 WeakPolarHBondContact CA-O 3.1Å |
| 877 | Y | 87.8 | Confident | 76.1 | Confident | 52 Ų | 52 | 70.6 Ų | 70.6 | 20% | 0.204 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 175.6 | -179.5 | 75.5 | -86.4 | 0 | 0 | 0 | 113 | C881 R882 L883 C894 D895 P896 G899 | Y877-C881 CarbonylContact O-C 3.44Å; Y877-C881 WeakPolarHBondContact O-CA 3.02Å; Y877-R882 PolarHBondContact O-N 2.74Å; Y877-L883 HydrophobicContact CD1-CB 3.73Å; Y877-L883 WeakPolarHBondContact CD1-O 3.39Å; Y877-L883 HydrophobicContact CD2-CB 3.93Å; Y877-L883 HydrophobicContact CD2-CD1 3.89Å; Y877-L883 HydrophobicContact CE1-CB 3.49Å; Y877-L883 VanDerWaalsContact CE1-CB 3.49Å; Y877-L883 HydrophobicContact CE2-CB 3.69Å; Y877-L883 HydrophobicContact CE2-CD1 3.33Å; Y877-L883 HydrophobicContact CE2-CG 4.14Å; Y877-L883 HydrophobicContact CG-CB 3.96Å; Y877-L883 VanDerWaalsContact CZ-CB 3.46Å; Y877-L883 PolarHBondContact N-O 3.11Å; Y877-L883 WeakPolarHBondContact O-CB 3.25Å; Y877-L883 PolarHBondContact O-N 3.09Å; Y877-C894 VanDerWaalsContact CD1-SG 3.52Å; Y877-D895 WeakPolarHBondContact CB-O 3.35Å; Y877-P896 CarbonylContact C-O 3.54Å; Y877-P896 VanDerWaalsContact CA-O 3.26Å; Y877-P896 WeakPolarHBondContact CA-O 3.07Å; Y877-P896 WeakPolarHBondContact CB-O 3.02Å; Y877-G899 VanDerWaalsContact CD2-N 3.33Å |
| 878 | G | 75 | Confident | 75.6 | Confident | 2 Ų | 2 | 69.2 Ų | 69.2 | 2% | 0.021 | 36% | 0.362 | C | S | . | . | S | Bend | trans | 81.1 | -176.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.7 | A861 N880 C881 P896 | A861-G878 WeakPolarHBondContact CA-O 3.18Å; G878-N880 PolarHBondContact O-N 3.32Å; G878-C881 WeakPolarHBondContact O-CA 3.42Å; G878-C881 PolarHBondContact O-N 3.44Å; G878-P896 PolarHBondContact N-O 2.83Å |
| 879 | P | 74.3 | Confident | 74.9 | Confident | 70 Ų | 70 | 77.5 Ų | 77.5 | 46% | 0.455 | 40% | 0.404 | S | S | . | . | B | Isolated β-bridge | trans | -64.4 | 126.5 | -175 | 25.5 | -33.8 | 0 | 0 | 0 | 111.6 | C859 C881 | C859-P879 WeakPolarHBondContact O-CA 3.28Å; P879-C881 PolarHBondContact O-N 3.35Å |
| 880 | N | 76.1 | Confident | 73.7 | Confident | 45 Ų | 45 | 75 Ų | 75 | 24% | 0.241 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 24.5 | -170.2 | -41 | -84 | 0 | 0 | 0 | 113.9 | C859 Y863 G878 R882 | C859-N880 WeakPolarHBondContact CB-OD1 3.1Å; C859-N880 PolarHBondContact N-OD1 2.95Å; C859-N880 PolarHBondContact O-N 2.83Å; Y863-N880 VanDerWaalsContact O-CA 3.29Å; Y863-N880 WeakPolarHBondContact O-CA 2.98Å; Y863-N880 PolarHBondContact O-N 3.1Å; G878-N880 PolarHBondContact O-N 3.32Å; N880-R882 HydrophobicContact CB-CG 4.17Å; N880-R882 PolarHBondContact O-N 2.04Å; N880-R882 VanDerWaalsContact O-N 3.16Å |
| 881 | C | 81.1 | Confident | 72.5 | Confident | 15 Ų | 15 | 78.2 Ų | 78.2 | 10% | 0.101 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 31.9 | 177.7 | -47.1 | 0 | 0 | 0 | 0 | 114.5 | Y863 C872 T876 Y877 G878 P879 | Y863-C881 VanDerWaalsContact C-SG 3.52Å; Y863-C881 PolarHBondContact O-SG 3.07Å; C872-C881 WeakPolarHBondContact CA-SG 3.36Å; C872-C881 HydrophobicContact CB-CB 3.76Å; C872-C881 WeakPolarHBondContact CB-SG 3.06Å; C872-C881 VanDerWaalsContact SG-CA 3.6Å; C872-C881 WeakPolarHBondContact SG-CB 3.29Å; C872-C881 CovalentContact SG-SG 2.03Å; C872-C881 PolarHBondContact SG-SG 3.08Å; T876-C881 WeakPolarHBondContact CB-O 3.37Å; Y877-C881 CarbonylContact O-C 3.44Å; Y877-C881 WeakPolarHBondContact O-CA 3.02Å; G878-C881 WeakPolarHBondContact O-CA 3.42Å; G878-C881 PolarHBondContact O-N 3.44Å; P879-C881 PolarHBondContact O-N 3.35Å |
| 882 | R | 83.4 | Confident | 71.6 | Confident | 201 Ų | 201 | 78.3 Ų | 78.3 | 76% | 0.758 | 41% | 0.408 | S | S | * | . | trans | -77.1 | -18 | -172.9 | -69.1 | 179.3 | 178.7 | -173.1 | 1.6 | 114.6 | Y877 N880 | Y877-R882 PolarHBondContact O-N 2.74Å; N880-R882 HydrophobicContact CB-CG 4.17Å; N880-R882 PolarHBondContact O-N 2.04Å; N880-R882 VanDerWaalsContact O-N 3.16Å | ||
| 883 | L | 76.9 | Confident | 70.9 | Confident | 81 Ų | 81 | 77.9 Ų | 77.9 | 42% | 0.424 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 138.6 | -175.2 | -55.6 | 174 | 0 | 0 | 0 | 109.8 | T876 Y877 | T876-L883 CarbonylContact C-O 3.52Å; T876-L883 VanDerWaalsContact CA-O 3.23Å; T876-L883 WeakPolarHBondContact CA-O 3.1Å; Y877-L883 HydrophobicContact CD1-CB 3.73Å; Y877-L883 WeakPolarHBondContact CD1-O 3.39Å; Y877-L883 HydrophobicContact CD2-CB 3.93Å; Y877-L883 HydrophobicContact CD2-CD1 3.89Å; Y877-L883 HydrophobicContact CE1-CB 3.49Å; Y877-L883 VanDerWaalsContact CE1-CB 3.49Å; Y877-L883 HydrophobicContact CE2-CB 3.69Å; Y877-L883 HydrophobicContact CE2-CD1 3.33Å; Y877-L883 HydrophobicContact CE2-CG 4.14Å; Y877-L883 HydrophobicContact CG-CB 3.96Å; Y877-L883 VanDerWaalsContact CZ-CB 3.46Å; Y877-L883 PolarHBondContact N-O 3.11Å; Y877-L883 WeakPolarHBondContact O-CB 3.25Å; Y877-L883 PolarHBondContact O-N 3.09Å |
| 884 | K | 77.4 | Confident | 70.9 | Confident | 169 Ų | 169 | 73.1 Ų | 73.1 | 74% | 0.735 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 137.6 | 177.3 | -79.2 | -174.7 | 173.3 | -175.8 | 0 | 111.5 | G875 | G875-K884 WeakPolarHBondContact O-CA 3.32Å |
| 885 | C | 71.3 | Confident | 71.1 | Confident | 26 Ų | 26 | 68.7 Ų | 68.7 | 18% | 0.176 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 143.8 | 174.8 | -56.5 | 0 | 0 | 0 | 0 | 111.8 | G875 C894 | G875-C885 WeakPolarHBondContact CA-SG 3.03Å; G875-C885 PolarHBondContact O-N 3.21Å; G875-C885 PolarHBondContact O-SG 3.12Å; C885-C894 VanDerWaalsContact CA-SG 3.57Å; C885-C894 HydrophobicContact CB-CB 3.75Å; C885-C894 WeakPolarHBondContact CB-SG 3.44Å; C885-C894 WeakPolarHBondContact SG-CB 3.33Å; C885-C894 PolarHBondContact SG-N 3.49Å; C885-C894 CovalentContact SG-SG 2.03Å; C885-C894 PolarHBondContact SG-SG 2.95Å |
| 886 | Q | 70.4 | Confident | 71.2 | Confident | 122 Ų | 122 | 69.9 Ų | 69.9 | 57% | 0.57 | 37% | 0.368 | S | S | * | . | trans | -116.7 | 44.2 | 177.7 | -65.3 | -168.6 | -2.7 | 0 | 0 | 112.4 | G888 K911 | Q886-G888 VanDerWaalsContact C-N 3.27Å; Q886-G888 PolarHBondContact O-N 2.76Å; Q886-G888 VanDerWaalsContact O-N 3.17Å; Q886-K911 HydrophobicContact CB-CG 4.32Å | ||
| 887 | C | 67.6 | Low | 70.9 | Confident | 10 Ų | 10 | 72.2 Ų | 72.2 | 7% | 0.068 | 38% | 0.382 | C | S | . | . | trans | -79.6 | 8 | -167.3 | -49.8 | 0 | 0 | 0 | 0 | 116.5 | G893 C901 C912 | C887-G893 PolarHBondContact SG-O 3.27Å; C887-C901 WeakPolarHBondContact CA-SG 3.27Å; C887-C901 HydrophobicContact CB-CB 3.64Å; C887-C901 WeakPolarHBondContact CB-SG 3.3Å; C887-C901 WeakPolarHBondContact SG-CB 2.98Å; C887-C901 CovalentContact SG-SG 2.03Å; C887-C901 PolarHBondContact SG-SG 2.94Å; C887-C912 WeakPolarHBondContact O-CB 3.44Å | ||
| 888 | G | 58.6 | Low | 70.3 | Confident | 42 Ų | 42 | 72.9 Ų | 72.9 | 43% | 0.433 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | -153.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q886 | Q886-G888 VanDerWaalsContact C-N 3.27Å; Q886-G888 PolarHBondContact O-N 2.76Å; Q886-G888 VanDerWaalsContact O-N 3.17Å |
| 889 | I | 55.7 | Low | 70.2 | Confident | 180 Ų | 180 | 72.9 Ų | 72.9 | 92% | 0.923 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -25.9 | -167.7 | -55.5 | 173.1 | 0 | 0 | 0 | 112 | N891 | I889-N891 PolarHBondContact O-N 3.22Š|
| 890 | S | 48.7 | Very low | 70.1 | Confident | 39 Ų | 39 | 72.1 Ų | 72.1 | 27% | 0.273 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -78.4 | 94.6 | 171.7 | 48.2 | 0 | 0 | 0 | 0 | 110.6 | I892 | S890-I892 PolarHBondContact O-N 3.32Š|
| 891 | N | 51.7 | Low | 69.9 | Low | 152 Ų | 152 | 70 Ų | 70 | 81% | 0.813 | 37% | 0.372 | S | S | * | . | trans | -77.9 | 47.4 | -168.2 | -153.4 | 21.1 | 0 | 0 | 0 | 114.3 | I889 G893 | I889-N891 PolarHBondContact O-N 3.22Å; N891-G893 VanDerWaalsContact C-N 3.35Å | ||
| 892 | I | 58.5 | Low | 69 | Low | 91 Ų | 91 | 75.5 Ų | 75.5 | 47% | 0.467 | 40% | 0.396 | S | S | . | . | trans | -77.3 | -21.2 | -173.7 | -65.2 | 167.7 | 0 | 0 | 0 | 112.1 | S890 Q902 | S890-I892 PolarHBondContact O-N 3.32Å; I892-Q902 HydrophobicContact CG2-CB 4.05Å | ||
| 893 | G | 65 | Low | 68 | Low | 9 Ų | 9 | 66.7 Ų | 66.7 | 9% | 0.093 | 37% | 0.365 | C | S | . | . | trans | 91.8 | -178.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | C887 N891 | C887-G893 PolarHBondContact SG-O 3.27Å; N891-G893 VanDerWaalsContact C-N 3.35Å | ||
| 894 | C | 77.2 | Confident | 66.8 | Low | 18 Ų | 18 | 66.2 Ų | 66.2 | 12% | 0.122 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -133.6 | 158.2 | 177.3 | 68.9 | 0 | 0 | 0 | 0 | 110.7 | Y877 C885 L900 | Y877-C894 VanDerWaalsContact CD1-SG 3.52Å; C885-C894 VanDerWaalsContact CA-SG 3.57Å; C885-C894 HydrophobicContact CB-CB 3.75Å; C885-C894 WeakPolarHBondContact CB-SG 3.44Å; C885-C894 WeakPolarHBondContact SG-CB 3.33Å; C885-C894 PolarHBondContact SG-N 3.49Å; C885-C894 CovalentContact SG-SG 2.03Å; C885-C894 PolarHBondContact SG-SG 2.95Å; C894-L900 CarbonylContact C-O 3.56Å; C894-L900 VanDerWaalsContact CA-O 3.24Å; C894-L900 WeakPolarHBondContact CA-O 3.37Å; C894-L900 VanDerWaalsContact CB-O 3.31Å; C894-L900 WeakPolarHBondContact CB-O 3.01Å |
| 895 | D | 78.4 | Confident | 65.6 | Low | 65 Ų | 65 | 65.7 Ų | 65.7 | 35% | 0.348 | 37% | 0.372 | S | S | . | . | trans | -54.4 | 128.4 | 175.7 | 172.7 | -90.8 | 0 | 0 | 0 | 110.6 | Y877 V897 T898 G899 L900 | Y877-D895 WeakPolarHBondContact CB-O 3.35Å; D895-V897 PolarHBondContact O-N 3.47Å; D895-V897 WeakPolarHBondContact OD1-CA 3.11Å; D895-V897 WeakPolarHBondContact OD1-CB 3.45Å; D895-V897 PolarHBondContact OD1-N 2.83Å; D895-T898 WeakPolarHBondContact CB-OG1 3.12Å; D895-T898 VanDerWaalsContact CG-OG1 3.29Å; D895-T898 WeakPolarHBondContact OD1-CB 3.41Å; D895-T898 PolarHBondContact OD1-N 3.5Å; D895-T898 PolarHBondContact OD1-OG1 2.86Å; D895-G899 WeakPolarHBondContact O-CA 3.42Å; D895-G899 PolarHBondContact O-N 2.91Å; D895-L900 PolarHBondContact N-O 3.46Å | ||
| 896 | P | 76.2 | Confident | 64.4 | Low | 49 Ų | 49 | 67.7 Ų | 67.7 | 32% | 0.318 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -12.5 | -168.5 | 32.7 | -38.6 | 0 | 0 | 0 | 113.2 | G862 C872 Y877 G878 | G862-P896 VanDerWaalsContact CA-O 3.31Å; G862-P896 WeakPolarHBondContact CA-O 3.13Å; G862-P896 PolarHBondContact N-O 2.75Å; C872-P896 HydrophobicContact CB-CB 3.71Å; Y877-P896 CarbonylContact C-O 3.54Å; Y877-P896 VanDerWaalsContact CA-O 3.26Å; Y877-P896 WeakPolarHBondContact CA-O 3.07Å; Y877-P896 WeakPolarHBondContact CB-O 3.02Å; G878-P896 PolarHBondContact N-O 2.83Å |
| 897 | V | 77.4 | Confident | 63.3 | Low | 79 Ų | 79 | 67 Ų | 67 | 48% | 0.479 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -45.4 | 177 | -173.9 | 0 | 0 | 0 | 0 | 110.8 | A861 D895 | A861-V897 HydrophobicContact CB-CB 4.5Å; A861-V897 HydrophobicContact CB-CG1 3.93Å; A861-V897 WeakPolarHBondContact CB-O 3.37Å; D895-V897 PolarHBondContact O-N 3.47Å; D895-V897 WeakPolarHBondContact OD1-CA 3.11Å; D895-V897 WeakPolarHBondContact OD1-CB 3.45Å; D895-V897 PolarHBondContact OD1-N 2.83Å |
| 898 | T | 75.2 | Confident | 62.5 | Low | 66 Ų | 66 | 70.9 Ų | 70.9 | 41% | 0.405 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | -20.9 | -165 | 61.8 | 0 | 0 | 0 | 0 | 114.7 | D895 L900 H910 | D895-T898 WeakPolarHBondContact CB-OG1 3.12Å; D895-T898 VanDerWaalsContact CG-OG1 3.29Å; D895-T898 WeakPolarHBondContact OD1-CB 3.41Å; D895-T898 PolarHBondContact OD1-N 3.5Å; D895-T898 PolarHBondContact OD1-OG1 2.86Å; T898-L900 VanDerWaalsContact C-N 3.34Å; T898-H910 PolarHBondContact O-CE1 3.38Å |
| 899 | G | 73.2 | Confident | 62.4 | Low | 2 Ų | 2 | 69.9 Ų | 69.9 | 2% | 0.021 | 41% | 0.409 | C | S | . | . | trans | 75.7 | 18.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y877 D895 H910 | Y877-G899 VanDerWaalsContact CD2-N 3.33Å; D895-G899 WeakPolarHBondContact O-CA 3.42Å; D895-G899 PolarHBondContact O-N 2.91Å; G899-H910 PolarHBondContact O-ND1 2.8Å | ||
| 900 | L | 72.5 | Confident | 62.7 | Low | 53 Ų | 53 | 66.6 Ų | 66.6 | 28% | 0.277 | 39% | 0.39 | S | S | . | . | trans | -80 | 123 | 173.8 | -72 | 166.9 | 0 | 0 | 0 | 110.5 | C894 D895 T898 V908 | C894-L900 CarbonylContact C-O 3.56Å; C894-L900 VanDerWaalsContact CA-O 3.24Å; C894-L900 WeakPolarHBondContact CA-O 3.37Å; C894-L900 VanDerWaalsContact CB-O 3.31Å; C894-L900 WeakPolarHBondContact CB-O 3.01Å; D895-L900 PolarHBondContact N-O 3.46Å; T898-L900 VanDerWaalsContact C-N 3.34Å; L900-V908 HydrophobicContact CB-CG1 3.7Å; L900-V908 HydrophobicContact CD1-CG1 3.99Å; L900-V908 HydrophobicContact CD2-CG1 4.27Å; L900-V908 HydrophobicContact CG-CG1 4.21Å | ||
| 901 | C | 71.3 | Confident | 63.2 | Low | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 139 | 175.8 | -60.7 | 0 | 0 | 0 | 0 | 110.7 | C887 C903 G909 | C887-C901 WeakPolarHBondContact CA-SG 3.27Å; C887-C901 HydrophobicContact CB-CB 3.64Å; C887-C901 WeakPolarHBondContact CB-SG 3.3Å; C887-C901 WeakPolarHBondContact SG-CB 2.98Å; C887-C901 CovalentContact SG-SG 2.03Å; C887-C901 PolarHBondContact SG-SG 2.94Å; C901-C903 PolarHBondContact O-N 2.96Å; C901-G909 WeakPolarHBondContact CA-O 2.93Å; C901-G909 WeakPolarHBondContact CB-O 3.48Å; C901-G909 PolarHBondContact N-O 3.37Å; C901-G909 PolarHBondContact O-N 3.32Å |
| 902 | Q | 62.9 | Low | 63.6 | Low | 132 Ų | 132 | 65.7 Ų | 65.7 | 62% | 0.617 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 100.9 | 164.3 | -72.4 | 178.8 | -23.7 | 0 | 0 | 108 | I892 | I892-Q902 HydrophobicContact CG2-CB 4.05Å |
| 903 | C | 61.7 | Low | 63 | Low | 16 Ų | 16 | 65.5 Ų | 65.5 | 11% | 0.108 | 38% | 0.384 | C | S | . | . | trans | -82.9 | 158.9 | 177.1 | -54.5 | 0 | 0 | 0 | 0 | 110.5 | C901 G906 I907 C912 | C901-C903 PolarHBondContact O-N 2.96Å; C903-G906 PolarHBondContact O-N 3.34Å; C903-I907 HydrophobicContact CB-CB 4.33Å; C903-I907 VanDerWaalsContact CB-O 3.32Å; C903-I907 WeakPolarHBondContact CB-O 3.25Å; C903-I907 PolarHBondContact N-O 3.18Å; C903-C912 WeakPolarHBondContact CA-SG 3.43Å; C903-C912 HydrophobicContact CB-CB 3.85Å; C903-C912 WeakPolarHBondContact CB-SG 3.49Å; C903-C912 WeakPolarHBondContact SG-CA 3.42Å; C903-C912 WeakPolarHBondContact SG-CB 3.48Å; C903-C912 CovalentContact SG-SG 2.04Å; C903-C912 PolarHBondContact SG-SG 2.98Å | ||
| 904 | P | 51.6 | Low | 61.8 | Low | 70 Ų | 70 | 74.2 Ų | 74.2 | 46% | 0.455 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -51.3 | 148.3 | 169.4 | -26 | 35.5 | 0 | 0 | 0 | 111.7 | G906 | P904-G906 VanDerWaalsContact C-N 3.33Š|
| 905 | N | 52.6 | Low | 59.8 | Low | 159 Ų | 159 | 82.2 Ų | 82.2 | 85% | 0.85 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | 69.3 | 19.6 | -174.5 | -46.5 | -21.1 | 0 | 0 | 0 | 115.4 | I907 | N905-I907 VanDerWaalsContact C-N 3.27Å; N905-I907 PolarHBondContact O-N 2.78Å |
| 906 | G | 45.3 | Very low | 57.7 | Low | 68 Ų | 68 | 86.4 Ų | 86.4 | 70% | 0.701 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | 78.8 | 5.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115 | C903 P904 | C903-G906 PolarHBondContact O-N 3.34Å; P904-G906 VanDerWaalsContact C-N 3.33Å |
| 907 | I | 47.9 | Very low | 55.6 | Low | 108 Ų | 108 | 92.2 Ų | 92.2 | 55% | 0.554 | 51% | 0.511 | S | S | * | . | trans | -74.3 | 133.7 | 179.8 | -55.4 | 170.8 | 0 | 0 | 0 | 109.3 | C903 N905 | C903-I907 HydrophobicContact CB-CB 4.33Å; C903-I907 VanDerWaalsContact CB-O 3.32Å; C903-I907 WeakPolarHBondContact CB-O 3.25Å; C903-I907 PolarHBondContact N-O 3.18Å; N905-I907 VanDerWaalsContact C-N 3.27Å; N905-I907 PolarHBondContact O-N 2.78Å | ||
| 908 | V | 51.8 | Low | 53.5 | Low | 91 Ų | 91 | 94.8 Ų | 94.8 | 55% | 0.552 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 121.3 | -176.2 | -176.1 | 0 | 0 | 0 | 0 | 109.5 | L900 | L900-V908 HydrophobicContact CB-CG1 3.7Å; L900-V908 HydrophobicContact CD1-CG1 3.99Å; L900-V908 HydrophobicContact CD2-CG1 4.27Å; L900-V908 HydrophobicContact CG-CG1 4.21Å |
| 909 | G | 56.4 | Low | 51.4 | Low | 21 Ų | 21 | 101.6 Ų | 101.6 | 22% | 0.216 | 54% | 0.541 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.9 | 165.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | C901 K911 | C901-G909 WeakPolarHBondContact CA-O 2.93Å; C901-G909 WeakPolarHBondContact CB-O 3.48Å; C901-G909 PolarHBondContact N-O 3.37Å; C901-G909 PolarHBondContact O-N 3.32Å; G909-K911 VanDerWaalsContact C-N 3.35Å; G909-K911 PolarHBondContact O-N 2.96Å |
| 910 | H | 61.7 | Low | 49.5 | Very low | 111 Ų | 111 | 106.7 Ų | 106.7 | 51% | 0.514 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -76.3 | -14.3 | -172.5 | -67.9 | -58.9 | 0 | 0 | 0 | 115.4 | T898 G899 | T898-H910 PolarHBondContact O-CE1 3.38Å; G899-H910 PolarHBondContact O-ND1 2.8Å |
| 911 | K | 58.8 | Low | 47.8 | Very low | 137 Ų | 137 | 109 Ų | 109 | 60% | 0.596 | 59% | 0.594 | S | S | * | * | trans | -148.9 | 119.6 | 176.2 | -67.4 | -179.9 | 179.8 | 172.8 | 0 | 110.7 | Q886 G909 S913 | Q886-K911 HydrophobicContact CB-CG 4.32Å; G909-K911 VanDerWaalsContact C-N 3.35Å; G909-K911 PolarHBondContact O-N 2.96Å; K911-S913 PolarHBondContact O-N 3.25Å | ||
| 912 | C | 59.6 | Low | 46.2 | Very low | 34 Ų | 34 | 115.4 Ų | 115.4 | 23% | 0.23 | 63% | 0.628 | C | S | . | * | S | Bend | trans | -80.5 | 58.4 | 176.9 | -52.6 | 0 | 0 | 0 | 0 | 111.7 | C887 C903 | C887-C912 WeakPolarHBondContact O-CB 3.44Å; C903-C912 WeakPolarHBondContact CA-SG 3.43Å; C903-C912 HydrophobicContact CB-CB 3.85Å; C903-C912 WeakPolarHBondContact CB-SG 3.49Å; C903-C912 WeakPolarHBondContact SG-CA 3.42Å; C903-C912 WeakPolarHBondContact SG-CB 3.48Å; C903-C912 CovalentContact SG-SG 2.04Å; C903-C912 PolarHBondContact SG-SG 2.98Å |
| 913 | S | 45.4 | Very low | 44.9 | Very low | 87 Ų | 87 | 117 Ų | 117 | 61% | 0.608 | 64% | 0.641 | S | S | * | * | trans | -152.2 | 29 | -168.4 | -55.1 | 0 | 0 | 0 | 0 | 116 | K911 | K911-S913 PolarHBondContact O-N 3.25Š| ||
| 914 | M | 40.3 | Very low | 44.2 | Very low | 193 Ų | 193 | 123.4 Ų | 123.4 | 95% | 0.951 | 67% | 0.669 | S | S | * | * | trans | -132.4 | 125.6 | 164.4 | -74.6 | -176.2 | 165.4 | 0 | 0 | 109.2 | ||||
| 915 | Q | 36.5 | Very low | 43.8 | Very low | 185 Ų | 185 | 124.7 Ų | 124.7 | 86% | 0.864 | 68% | 0.678 | S | S | * | * | trans | -106.1 | 130.7 | 174.2 | -65.6 | 168.5 | -91.5 | 0 | 0 | 107.6 | ||||
| 916 | N | 32.9 | Very low | 43.5 | Very low | 154 Ų | 154 | 121.6 Ų | 121.6 | 82% | 0.824 | 67% | 0.668 | S | S | * | * | trans | -172.8 | -22.4 | 150.3 | -100.1 | -6.5 | 0 | 0 | 0 | 113.4 | I918 | N916-I918 PolarHBondContact O-N 3.37Š| ||
| 917 | D | 31.8 | Very low | 43.7 | Very low | 170 Ų | 170 | 118.6 Ų | 118.6 | 91% | 0.909 | 64% | 0.637 | S | S | * | * | trans | -75.9 | 105.9 | 178.1 | -57.3 | -46.7 | 0 | 0 | 0 | 111.2 | ||||
| 918 | I | 33.8 | Very low | 44.1 | Very low | 134 Ų | 134 | 116.9 Ų | 116.9 | 69% | 0.687 | 63% | 0.632 | S | S | * | * | trans | -137 | 114 | -174.9 | -70.8 | -177.7 | 0 | 0 | 0 | 109.9 | N916 | N916-I918 PolarHBondContact O-N 3.37Š| ||
| 919 | Y | 31.5 | Very low | 44.5 | Very low | 209 Ų | 209 | 117.7 Ų | 117.7 | 82% | 0.82 | 64% | 0.64 | S | S | * | * | trans | 66.4 | 116.7 | 160.1 | -78.1 | -125.7 | 0 | 0 | 0 | 119.2 | P921 | Y919-P921 HydrophobicContact CD1-CG 4.14Š| ||
| 920 | S | 32.3 | Very low | 44.9 | Very low | 109 Ų | 109 | 117.9 Ų | 117.9 | 76% | 0.762 | 64% | 0.641 | S | S | * | * | -131.2 | 150.9 | 102.7 | -157.4 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 921 | P | 36.9 | Very low | 45.6 | Very low | 101 Ų | 101 | 116.8 Ų | 116.8 | 66% | 0.656 | 63% | 0.633 | S | S | * | * | trans | -94.6 | 0.3 | -160.8 | -8.1 | 28.7 | 0 | 0 | 0 | 117.1 | Y919 | Y919-P921 HydrophobicContact CD1-CG 4.14Š| ||
| 922 | D | 37.8 | Very low | 46.5 | Very low | 134 Ų | 134 | 114 Ų | 114 | 72% | 0.717 | 62% | 0.618 | S | S | * | * | trans | -105.7 | 158.8 | -166.5 | -57.1 | -70.9 | 0 | 0 | 0 | 113.4 | ||||
| 923 | D | 35.9 | Very low | 46.8 | Very low | 166 Ų | 166 | 113 Ų | 113 | 89% | 0.888 | 61% | 0.614 | S | S | * | * | trans | 75.2 | 86.9 | 175.7 | -62.2 | -34.7 | 0 | 0 | 0 | 119.9 | ||||
| 924 | E | 47.3 | Very low | 47.6 | Very low | 150 Ų | 150 | 119.4 Ų | 119.4 | 70% | 0.701 | 63% | 0.631 | S | S | * | * | trans | -30 | 168 | 168.3 | -94.4 | -157 | 138.5 | 0 | 0 | 122.7 | ||||
| 925 | P | 42.2 | Very low | 48.6 | Very low | 98 Ų | 98 | 114.6 Ų | 114.6 | 64% | 0.636 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 129.2 | -161.3 | 30.1 | -37.1 | 0 | 0 | 0 | 115.7 | C927 | P925-C927 PolarHBondContact O-N 3.34Š|
| 926 | S | 46.4 | Very low | 49.9 | Very low | 93 Ų | 93 | 107.6 Ų | 107.6 | 65% | 0.65 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 117.7 | 176.2 | -75.4 | 0 | 0 | 0 | 0 | 113.7 | ||
| 927 | C | 51 | Low | 51.7 | Low | 5 Ų | 5 | 104.1 Ų | 104.1 | 3% | 0.034 | 57% | 0.572 | C | S | . | * | P | Polyproline II helix | trans | -58.5 | 152.3 | 166.5 | -69.2 | 0 | 0 | 0 | 0 | 112.9 | P925 R931 G933 C936 K950 | P925-C927 PolarHBondContact O-N 3.34Å; C927-R931 HydrophobicContact CB-CB 4.39Å; C927-R931 WeakPolarHBondContact CB-O 3.46Å; C927-G933 PolarHBondContact SG-O 2.04Å; C927-C936 WeakPolarHBondContact CA-SG 3.25Å; C927-C936 HydrophobicContact CB-CB 3.7Å; C927-C936 WeakPolarHBondContact CB-SG 3.45Å; C927-C936 WeakPolarHBondContact SG-CA 3.28Å; C927-C936 WeakPolarHBondContact SG-CB 3.46Å; C927-C936 CovalentContact SG-SG 2.04Å; C927-C936 PolarHBondContact SG-SG 3.39Å; C927-K950 HydrophobicContact CB-CD 4.36Å; C927-K950 WeakPolarHBondContact O-CD 3.23Å; C927-K950 PolarHBondContact O-NZ 3.29Å |
| 928 | P | 56.1 | Low | 53.2 | Low | 72 Ų | 72 | 100.5 Ų | 100.5 | 47% | 0.468 | 55% | 0.55 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 158.1 | 176.1 | 27.2 | -35.4 | 0 | 0 | 0 | 111.8 | G930 R931 | P928-G930 PolarHBondContact O-N 2.78Å; P928-R931 HydrophobicContact CG-CB 4.41Å; P928-R931 PolarHBondContact O-N 3.32Å; P928-R931 VanDerWaalsContact O-N 3.12Å |
| 929 | P | 59.3 | Low | 55.1 | Low | 109 Ų | 109 | 99.3 Ų | 99.3 | 71% | 0.708 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 136.1 | -174.3 | -29.2 | 36.3 | 0 | 0 | 0 | 114.4 | E947 | P929-E947 WeakPolarHBondContact CA-OE1 3.49Š|
| 930 | G | 65 | Low | 57.3 | Low | 24 Ų | 24 | 90.6 Ų | 90.6 | 25% | 0.247 | 51% | 0.513 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 10.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | P928 I939 C940 | P928-G930 PolarHBondContact O-N 2.78Å; G930-I939 WeakPolarHBondContact O-CA 3.43Å; G930-C940 PolarHBondContact O-N 2.84Å |
| 931 | R | 75.9 | Confident | 59.7 | Low | 89 Ų | 89 | 90.2 Ų | 90.2 | 34% | 0.336 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 151.9 | -179.9 | -68.2 | 178.5 | 158 | -74.4 | -13.8 | 113.8 | C927 P928 C936 T937 E938 | C927-R931 HydrophobicContact CB-CB 4.39Å; C927-R931 WeakPolarHBondContact CB-O 3.46Å; P928-R931 HydrophobicContact CG-CB 4.41Å; P928-R931 PolarHBondContact O-N 3.32Å; P928-R931 VanDerWaalsContact O-N 3.12Å; R931-C936 WeakPolarHBondContact CD-O 2.99Å; R931-C936 PolarHBondContact NH1-O 3.22Å; R931-T937 VanDerWaalsContact NH1-C 3.29Å; R931-T937 PolarHBondContact NH1-O 2.55Å; R931-E938 CarbonylContact C-O 3.58Å; R931-E938 WeakPolarHBondContact CA-O 3.44Å; R931-E938 WeakPolarHBondContact CB-O 3.23Å |
| 932 | W | 79.2 | Confident | 61.7 | Low | 77 Ų | 77 | 87 Ų | 87 | 29% | 0.292 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 175.5 | -177.7 | 69.6 | -81 | 0 | 0 | 0 | 113.8 | C936 E938 I939 C948 K950 G953 | W932-C936 WeakPolarHBondContact O-CA 3.47Å; W932-E938 HydrophobicContact CD2-CB 3.88Å; W932-E938 HydrophobicContact CD2-CG 4.48Å; W932-E938 HydrophobicContact CG-CB 4.02Å; W932-E938 HydrophobicContact CZ2-CB 4.08Å; W932-E938 HydrophobicContact CZ2-CG 4.34Å; W932-E938 PolarHBondContact N-O 3.26Å; W932-E938 PolarHBondContact O-N 3.44Å; W932-I939 PolarHBondContact NE1-O 3.44Å; W932-C948 VanDerWaalsContact CD1-SG 3.52Å; W932-K950 CarbonylContact C-O 3.5Å; W932-K950 VanDerWaalsContact CA-O 3.32Å; W932-K950 WeakPolarHBondContact CA-O 3.27Å; W932-K950 WeakPolarHBondContact CB-O 3.4Å; W932-G953 VanDerWaalsContact CE3-CA 3.5Å; W932-G953 VanDerWaalsContact CE3-N 3.28Å |
| 933 | G | 66.1 | Low | 63.4 | Low | 14 Ų | 14 | 87.1 Ų | 87.1 | 14% | 0.144 | 48% | 0.478 | C | S | . | . | S | Bend | trans | 87.2 | 166.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | C927 S935 C936 K950 | C927-G933 PolarHBondContact SG-O 2.04Å; G933-S935 PolarHBondContact O-N 2.99Å; G933-C936 PolarHBondContact O-N 3.02Å; G933-K950 PolarHBondContact N-O 2.86Å |
| 934 | K | 61 | Low | 64.9 | Low | 222 Ų | 222 | 81 Ų | 81 | 97% | 0.965 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -5.8 | -171.1 | -69.4 | -171.4 | 172.6 | -172.5 | 0 | 116.8 | ||
| 935 | S | 61 | Low | 65.8 | Low | 92 Ų | 92 | 74.8 Ų | 74.8 | 64% | 0.643 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.7 | 8 | 177.4 | -55.2 | 0 | 0 | 0 | 0 | 112.7 | G933 T937 | G933-S935 PolarHBondContact O-N 2.99Å; S935-T937 PolarHBondContact O-N 2.89Å; S935-T937 VanDerWaalsContact O-N 3.09Å |
| 936 | C | 64.7 | Low | 66.9 | Low | 38 Ų | 38 | 75.9 Ų | 75.9 | 26% | 0.257 | 42% | 0.423 | S | S | . | . | S | Bend | trans | 53 | 25.1 | -174.6 | -50.8 | 0 | 0 | 0 | 0 | 114.5 | C927 R931 W932 G933 | C927-C936 WeakPolarHBondContact CA-SG 3.25Å; C927-C936 HydrophobicContact CB-CB 3.7Å; C927-C936 WeakPolarHBondContact CB-SG 3.45Å; C927-C936 WeakPolarHBondContact SG-CA 3.28Å; C927-C936 WeakPolarHBondContact SG-CB 3.46Å; C927-C936 CovalentContact SG-SG 2.04Å; C927-C936 PolarHBondContact SG-SG 3.39Å; R931-C936 WeakPolarHBondContact CD-O 2.99Å; R931-C936 PolarHBondContact NH1-O 3.22Å; W932-C936 WeakPolarHBondContact O-CA 3.47Å; G933-C936 PolarHBondContact O-N 3.02Å |
| 937 | T | 69.9 | Low | 68 | Low | 81 Ų | 81 | 74.1 Ų | 74.1 | 50% | 0.497 | 41% | 0.405 | S | S | . | . | trans | -78 | -35.6 | -179.7 | 45.6 | 0 | 0 | 0 | 0 | 112.3 | R931 S935 | R931-T937 VanDerWaalsContact NH1-C 3.29Å; R931-T937 PolarHBondContact NH1-O 2.55Å; S935-T937 PolarHBondContact O-N 2.89Å; S935-T937 VanDerWaalsContact O-N 3.09Å | ||
| 938 | E | 63.6 | Low | 69.4 | Low | 94 Ų | 94 | 73.9 Ų | 73.9 | 44% | 0.439 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 150.2 | -177.3 | -49.5 | -42.2 | 116.6 | 0 | 0 | 111 | R931 W932 | R931-E938 CarbonylContact C-O 3.58Å; R931-E938 WeakPolarHBondContact CA-O 3.44Å; R931-E938 WeakPolarHBondContact CB-O 3.23Å; W932-E938 HydrophobicContact CD2-CB 3.88Å; W932-E938 HydrophobicContact CD2-CG 4.48Å; W932-E938 HydrophobicContact CG-CB 4.02Å; W932-E938 HydrophobicContact CZ2-CB 4.08Å; W932-E938 HydrophobicContact CZ2-CG 4.34Å; W932-E938 PolarHBondContact N-O 3.26Å; W932-E938 PolarHBondContact O-N 3.44Å |
| 939 | I | 74.8 | Confident | 70.2 | Confident | 109 Ų | 109 | 75 Ų | 75 | 56% | 0.559 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 145.6 | -179.7 | -59 | 175.9 | 0 | 0 | 0 | 108.1 | G930 W932 | G930-I939 WeakPolarHBondContact O-CA 3.43Å; W932-I939 PolarHBondContact NE1-O 3.44Å |
| 940 | C | 77.2 | Confident | 70.4 | Confident | 26 Ų | 26 | 71.7 Ų | 71.7 | 18% | 0.176 | 38% | 0.376 | C | S | . | . | trans | -66.4 | 133.6 | 174.7 | -62.4 | 0 | 0 | 0 | 0 | 111.3 | G930 C948 | G930-C940 PolarHBondContact O-N 2.84Å; C940-C948 WeakPolarHBondContact CA-SG 3.45Å; C940-C948 HydrophobicContact CB-CB 3.68Å; C940-C948 WeakPolarHBondContact CB-SG 3.44Å; C940-C948 WeakPolarHBondContact SG-CB 3.47Å; C940-C948 PolarHBondContact SG-N 3.43Å; C940-C948 CovalentContact SG-SG 2.04Å; C940-C948 PolarHBondContact SG-SG 3.24Å | ||
| 941 | D | 82.7 | Confident | 70.5 | Confident | 100 Ų | 100 | 74.4 Ų | 74.4 | 54% | 0.535 | 39% | 0.385 | S | S | . | . | trans | -118.2 | 79.9 | -176 | 178.1 | 6.4 | 0 | 0 | 0 | 109 | C955 K965 | D941-C955 PolarHBondContact O-SG 2.03Å; D941-C955 VanDerWaalsContact O-SG 3.39Å; D941-K965 WeakPolarHBondContact O-CG 3.22Å; D941-K965 WeakPolarHBondContact OD1-CE 3.32Å; D941-K965 IonicContact OD1-NZ 3.51Å; D941-K965 PolarHBondContact OD1-NZ 3.49Å; D941-K965 VanDerWaalsContact OD2-CE 3.23Å; D941-K965 WeakPolarHBondContact OD2-CE 3.27Å; D941-K965 IonicContact OD2-NZ 3.98Å; D941-K965 PolarHBondContact OD2-NZ 3.44Å | ||
| 942 | C | 79 | Confident | 70.5 | Confident | 33 Ų | 33 | 74 Ų | 74 | 22% | 0.223 | 39% | 0.392 | C | S | . | . | trans | -136.7 | 139.8 | -168.7 | -43.8 | 0 | 0 | 0 | 0 | 111.5 | C955 K965 | C942-C955 VanDerWaalsContact CA-SG 3.53Å; C942-C955 HydrophobicContact CB-CB 3.7Å; C942-C955 WeakPolarHBondContact CB-SG 3.42Å; C942-C955 WeakPolarHBondContact SG-CB 3.2Å; C942-C955 CovalentContact SG-SG 2.02Å; C942-C955 PolarHBondContact SG-SG 3.43Å; C942-K965 WeakPolarHBondContact CA-O 3.12Å | ||
| 943 | E | 72.3 | Confident | 70.2 | Confident | 137 Ų | 137 | 71 Ų | 71 | 64% | 0.64 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -92.1 | -51.1 | 176.5 | -67.3 | -163.2 | 158.4 | 0 | 0 | 112.7 | K965 | E943-K965 PolarHBondContact N-O 3.2Š|
| 944 | N | 68.3 | Low | 70.8 | Confident | 39 Ų | 39 | 74.4 Ų | 74.4 | 21% | 0.209 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -113.7 | 60.3 | -177 | -59.3 | -85.2 | 0 | 0 | 0 | 111.2 | F958 F961 C966 | N944-F958 HydrophobicContact CB-CD2 4.02Å; N944-F958 VanDerWaalsContact O-CD2 3.27Å; N944-F958 WeakPolarHBondContact O-CD2 3.34Å; N944-F958 PolarHBondContact O-N 2.95Å; N944-F961 HydrophobicContact CB-CB 4.24Å; N944-F961 HydrophobicContact CB-CD1 3.61Å; N944-F961 HydrophobicContact CB-CD2 3.79Å; N944-F961 HydrophobicContact CB-CE1 3.78Å; N944-F961 HydrophobicContact CB-CE2 3.96Å; N944-F961 HydrophobicContact CB-CG 3.61Å; N944-F961 HydrophobicContact CB-CZ 3.93Å; N944-F961 VanDerWaalsContact CG-CZ 3.49Å; N944-F961 WeakPolarHBondContact ND2-CE1 3.44Å; N944-F961 WeakPolarHBondContact OD1-CZ 3.05Å; N944-C966 HydrophobicContact CB-CB 4.02Å; N944-C966 WeakPolarHBondContact CB-O 3.09Å; N944-C966 PolarHBondContact ND2-O 2.84Å; N944-C966 VanDerWaalsContact O-CB 3.27Å; N944-C966 WeakPolarHBondContact O-CB 3.48Å |
| 945 | S | 67 | Low | 71.6 | Confident | 18 Ų | 18 | 64.3 Ų | 64.3 | 13% | 0.126 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 151.2 | -177.3 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | E947 I956 | S945-E947 PolarHBondContact OG-N 3.32Å; S945-E947 PolarHBondContact OG-O 3.22Å; S945-I956 WeakPolarHBondContact CB-O 3.4Å; S945-I956 PolarHBondContact OG-N 3.15Å; S945-I956 PolarHBondContact OG-O 3.2Å |
| 946 | V | 64.3 | Low | 72.3 | Confident | 121 Ų | 121 | 64 Ų | 64 | 73% | 0.733 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | -29.8 | 172.3 | -165.4 | 0 | 0 | 0 | 0 | 112.1 | F958 | V946-F958 HydrophobicContact CG2-CD1 4.31Å; V946-F958 HydrophobicContact CG2-CE1 3.31Å; V946-F958 HydrophobicContact CG2-CZ 3.62Å |
| 947 | E | 70.5 | Confident | 72.9 | Confident | 57 Ų | 57 | 62.6 Ų | 62.6 | 27% | 0.266 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 146.6 | -164.7 | -171.5 | 158.3 | -136.2 | 0 | 0 | 111.9 | P929 S945 K950 I956 | P929-E947 WeakPolarHBondContact CA-OE1 3.49Å; S945-E947 PolarHBondContact OG-N 3.32Å; S945-E947 PolarHBondContact OG-O 3.22Å; E947-K950 IonicContact OE1-NZ 2.65Å; E947-K950 PolarHBondContact OE1-NZ 2.87Å; E947-K950 IonicContact OE2-NZ 2.73Å; E947-I956 VanDerWaalsContact O-CB 3.31Å; E947-I956 WeakPolarHBondContact O-CB 3.41Å; E947-I956 PolarHBondContact O-N 3.17Å |
| 948 | C | 79.7 | Confident | 73.1 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 153.9 | 176.4 | 70 | 0 | 0 | 0 | 0 | 112.1 | W932 C940 K950 G953 L954 | W932-C948 VanDerWaalsContact CD1-SG 3.52Å; C940-C948 WeakPolarHBondContact CA-SG 3.45Å; C940-C948 HydrophobicContact CB-CB 3.68Å; C940-C948 WeakPolarHBondContact CB-SG 3.44Å; C940-C948 WeakPolarHBondContact SG-CB 3.47Å; C940-C948 PolarHBondContact SG-N 3.43Å; C940-C948 CovalentContact SG-SG 2.04Å; C940-C948 PolarHBondContact SG-SG 3.24Å; C948-K950 PolarHBondContact O-N 3.38Å; C948-G953 WeakPolarHBondContact CB-O 3.42Å; C948-L954 CarbonylContact C-O 3.58Å; C948-L954 WeakPolarHBondContact CA-O 3.45Å |
| 949 | H | 72.1 | Confident | 73.4 | Confident | 94 Ų | 94 | 60.8 Ų | 60.8 | 44% | 0.435 | 33% | 0.327 | S | S | . | . | trans | -61.3 | 115.9 | -177.9 | -177.8 | -100.6 | 0 | 0 | 0 | 111 | N951 T952 G953 L954 | H949-N951 PolarHBondContact O-N 2.87Å; H949-T952 PolarHBondContact ND1-OG1 3.01Å; H949-T952 PolarHBondContact O-N 3.12Å; H949-G953 PolarHBondContact O-N 3.1Å; H949-L954 HydrophobicContact CB-CB 4.39Å; H949-L954 WeakPolarHBondContact CB-O 3.05Å; H949-L954 PolarHBondContact N-O 3.29Å | ||
| 950 | K | 64.5 | Low | 73.2 | Confident | 40 Ų | 40 | 55.6 Ų | 55.6 | 17% | 0.174 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | -36.3 | -165.9 | -46.8 | -65.1 | -172 | 166.9 | 0 | 114 | C927 W932 G933 E947 C948 | C927-K950 HydrophobicContact CB-CD 4.36Å; C927-K950 WeakPolarHBondContact O-CD 3.23Å; C927-K950 PolarHBondContact O-NZ 3.29Å; W932-K950 CarbonylContact C-O 3.5Å; W932-K950 VanDerWaalsContact CA-O 3.32Å; W932-K950 WeakPolarHBondContact CA-O 3.27Å; W932-K950 WeakPolarHBondContact CB-O 3.4Å; G933-K950 PolarHBondContact N-O 2.86Å; E947-K950 IonicContact OE1-NZ 2.65Å; E947-K950 PolarHBondContact OE1-NZ 2.87Å; E947-K950 IonicContact OE2-NZ 2.73Å; C948-K950 PolarHBondContact O-N 3.38Å |
| 951 | N | 66.5 | Low | 73.3 | Confident | 82 Ų | 82 | 54.8 Ų | 54.8 | 44% | 0.439 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -15.3 | -173.6 | -68.5 | 5.8 | 0 | 0 | 0 | 114.4 | H949 | H949-N951 PolarHBondContact O-N 2.87Š|
| 952 | T | 75.1 | Confident | 73 | Confident | 79 Ų | 79 | 53.5 Ų | 53.5 | 49% | 0.485 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.8 | -12.1 | -172.3 | 62.7 | 0 | 0 | 0 | 0 | 115.2 | H949 L954 | H949-T952 PolarHBondContact ND1-OG1 3.01Å; H949-T952 PolarHBondContact O-N 3.12Å; T952-L954 PolarHBondContact O-N 3.16Å |
| 953 | G | 73 | Confident | 72.9 | Confident | 14 Ų | 14 | 52.8 Ų | 52.8 | 14% | 0.144 | 29% | 0.285 | C | S | . | . | trans | 75.4 | -0.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | W932 C948 H949 C955 | W932-G953 VanDerWaalsContact CE3-CA 3.5Å; W932-G953 VanDerWaalsContact CE3-N 3.28Å; C948-G953 WeakPolarHBondContact CB-O 3.42Å; H949-G953 PolarHBondContact O-N 3.1Å; G953-C955 PolarHBondContact O-N 2.04Å | ||
| 954 | L | 78.6 | Confident | 73.2 | Confident | 86 Ų | 86 | 52.1 Ų | 52.1 | 45% | 0.45 | 29% | 0.286 | S | S | . | . | trans | -69.1 | 124.9 | 179.6 | -169.6 | 71.5 | 0 | 0 | 0 | 110.5 | C948 H949 T952 N964 | C948-L954 CarbonylContact C-O 3.58Å; C948-L954 WeakPolarHBondContact CA-O 3.45Å; H949-L954 HydrophobicContact CB-CB 4.39Å; H949-L954 WeakPolarHBondContact CB-O 3.05Å; H949-L954 PolarHBondContact N-O 3.29Å; T952-L954 PolarHBondContact O-N 3.16Å; L954-N964 HydrophobicContact CD1-CB 3.95Å; L954-N964 WeakPolarHBondContact CD1-OD1 3Å | ||
| 955 | C | 78.8 | Confident | 73.7 | Confident | 11 Ų | 11 | 54.3 Ų | 54.3 | 7% | 0.074 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 138.6 | -174.8 | -61 | 0 | 0 | 0 | 0 | 112.8 | D941 C942 G953 N964 C966 | D941-C955 PolarHBondContact O-SG 2.03Å; D941-C955 VanDerWaalsContact O-SG 3.39Å; C942-C955 VanDerWaalsContact CA-SG 3.53Å; C942-C955 HydrophobicContact CB-CB 3.7Å; C942-C955 WeakPolarHBondContact CB-SG 3.42Å; C942-C955 WeakPolarHBondContact SG-CB 3.2Å; C942-C955 CovalentContact SG-SG 2.02Å; C942-C955 PolarHBondContact SG-SG 3.43Å; G953-C955 PolarHBondContact O-N 2.04Å; C955-N964 WeakPolarHBondContact CB-O 3.12Å; C955-N964 PolarHBondContact N-O 3.3Å; C955-N964 PolarHBondContact SG-O 3.3Å; C955-N964 VanDerWaalsContact SG-O 3.32Å; C955-C966 WeakPolarHBondContact CB-SG 3.05Å |
| 956 | I | 74.9 | Confident | 74.4 | Confident | 86 Ų | 86 | 53.4 Ų | 53.4 | 44% | 0.441 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 103.3 | 174.1 | -56.3 | 170.9 | 0 | 0 | 0 | 107.2 | S945 E947 | S945-I956 WeakPolarHBondContact CB-O 3.4Å; S945-I956 PolarHBondContact OG-N 3.15Å; S945-I956 PolarHBondContact OG-O 3.2Å; E947-I956 VanDerWaalsContact O-CB 3.31Å; E947-I956 WeakPolarHBondContact O-CB 3.41Å; E947-I956 PolarHBondContact O-N 3.17Å |
| 957 | C | 77.3 | Confident | 75.1 | Confident | 7 Ų | 7 | 51.4 Ų | 51.4 | 5% | 0.047 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 145.1 | -167.1 | -58.1 | 0 | 0 | 0 | 0 | 113.7 | F961 C966 | C957-F961 HydrophobicContact CB-CB 3.96Å; C957-F961 VanDerWaalsContact CB-O 3.28Å; C957-F961 WeakPolarHBondContact CB-O 3.04Å; C957-C966 WeakPolarHBondContact CA-SG 3.04Å; C957-C966 HydrophobicContact CB-CB 3.7Å; C957-C966 WeakPolarHBondContact CB-SG 3.32Å; C957-C966 PolarHBondContact N-SG 2.99Å; C957-C966 WeakPolarHBondContact SG-CA 3.28Å; C957-C966 WeakPolarHBondContact SG-CB 3.34Å; C957-C966 CovalentContact SG-SG 2.03Å; C957-C966 PolarHBondContact SG-SG 2.86Å |
| 958 | F | 74.7 | Confident | 75.4 | Confident | 83 Ų | 83 | 53.6 Ų | 53.6 | 36% | 0.364 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -56 | 152 | 164 | -72.3 | -51.8 | 0 | 0 | 0 | 110.2 | N944 V946 G960 F961 | N944-F958 HydrophobicContact CB-CD2 4.02Å; N944-F958 VanDerWaalsContact O-CD2 3.27Å; N944-F958 WeakPolarHBondContact O-CD2 3.34Å; N944-F958 PolarHBondContact O-N 2.95Å; V946-F958 HydrophobicContact CG2-CD1 4.31Å; V946-F958 HydrophobicContact CG2-CE1 3.31Å; V946-F958 HydrophobicContact CG2-CZ 3.62Å; F958-G960 PolarHBondContact O-N 3.4Å; F958-F961 HydrophobicContact CB-CD2 4.14Å; F958-F961 PolarHBondContact O-N 2.77Å; F958-F961 VanDerWaalsContact O-N 3.11Å |
| 959 | P | 69.6 | Low | 75.3 | Confident | 55 Ų | 55 | 60.1 Ų | 60.1 | 36% | 0.357 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.7 | 129.5 | 169.4 | -28.4 | 35.7 | 0 | 0 | 0 | 111.3 | G976 L977 R993 | P959-G976 WeakPolarHBondContact CA-O 3.3Å; P959-L977 HydrophobicContact CG-CD1 4.13Å; P959-R993 VanDerWaalsContact CB-O 3.3Å; P959-R993 WeakPolarHBondContact CB-O 3.43Å; P959-R993 WeakPolarHBondContact O-CA 3.27Å; P959-R993 WeakPolarHBondContact O-CB 3.26Å; P959-R993 WeakPolarHBondContact O-CG 3.35Å |
| 960 | G | 70.3 | Confident | 75.6 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | 6.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | F958 K969 C970 G976 H992 | F958-G960 PolarHBondContact O-N 3.4Å; G960-K969 WeakPolarHBondContact O-CA 3.48Å; G960-C970 WeakPolarHBondContact CA-SG 3.48Å; G960-C970 PolarHBondContact O-N 2.81Å; G960-C970 VanDerWaalsContact O-N 3.08Å; G960-G976 PolarHBondContact N-O 3.19Å; G960-H992 WeakPolarHBondContact CA-O 3.22Å; G960-H992 PolarHBondContact N-O 2.85Å; G960-H992 PolarHBondContact O-ND1 3.12Å |
| 961 | F | 80.2 | Confident | 76.4 | Confident | 9 Ų | 9 | 60.6 Ų | 60.6 | 4% | 0.039 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 153.3 | 177.6 | -65.2 | -94.8 | 0 | 0 | 0 | 113.4 | N944 C957 F958 C966 Q968 K969 H992 R993 | N944-F961 HydrophobicContact CB-CB 4.24Å; N944-F961 HydrophobicContact CB-CD1 3.61Å; N944-F961 HydrophobicContact CB-CD2 3.79Å; N944-F961 HydrophobicContact CB-CE1 3.78Å; N944-F961 HydrophobicContact CB-CE2 3.96Å; N944-F961 HydrophobicContact CB-CG 3.61Å; N944-F961 HydrophobicContact CB-CZ 3.93Å; N944-F961 VanDerWaalsContact CG-CZ 3.49Å; N944-F961 WeakPolarHBondContact ND2-CE1 3.44Å; N944-F961 WeakPolarHBondContact OD1-CZ 3.05Å; C957-F961 HydrophobicContact CB-CB 3.96Å; C957-F961 VanDerWaalsContact CB-O 3.28Å; C957-F961 WeakPolarHBondContact CB-O 3.04Å; F958-F961 HydrophobicContact CB-CD2 4.14Å; F958-F961 PolarHBondContact O-N 2.77Å; F958-F961 VanDerWaalsContact O-N 3.11Å; F961-C966 HydrophobicContact CB-CB 4.12Å; F961-Q968 CarbonylContact C-O 3.29Å; F961-Q968 VanDerWaalsContact CA-O 3.24Å; F961-Q968 WeakPolarHBondContact CA-O 3.33Å; F961-Q968 WeakPolarHBondContact CD1-O 3.19Å; F961-K969 HydrophobicContact CE1-CG 4.3Å; F961-H992 AromaticContact CE2-CE1 3.7Å; F961-H992 AromaticContact CZ-CE1 3.57Å; F961-R993 HydrophobicContact CE2-CG 4.41Å |
| 962 | I | 77.1 | Confident | 76.6 | Confident | 72 Ų | 72 | 67.3 Ų | 67.3 | 37% | 0.369 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 178.8 | -179.9 | -161.5 | 163.7 | 0 | 0 | 0 | 108.9 | C966 D967 Q968 | I962-C966 CarbonylContact O-C 3.58Å; I962-C966 WeakPolarHBondContact O-CA 3.34Å; I962-D967 PolarHBondContact O-N 2.85Å; I962-Q968 HydrophobicContact CG2-CB 3.74Å; I962-Q968 PolarHBondContact N-O 3.08Å; I962-Q968 WeakPolarHBondContact O-CB 3.2Å; I962-Q968 PolarHBondContact O-N 3.39Å |
| 963 | G | 76.5 | Confident | 76.5 | Confident | 19 Ų | 19 | 65 Ų | 65 | 20% | 0.196 | 33% | 0.332 | C | S | . | . | S | Bend | trans | 88.8 | 157.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K965 C966 | G963-K965 PolarHBondContact O-N 2.85Å; G963-K965 VanDerWaalsContact O-N 3.13Å; G963-C966 PolarHBondContact O-N 3.42Å |
| 964 | N | 77.6 | Confident | 76.8 | Confident | 122 Ų | 122 | 67.8 Ų | 67.8 | 65% | 0.652 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -22.4 | -168.1 | -67.6 | -7.4 | 0 | 0 | 0 | 113.7 | L954 C955 | L954-N964 HydrophobicContact CD1-CB 3.95Å; L954-N964 WeakPolarHBondContact CD1-OD1 3Å; C955-N964 WeakPolarHBondContact CB-O 3.12Å; C955-N964 PolarHBondContact N-O 3.3Å; C955-N964 PolarHBondContact SG-O 3.3Å; C955-N964 VanDerWaalsContact SG-O 3.32Å |
| 965 | K | 79.6 | Confident | 77 | Confident | 85 Ų | 85 | 66.7 Ų | 66.7 | 37% | 0.37 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 2.8 | 174.6 | -63.8 | -161.6 | 169.6 | -156.1 | 0 | 113.6 | D941 C942 E943 G963 D967 | D941-K965 WeakPolarHBondContact O-CG 3.22Å; D941-K965 WeakPolarHBondContact OD1-CE 3.32Å; D941-K965 IonicContact OD1-NZ 3.51Å; D941-K965 PolarHBondContact OD1-NZ 3.49Å; D941-K965 VanDerWaalsContact OD2-CE 3.23Å; D941-K965 WeakPolarHBondContact OD2-CE 3.27Å; D941-K965 IonicContact OD2-NZ 3.98Å; D941-K965 PolarHBondContact OD2-NZ 3.44Å; C942-K965 WeakPolarHBondContact CA-O 3.12Å; E943-K965 PolarHBondContact N-O 3.2Å; G963-K965 PolarHBondContact O-N 2.85Å; G963-K965 VanDerWaalsContact O-N 3.13Å; K965-D967 HydrophobicContact CB-CB 4.22Å; K965-D967 PolarHBondContact N-OD1 2.86Å; K965-D967 VanDerWaalsContact N-OD1 3.1Å |
| 966 | C | 80.8 | Confident | 76.4 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | S | Bend | trans | 59.8 | 39.1 | -165.6 | -46.5 | 0 | 0 | 0 | 0 | 111.9 | N944 C955 C957 F961 I962 G963 | N944-C966 HydrophobicContact CB-CB 4.02Å; N944-C966 WeakPolarHBondContact CB-O 3.09Å; N944-C966 PolarHBondContact ND2-O 2.84Å; N944-C966 VanDerWaalsContact O-CB 3.27Å; N944-C966 WeakPolarHBondContact O-CB 3.48Å; C955-C966 WeakPolarHBondContact CB-SG 3.05Å; C957-C966 WeakPolarHBondContact CA-SG 3.04Å; C957-C966 HydrophobicContact CB-CB 3.7Å; C957-C966 WeakPolarHBondContact CB-SG 3.32Å; C957-C966 PolarHBondContact N-SG 2.99Å; C957-C966 WeakPolarHBondContact SG-CA 3.28Å; C957-C966 WeakPolarHBondContact SG-CB 3.34Å; C957-C966 CovalentContact SG-SG 2.03Å; C957-C966 PolarHBondContact SG-SG 2.86Å; F961-C966 HydrophobicContact CB-CB 4.12Å; I962-C966 CarbonylContact O-C 3.58Å; I962-C966 WeakPolarHBondContact O-CA 3.34Å; G963-C966 PolarHBondContact O-N 3.42Å |
| 967 | D | 79.2 | Confident | 76 | Confident | 78 Ų | 78 | 67.1 Ų | 67.1 | 42% | 0.417 | 34% | 0.335 | S | S | . | . | trans | -83.9 | -18.4 | -179.9 | 50.2 | -65.6 | 0 | 0 | 0 | 113.1 | I962 K965 | I962-D967 PolarHBondContact O-N 2.85Å; K965-D967 HydrophobicContact CB-CB 4.22Å; K965-D967 PolarHBondContact N-OD1 2.86Å; K965-D967 VanDerWaalsContact N-OD1 3.1Å | ||
| 968 | Q | 77.8 | Confident | 75.6 | Confident | 104 Ų | 104 | 71.4 Ų | 71.4 | 49% | 0.486 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 139.9 | -174.7 | -66 | 157.7 | 39.9 | 0 | 0 | 110.3 | F961 I962 | F961-Q968 CarbonylContact C-O 3.29Å; F961-Q968 VanDerWaalsContact CA-O 3.24Å; F961-Q968 WeakPolarHBondContact CA-O 3.33Å; F961-Q968 WeakPolarHBondContact CD1-O 3.19Å; I962-Q968 HydrophobicContact CG2-CB 3.74Å; I962-Q968 PolarHBondContact N-O 3.08Å; I962-Q968 WeakPolarHBondContact O-CB 3.2Å; I962-Q968 PolarHBondContact O-N 3.39Å |
| 969 | K | 77.1 | Confident | 75.7 | Confident | 137 Ų | 137 | 68 Ų | 68 | 60% | 0.596 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 159.2 | 167.7 | -62.5 | -171.8 | 179.9 | -169.9 | 0 | 110.1 | G960 F961 | G960-K969 WeakPolarHBondContact O-CA 3.48Å; F961-K969 HydrophobicContact CE1-CG 4.3Å |
| 970 | C | 79.4 | Confident | 76.1 | Confident | 13 Ų | 13 | 69.7 Ų | 69.7 | 9% | 0.088 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 150.2 | 169.1 | -63.9 | 0 | 0 | 0 | 0 | 112.7 | G960 K974 C979 H992 | G960-C970 WeakPolarHBondContact CA-SG 3.48Å; G960-C970 PolarHBondContact O-N 2.81Å; G960-C970 VanDerWaalsContact O-N 3.08Å; C970-K974 HydrophobicContact CB-CB 4.2Å; C970-K974 VanDerWaalsContact CB-O 3.22Å; C970-K974 WeakPolarHBondContact CB-O 3.4Å; C970-C979 WeakPolarHBondContact CA-SG 3.46Å; C970-C979 HydrophobicContact CB-CB 3.75Å; C970-C979 WeakPolarHBondContact CB-SG 3.4Å; C970-C979 VanDerWaalsContact SG-CA 3.52Å; C970-C979 WeakPolarHBondContact SG-CB 3.28Å; C970-C979 CovalentContact SG-SG 2.02Å; C970-C979 PolarHBondContact SG-SG 3.47Å; C970-H992 HydrophobicContact CB-CB 4.46Å |
| 971 | E | 79.8 | Confident | 76 | Confident | 131 Ų | 131 | 74.2 Ų | 74.2 | 61% | 0.612 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 150.4 | 171.7 | -60 | 176.7 | 126.7 | 0 | 0 | 110.9 | G973 K974 | E971-G973 PolarHBondContact O-N 3.36Å; E971-G973 VanDerWaalsContact O-N 3.16Å; E971-K974 HydrophobicContact CB-CD 4.38Å; E971-K974 PolarHBondContact O-N 3.24Å; E971-K974 IonicContact OE2-NZ 3.25Å; E971-K974 PolarHBondContact OE2-NZ 3.22Å |
| 972 | K | 70.3 | Confident | 75.9 | Confident | 222 Ų | 222 | 78.6 Ų | 78.6 | 97% | 0.965 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | 123.6 | -179.6 | -74.7 | -163.6 | 175.4 | -168.4 | 0 | 110.8 | ||
| 973 | G | 74.2 | Confident | 75.7 | Confident | 30 Ų | 30 | 76.2 Ų | 76.2 | 31% | 0.309 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.3 | 1.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | E971 T982 C983 | E971-G973 PolarHBondContact O-N 3.36Å; E971-G973 VanDerWaalsContact O-N 3.16Å; G973-T982 WeakPolarHBondContact O-CA 3.33Å; G973-C983 PolarHBondContact O-N 2.83Å |
| 974 | K | 79.4 | Confident | 75.6 | Confident | 74 Ų | 74 | 78.4 Ų | 78.4 | 32% | 0.322 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 148 | 173.6 | -65.5 | 176.9 | -176.7 | 171.3 | 0 | 112.4 | C970 E971 C979 E981 | C970-K974 HydrophobicContact CB-CB 4.2Å; C970-K974 VanDerWaalsContact CB-O 3.22Å; C970-K974 WeakPolarHBondContact CB-O 3.4Å; E971-K974 HydrophobicContact CB-CD 4.38Å; E971-K974 PolarHBondContact O-N 3.24Å; E971-K974 IonicContact OE2-NZ 3.25Å; E971-K974 PolarHBondContact OE2-NZ 3.22Å; K974-C979 HydrophobicContact CB-CB 4.18Å; K974-E981 CarbonylContact C-O 3.52Å; K974-E981 WeakPolarHBondContact CA-O 3.33Å |
| 975 | Y | 82.6 | Confident | 75.5 | Confident | 63 Ų | 63 | 74 Ų | 74 | 25% | 0.247 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | -175.2 | 179.8 | 75.2 | -84.9 | 0 | 0 | 0 | 112.9 | C979 E981 C983 H992 S994 G995 | Y975-C979 CarbonylContact O-C 3.44Å; Y975-C979 WeakPolarHBondContact O-CA 3.34Å; Y975-E981 HydrophobicContact CD1-CB 3.69Å; Y975-E981 HydrophobicContact CD2-CB 3.94Å; Y975-E981 HydrophobicContact CE1-CB 3.45Å; Y975-E981 VanDerWaalsContact CE1-CB 3.45Å; Y975-E981 HydrophobicContact CE2-CB 3.71Å; Y975-E981 HydrophobicContact CE2-CG 4.13Å; Y975-E981 HydrophobicContact CG-CB 3.94Å; Y975-E981 VanDerWaalsContact CZ-CB 3.47Å; Y975-E981 PolarHBondContact N-O 2.02Å; Y975-E981 PolarHBondContact O-N 2.92Å; Y975-C983 HydrophobicContact CD1-CB 4.36Å; Y975-C983 VanDerWaalsContact CD1-SG 3.54Å; Y975-H992 WeakPolarHBondContact CA-O 3.46Å; Y975-H992 VanDerWaalsContact CB-O 3.29Å; Y975-H992 WeakPolarHBondContact CB-O 3.23Å; Y975-S994 VanDerWaalsContact CD2-C 3.5Å; Y975-S994 WeakPolarHBondContact CD2-O 3.3Å; Y975-S994 WeakPolarHBondContact CE2-O 3.07Å; Y975-G995 VanDerWaalsContact CD2-N 3.31Å |
| 976 | G | 65 | Low | 75.3 | Confident | 9 Ų | 9 | 74 Ų | 74 | 9% | 0.093 | 39% | 0.393 | C | S | . | . | S | Bend | trans | 79.6 | -167.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | P959 G960 N978 C979 | P959-G976 WeakPolarHBondContact CA-O 3.3Å; G960-G976 PolarHBondContact N-O 3.19Å; G976-N978 PolarHBondContact O-N 3.3Å; G976-C979 PolarHBondContact O-N 3.33Å |
| 977 | L | 67 | Low | 75.1 | Confident | 97 Ų | 97 | 76.7 Ų | 76.7 | 51% | 0.508 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -67.4 | 131.8 | -179.5 | -143.3 | 77 | 0 | 0 | 0 | 109.8 | P959 C979 T980 | P959-L977 HydrophobicContact CG-CD1 4.13Å; L977-C979 PolarHBondContact O-N 2.85Å; L977-T980 PolarHBondContact O-N 2.8Å; L977-T980 PolarHBondContact O-OG1 3.13Å |
| 978 | N | 68.9 | Low | 74.7 | Confident | 96 Ų | 96 | 73.8 Ų | 73.8 | 51% | 0.513 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | 52.5 | 20.2 | -176.8 | -61.7 | -27.2 | 0 | 0 | 0 | 115.6 | G976 T980 | G976-N978 PolarHBondContact O-N 3.3Å; N978-T980 VanDerWaalsContact C-N 3.29Å; N978-T980 HydrophobicContact CB-CG2 4.38Å; N978-T980 PolarHBondContact O-N 2.93Å |
| 979 | C | 77 | Confident | 74.5 | Confident | 12 Ų | 12 | 72.9 Ų | 72.9 | 8% | 0.081 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | 58.5 | 32.2 | -177.9 | -47.9 | 0 | 0 | 0 | 0 | 114.6 | C970 K974 Y975 G976 L977 | C970-C979 WeakPolarHBondContact CA-SG 3.46Å; C970-C979 HydrophobicContact CB-CB 3.75Å; C970-C979 WeakPolarHBondContact CB-SG 3.4Å; C970-C979 VanDerWaalsContact SG-CA 3.52Å; C970-C979 WeakPolarHBondContact SG-CB 3.28Å; C970-C979 CovalentContact SG-SG 2.02Å; C970-C979 PolarHBondContact SG-SG 3.47Å; K974-C979 HydrophobicContact CB-CB 4.18Å; Y975-C979 CarbonylContact O-C 3.44Å; Y975-C979 WeakPolarHBondContact O-CA 3.34Å; G976-C979 PolarHBondContact O-N 3.33Å; L977-C979 PolarHBondContact O-N 2.85Å |
| 980 | T | 78.2 | Confident | 74.3 | Confident | 91 Ų | 91 | 67.7 Ų | 67.7 | 56% | 0.558 | 38% | 0.376 | S | S | * | . | trans | -76 | -33.2 | -179.9 | 56.8 | 0 | 0 | 0 | 0 | 113.3 | L977 N978 | L977-T980 PolarHBondContact O-N 2.8Å; L977-T980 PolarHBondContact O-OG1 3.13Å; N978-T980 VanDerWaalsContact C-N 3.29Å; N978-T980 HydrophobicContact CB-CG2 4.38Å; N978-T980 PolarHBondContact O-N 2.93Å | ||
| 981 | E | 68.3 | Low | 74.1 | Confident | 94 Ų | 94 | 69 Ų | 69 | 44% | 0.439 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 143.4 | -175 | -56.2 | -45.6 | 116.7 | 0 | 0 | 111 | K974 Y975 | K974-E981 CarbonylContact C-O 3.52Å; K974-E981 WeakPolarHBondContact CA-O 3.33Å; Y975-E981 HydrophobicContact CD1-CB 3.69Å; Y975-E981 HydrophobicContact CD2-CB 3.94Å; Y975-E981 HydrophobicContact CE1-CB 3.45Å; Y975-E981 VanDerWaalsContact CE1-CB 3.45Å; Y975-E981 HydrophobicContact CE2-CB 3.71Å; Y975-E981 HydrophobicContact CE2-CG 4.13Å; Y975-E981 HydrophobicContact CG-CB 3.94Å; Y975-E981 VanDerWaalsContact CZ-CB 3.47Å; Y975-E981 PolarHBondContact N-O 2.02Å; Y975-E981 PolarHBondContact O-N 2.92Å |
| 982 | T | 78.6 | Confident | 73.7 | Confident | 102 Ų | 102 | 64.2 Ų | 64.2 | 63% | 0.626 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 125.9 | 179.5 | -55.9 | 0 | 0 | 0 | 0 | 109.4 | G973 | G973-T982 WeakPolarHBondContact O-CA 3.33Å |
| 983 | C | 71.8 | Confident | 73.9 | Confident | 21 Ų | 21 | 59.1 Ų | 59.1 | 14% | 0.142 | 34% | 0.335 | C | S | . | . | trans | -64.9 | 139.3 | -178.7 | -94.5 | 0 | 0 | 0 | 0 | 112.4 | G973 Y975 C990 G995 | G973-C983 PolarHBondContact O-N 2.83Å; Y975-C983 HydrophobicContact CD1-CB 4.36Å; Y975-C983 VanDerWaalsContact CD1-SG 3.54Å; C983-C990 HydrophobicContact CB-CB 3.51Å; C983-C990 WeakPolarHBondContact CB-SG 3.43Å; C983-C990 WeakPolarHBondContact SG-CB 3.44Å; C983-C990 CovalentContact SG-SG 2.03Å; C983-C990 PolarHBondContact SG-SG 2.95Å; C983-G995 VanDerWaalsContact SG-CA 3.59Å | ||
| 984 | A | 75.5 | Confident | 73.7 | Confident | 65 Ų | 65 | 61.1 Ų | 61.1 | 54% | 0.537 | 34% | 0.344 | S | S | . | . | trans | -99.5 | 25.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | L1007 | A984-L1007 HydrophobicContact CB-CD2 3.61Š| ||
| 985 | C | 75.1 | Confident | 73.3 | Confident | 31 Ų | 31 | 58.2 Ų | 58.2 | 21% | 0.209 | 34% | 0.335 | C | S | . | . | trans | -68.6 | 129.3 | 179 | -47.4 | 0 | 0 | 0 | 0 | 110.6 | G988 C997 | C985-G988 WeakPolarHBondContact CB-O 3.38Å; C985-C997 WeakPolarHBondContact CA-SG 3.36Å; C985-C997 HydrophobicContact CB-CB 3.75Å; C985-C997 WeakPolarHBondContact CB-SG 3.48Å; C985-C997 VanDerWaalsContact SG-CA 3.55Å; C985-C997 WeakPolarHBondContact SG-CB 3.36Å; C985-C997 CovalentContact SG-SG 2.03Å; C985-C997 PolarHBondContact SG-SG 2.03Å | ||
| 986 | V | 76.3 | Confident | 72.7 | Confident | 84 Ų | 84 | 57.8 Ų | 57.8 | 51% | 0.509 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -94.1 | -40.2 | 179.4 | -171.3 | 0 | 0 | 0 | 0 | 111.8 | L1007 N1009 | V986-L1007 PolarHBondContact N-O 2.56Å; V986-N1009 HydrophobicContact CB-CB 4.21Å; V986-N1009 HydrophobicContact CG2-CB 3.82Å |
| 987 | H | 74.6 | Confident | 73.3 | Confident | 57 Ų | 57 | 57.9 Ų | 57.9 | 26% | 0.264 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -142.7 | 73.7 | 177.7 | -49.4 | 106.1 | 0 | 0 | 0 | 109.4 | E1000 W1003 C1008 | H987-E1000 VanDerWaalsContact C-CD 3.43Å; H987-E1000 HydrophobicContact CB-CB 4.48Å; H987-E1000 WeakPolarHBondContact O-CB 3.13Å; H987-E1000 PolarHBondContact O-N 3.1Å; H987-W1003 HydrophobicContact CB-CB 4.32Å; H987-W1003 VanDerWaalsContact CB-CD1 3.48Å; H987-W1003 HydrophobicContact CB-CD2 3.75Å; H987-W1003 HydrophobicContact CB-CG 3.59Å; H987-W1003 AromaticContact CE1-CE2 3.81Å; H987-W1003 AromaticContact CE1-CE3 4Å; H987-W1003 AromaticContact CE1-CH2 3.23Å; H987-W1003 WeakPolarHBondContact CE1-CH2 3.45Å; H987-W1003 AromaticContact CE1-CZ2 3.37Å; H987-W1003 WeakPolarHBondContact CE1-CZ2 3.45Å; H987-W1003 AromaticContact CE1-CZ3 3.56Å; H987-W1003 AromaticContact CG-CD2 3.71Å; H987-W1003 AromaticContact CG-CE2 3.47Å; H987-W1003 VanDerWaalsContact CG-CE2 3.47Å; H987-W1003 AromaticContact CG-CZ2 3.8Å; H987-W1003 AromaticContact CG-NE1 3.68Å; H987-W1003 AromaticContact ND1-CD2 3.35Å; H987-W1003 AromaticContact ND1-CE2 3.34Å; H987-W1003 VanDerWaalsContact ND1-CE2 3.34Å; H987-W1003 AromaticContact ND1-CE3 3.36Å; H987-W1003 AromaticContact ND1-CH2 3.46Å; H987-W1003 WeakPolarHBondContact ND1-CH2 3.18Å; H987-W1003 AromaticContact ND1-CZ2 3.41Å; H987-W1003 WeakPolarHBondContact ND1-CZ2 3.18Å; H987-W1003 AromaticContact ND1-CZ3 3.42Å; H987-W1003 WeakPolarHBondContact ND1-CZ3 3.43Å; H987-W1003 AromaticContact NE2-CZ2 3.76Å; H987-C1008 HydrophobicContact CB-CB 4.48Å; H987-C1008 PolarHBondContact ND1-O 3.21Å; H987-C1008 WeakPolarHBondContact O-CB 3.41Å |
| 988 | G | 71.1 | Confident | 73.6 | Confident | 16 Ų | 16 | 58.7 Ų | 58.7 | 17% | 0.165 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.3 | 153.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | C985 E998 E1000 | C985-G988 WeakPolarHBondContact CB-O 3.38Å; G988-E998 CarbonylContact C-O 3.49Å; G988-E998 WeakPolarHBondContact CA-O 3.33Å; G988-E1000 PolarHBondContact N-OE1 2.81Å |
| 989 | T | 74.7 | Confident | 73.9 | Confident | 86 Ų | 86 | 54.4 Ų | 54.4 | 53% | 0.528 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 132.3 | 176.3 | 36.7 | 0 | 0 | 0 | 0 | 111.3 | D991 C997 E998 | T989-D991 PolarHBondContact O-N 2.7Å; T989-C997 CarbonylContact O-C 3.31Å; T989-C997 WeakPolarHBondContact O-CA 3.31Å; T989-E998 PolarHBondContact N-O 2.89Å; T989-E998 PolarHBondContact O-N 2.93Å; T989-E998 PolarHBondContact OG1-OE2 2.84Å |
| 990 | C | 71.9 | Confident | 74 | Confident | 28 Ų | 28 | 58.5 Ų | 58.5 | 19% | 0.189 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 114.8 | 173.6 | 179.2 | 0 | 0 | 0 | 0 | 109.7 | C983 H992 | C983-C990 HydrophobicContact CB-CB 3.51Å; C983-C990 WeakPolarHBondContact CB-SG 3.43Å; C983-C990 WeakPolarHBondContact SG-CB 3.44Å; C983-C990 CovalentContact SG-SG 2.03Å; C983-C990 PolarHBondContact SG-SG 2.95Å; C990-H992 PolarHBondContact O-N 2.97Å; C990-H992 VanDerWaalsContact O-N 3.17Å |
| 991 | D | 74.9 | Confident | 73.9 | Confident | 41 Ų | 41 | 57 Ų | 57 | 22% | 0.219 | 33% | 0.332 | C | S | . | . | trans | -61 | 120.8 | 164.5 | 166.1 | -128.6 | 0 | 0 | 0 | 108.5 | T989 R993 S994 G995 A996 | T989-D991 PolarHBondContact O-N 2.7Å; D991-R993 PolarHBondContact O-N 3.03Å; D991-R993 VanDerWaalsContact O-N 3.12Å; D991-R993 PolarHBondContact OD1-N 3.03Å; D991-R993 PolarHBondContact OD2-N 3.09Å; D991-R993 VanDerWaalsContact OD2-N 3.16Å; D991-S994 VanDerWaalsContact OD1-CB 3.27Å; D991-S994 WeakPolarHBondContact OD1-CB 3.07Å; D991-S994 PolarHBondContact OD1-N 2.81Å; D991-S994 PolarHBondContact OD1-OG 3.25Å; D991-G995 WeakPolarHBondContact O-CA 3.49Å; D991-G995 PolarHBondContact O-N 3.02Å; D991-A996 PolarHBondContact N-O 3.45Å | ||
| 992 | H | 72.8 | Confident | 74.4 | Confident | 29 Ų | 29 | 52.7 Ų | 52.7 | 13% | 0.134 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -31.5 | -177.6 | 69.9 | 115.6 | 0 | 0 | 0 | 112.7 | G960 F961 C970 Y975 C990 | G960-H992 WeakPolarHBondContact CA-O 3.22Å; G960-H992 PolarHBondContact N-O 2.85Å; G960-H992 PolarHBondContact O-ND1 3.12Å; F961-H992 AromaticContact CE2-CE1 3.7Å; F961-H992 AromaticContact CZ-CE1 3.57Å; C970-H992 HydrophobicContact CB-CB 4.46Å; Y975-H992 WeakPolarHBondContact CA-O 3.46Å; Y975-H992 VanDerWaalsContact CB-O 3.29Å; Y975-H992 WeakPolarHBondContact CB-O 3.23Å; C990-H992 PolarHBondContact O-N 2.97Å; C990-H992 VanDerWaalsContact O-N 3.17Å |
| 993 | R | 73.6 | Confident | 74.7 | Confident | 116 Ų | 116 | 51.2 Ų | 51.2 | 44% | 0.438 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -54.2 | -175.5 | -50.1 | -168.4 | -167.1 | -140.4 | 4.2 | 113.1 | P959 F961 D991 | P959-R993 VanDerWaalsContact CB-O 3.3Å; P959-R993 WeakPolarHBondContact CB-O 3.43Å; P959-R993 WeakPolarHBondContact O-CA 3.27Å; P959-R993 WeakPolarHBondContact O-CB 3.26Å; P959-R993 WeakPolarHBondContact O-CG 3.35Å; F961-R993 HydrophobicContact CE2-CG 4.41Å; D991-R993 PolarHBondContact O-N 3.03Å; D991-R993 VanDerWaalsContact O-N 3.12Å; D991-R993 PolarHBondContact OD1-N 3.03Å; D991-R993 PolarHBondContact OD2-N 3.09Å; D991-R993 VanDerWaalsContact OD2-N 3.16Å |
| 994 | S | 70.2 | Confident | 74.9 | Confident | 71 Ų | 71 | 54.9 Ų | 54.9 | 50% | 0.497 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -19.5 | -168.3 | 65.2 | 0 | 0 | 0 | 0 | 114.4 | Y975 D991 A996 | Y975-S994 VanDerWaalsContact CD2-C 3.5Å; Y975-S994 WeakPolarHBondContact CD2-O 3.3Å; Y975-S994 WeakPolarHBondContact CE2-O 3.07Å; D991-S994 VanDerWaalsContact OD1-CB 3.27Å; D991-S994 WeakPolarHBondContact OD1-CB 3.07Å; D991-S994 PolarHBondContact OD1-N 2.81Å; D991-S994 PolarHBondContact OD1-OG 3.25Å; S994-A996 PolarHBondContact O-N 2.91Å; S994-A996 VanDerWaalsContact OG-CB 3.3Å; S994-A996 WeakPolarHBondContact OG-CB 3.32Å; S994-A996 PolarHBondContact OG-N 3.01Å |
| 995 | G | 72.3 | Confident | 74.6 | Confident | 13 Ų | 13 | 55 Ų | 55 | 13% | 0.134 | 30% | 0.298 | C | S | . | . | trans | 71.9 | 8.7 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y975 C983 D991 | Y975-G995 VanDerWaalsContact CD2-N 3.31Å; C983-G995 VanDerWaalsContact SG-CA 3.59Å; D991-G995 WeakPolarHBondContact O-CA 3.49Å; D991-G995 PolarHBondContact O-N 3.02Å | ||
| 996 | A | 70 | Confident | 74.2 | Confident | 54 Ų | 54 | 61.6 Ų | 61.6 | 45% | 0.446 | 33% | 0.328 | S | S | . | . | trans | -62.4 | 136 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | D991 S994 | D991-A996 PolarHBondContact N-O 3.45Å; S994-A996 PolarHBondContact O-N 2.91Å; S994-A996 VanDerWaalsContact OG-CB 3.3Å; S994-A996 WeakPolarHBondContact OG-CB 3.32Å; S994-A996 PolarHBondContact OG-N 3.01Å | ||
| 997 | C | 77.1 | Confident | 74.2 | Confident | 12 Ų | 12 | 61 Ų | 61 | 8% | 0.081 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 113.5 | 173.1 | -54.8 | 0 | 0 | 0 | 0 | 109 | C985 T989 C999 M1006 C1008 | C985-C997 WeakPolarHBondContact CA-SG 3.36Å; C985-C997 HydrophobicContact CB-CB 3.75Å; C985-C997 WeakPolarHBondContact CB-SG 3.48Å; C985-C997 VanDerWaalsContact SG-CA 3.55Å; C985-C997 WeakPolarHBondContact SG-CB 3.36Å; C985-C997 CovalentContact SG-SG 2.03Å; C985-C997 PolarHBondContact SG-SG 2.03Å; T989-C997 CarbonylContact O-C 3.31Å; T989-C997 WeakPolarHBondContact O-CA 3.31Å; C997-C999 PolarHBondContact O-N 2.94Å; C997-M1006 PolarHBondContact SG-O 2.86Å; C997-C1008 WeakPolarHBondContact CB-SG 3.05Å |
| 998 | E | 72.1 | Confident | 74.4 | Confident | 113 Ų | 113 | 58.2 Ų | 58.2 | 53% | 0.528 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 114.8 | 162.7 | -61.2 | 171 | 140.1 | 0 | 0 | 106.9 | G988 T989 | G988-E998 CarbonylContact C-O 3.49Å; G988-E998 WeakPolarHBondContact CA-O 3.33Å; T989-E998 PolarHBondContact N-O 2.89Å; T989-E998 PolarHBondContact O-N 2.93Å; T989-E998 PolarHBondContact OG1-OE2 2.84Å |
| 999 | C | 76.8 | Confident | 74.9 | Confident | 6 Ų | 6 | 60.7 Ų | 60.7 | 4% | 0.041 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 134.9 | -171.7 | -62.6 | 0 | 0 | 0 | 0 | 113 | C997 W1003 N1005 C1008 D1020 | C997-C999 PolarHBondContact O-N 2.94Å; C999-W1003 HydrophobicContact CB-CB 3.99Å; C999-W1003 VanDerWaalsContact CB-O 3.24Å; C999-W1003 WeakPolarHBondContact CB-O 3.23Å; C999-N1005 PolarHBondContact SG-O 3.08Å; C999-C1008 WeakPolarHBondContact CA-SG 3.19Å; C999-C1008 HydrophobicContact CB-CB 3.79Å; C999-C1008 WeakPolarHBondContact CB-SG 3.13Å; C999-C1008 WeakPolarHBondContact SG-CA 3.5Å; C999-C1008 WeakPolarHBondContact SG-CB 3.01Å; C999-C1008 CovalentContact SG-SG 2.04Å; C999-C1008 PolarHBondContact SG-SG 3.44Å; C999-D1020 VanDerWaalsContact CB-OD1 3.27Å; C999-D1020 WeakPolarHBondContact CB-OD1 3.21Å; C999-D1020 PolarHBondContact N-OD1 2.75Å; C999-D1020 VanDerWaalsContact N-OD1 3.17Å |
| 1000 | E | 77.6 | Confident | 74.9 | Confident | 99 Ų | 99 | 62.3 Ų | 62.3 | 46% | 0.463 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -51.9 | 142.5 | 167.7 | -76.6 | 163 | -152.4 | 0 | 0 | 109.3 | H987 G988 G1002 W1003 | H987-E1000 VanDerWaalsContact C-CD 3.43Å; H987-E1000 HydrophobicContact CB-CB 4.48Å; H987-E1000 WeakPolarHBondContact O-CB 3.13Å; H987-E1000 PolarHBondContact O-N 3.1Å; G988-E1000 PolarHBondContact N-OE1 2.81Å; E1000-G1002 PolarHBondContact O-N 3.37Å; E1000-W1003 WeakPolarHBondContact O-CB 3.39Å; E1000-W1003 PolarHBondContact O-N 2.73Å |
| 1001 | P | 77.4 | Confident | 75.3 | Confident | 59 Ų | 59 | 64.3 Ų | 64.3 | 38% | 0.383 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 129.3 | -177.7 | -28 | 35 | 0 | 0 | 0 | 112.1 | G1018 A1019 V1036 | P1001-G1018 WeakPolarHBondContact CA-O 3.49Å; P1001-A1019 HydrophobicContact CG-CB 4.46Å; P1001-V1036 HydrophobicContact CB-CG1 3.86Å; P1001-V1036 WeakPolarHBondContact CB-O 3.2Å |
| 1002 | G | 78.5 | Confident | 75.6 | Confident | 3 Ų | 3 | 63 Ų | 63 | 3% | 0.031 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 97.8 | -10 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | E1000 P1011 C1012 G1018 P1035 | E1000-G1002 PolarHBondContact O-N 3.37Å; G1002-P1011 CarbonylContact O-C 3.57Å; G1002-P1011 VanDerWaalsContact O-CA 3.28Å; G1002-P1011 WeakPolarHBondContact O-CA 3.35Å; G1002-C1012 VanDerWaalsContact CA-SG 3.5Å; G1002-C1012 PolarHBondContact O-N 3.14Å; G1002-C1012 PolarHBondContact O-SG 3.48Å; G1002-C1012 VanDerWaalsContact O-SG 3.36Å; G1002-G1018 PolarHBondContact N-O 2.81Å; G1002-G1018 VanDerWaalsContact N-O 3.16Å; G1002-P1035 VanDerWaalsContact CA-C 3.5Å; G1002-P1035 WeakPolarHBondContact CA-O 3.27Å; G1002-P1035 PolarHBondContact N-O 2.82Å |
| 1003 | W | 83.5 | Confident | 75.7 | Confident | 72 Ų | 72 | 63 Ų | 63 | 27% | 0.273 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 158.5 | 176.5 | -59.1 | 93.9 | 0 | 0 | 0 | 112.7 | H987 C999 E1000 C1008 K1010 C1021 | H987-W1003 HydrophobicContact CB-CB 4.32Å; H987-W1003 VanDerWaalsContact CB-CD1 3.48Å; H987-W1003 HydrophobicContact CB-CD2 3.75Å; H987-W1003 HydrophobicContact CB-CG 3.59Å; H987-W1003 AromaticContact CE1-CE2 3.81Å; H987-W1003 AromaticContact CE1-CE3 4Å; H987-W1003 AromaticContact CE1-CH2 3.23Å; H987-W1003 WeakPolarHBondContact CE1-CH2 3.45Å; H987-W1003 AromaticContact CE1-CZ2 3.37Å; H987-W1003 WeakPolarHBondContact CE1-CZ2 3.45Å; H987-W1003 AromaticContact CE1-CZ3 3.56Å; H987-W1003 AromaticContact CG-CD2 3.71Å; H987-W1003 AromaticContact CG-CE2 3.47Å; H987-W1003 VanDerWaalsContact CG-CE2 3.47Å; H987-W1003 AromaticContact CG-CZ2 3.8Å; H987-W1003 AromaticContact CG-NE1 3.68Å; H987-W1003 AromaticContact ND1-CD2 3.35Å; H987-W1003 AromaticContact ND1-CE2 3.34Å; H987-W1003 VanDerWaalsContact ND1-CE2 3.34Å; H987-W1003 AromaticContact ND1-CE3 3.36Å; H987-W1003 AromaticContact ND1-CH2 3.46Å; H987-W1003 WeakPolarHBondContact ND1-CH2 3.18Å; H987-W1003 AromaticContact ND1-CZ2 3.41Å; H987-W1003 WeakPolarHBondContact ND1-CZ2 3.18Å; H987-W1003 AromaticContact ND1-CZ3 3.42Å; H987-W1003 WeakPolarHBondContact ND1-CZ3 3.43Å; H987-W1003 AromaticContact NE2-CZ2 3.76Å; C999-W1003 HydrophobicContact CB-CB 3.99Å; C999-W1003 VanDerWaalsContact CB-O 3.24Å; C999-W1003 WeakPolarHBondContact CB-O 3.23Å; E1000-W1003 WeakPolarHBondContact O-CB 3.39Å; E1000-W1003 PolarHBondContact O-N 2.73Å; W1003-C1008 HydrophobicContact CB-CB 4.12Å; W1003-K1010 WeakPolarHBondContact CA-O 3.18Å; W1003-C1021 PolarHBondContact O-SG 3.17Å; W1003-C1021 VanDerWaalsContact O-SG 3.41Å |
| 1004 | R | 77.5 | Confident | 75.8 | Confident | 97 Ų | 97 | 62.9 Ų | 62.9 | 37% | 0.366 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 172.4 | 179.2 | 54.6 | 166.6 | 176.6 | 156.7 | -3.1 | 112.3 | K1010 P1011 | R1004-K1010 HydrophobicContact CG-CB 4.14Å; R1004-K1010 WeakPolarHBondContact CG-O 3.07Å; R1004-K1010 PolarHBondContact N-O 3.09Å; R1004-K1010 PolarHBondContact O-N 3.49Å; R1004-P1011 PolarHBondContact NE-O 3.24Å; R1004-P1011 PolarHBondContact NH2-O 3.06Å |
| 1005 | N | 69.1 | Low | 76 | Confident | 69 Ų | 69 | 61 Ų | 61 | 37% | 0.369 | 34% | 0.335 | S | S | . | . | S | Bend | trans | 79.8 | 162.6 | -174 | 92.5 | 5.9 | 0 | 0 | 0 | 113.6 | C999 L1007 C1008 N1009 K1010 | C999-N1005 PolarHBondContact SG-O 3.08Å; N1005-L1007 PolarHBondContact O-N 2.86Å; N1005-L1007 PolarHBondContact OD1-N 2.97Å; N1005-C1008 PolarHBondContact O-N 3.41Å; N1005-C1008 PolarHBondContact OD1-N 3.12Å; N1005-N1009 PolarHBondContact ND2-OD1 3.43Å; N1005-N1009 PolarHBondContact OD1-N 2.03Å; N1005-N1009 PolarHBondContact OD1-OD1 3Å; N1005-K1010 VanDerWaalsContact ND2-CG 3.3Å; N1005-K1010 WeakPolarHBondContact ND2-CG 3.46Å |
| 1006 | M | 67.4 | Low | 76.4 | Confident | 168 Ų | 168 | 64 Ų | 64 | 83% | 0.828 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 4.3 | -171.9 | -49.5 | -163.9 | -51.5 | 0 | 0 | 115.4 | C997 | C997-M1006 PolarHBondContact SG-O 2.86Š|
| 1007 | L | 76.3 | Confident | 77.2 | Confident | 71 Ų | 71 | 64.2 Ų | 64.2 | 37% | 0.372 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.6 | -0.7 | 174.9 | -61.1 | 172.6 | 0 | 0 | 0 | 111.8 | A984 V986 N1005 N1009 | A984-L1007 HydrophobicContact CB-CD2 3.61Å; V986-L1007 PolarHBondContact N-O 2.56Å; N1005-L1007 PolarHBondContact O-N 2.86Å; N1005-L1007 PolarHBondContact OD1-N 2.97Å; L1007-N1009 HydrophobicContact CB-CB 4.3Å; L1007-N1009 WeakPolarHBondContact CD1-ND2 3.38Å; L1007-N1009 PolarHBondContact O-N 3.33Å; L1007-N1009 VanDerWaalsContact O-N 3.14Å |
| 1008 | C | 77.4 | Confident | 77.1 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | S | Bend | trans | 47.9 | 37.4 | -172.2 | -50.1 | 0 | 0 | 0 | 0 | 113.8 | H987 C997 C999 W1003 N1005 | H987-C1008 HydrophobicContact CB-CB 4.48Å; H987-C1008 PolarHBondContact ND1-O 3.21Å; H987-C1008 WeakPolarHBondContact O-CB 3.41Å; C997-C1008 WeakPolarHBondContact CB-SG 3.05Å; C999-C1008 WeakPolarHBondContact CA-SG 3.19Å; C999-C1008 HydrophobicContact CB-CB 3.79Å; C999-C1008 WeakPolarHBondContact CB-SG 3.13Å; C999-C1008 WeakPolarHBondContact SG-CA 3.5Å; C999-C1008 WeakPolarHBondContact SG-CB 3.01Å; C999-C1008 CovalentContact SG-SG 2.04Å; C999-C1008 PolarHBondContact SG-SG 3.44Å; W1003-C1008 HydrophobicContact CB-CB 4.12Å; N1005-C1008 PolarHBondContact O-N 3.41Å; N1005-C1008 PolarHBondContact OD1-N 3.12Å |
| 1009 | N | 81.8 | Confident | 77.1 | Confident | 68 Ų | 68 | 60.4 Ų | 60.4 | 36% | 0.364 | 32% | 0.324 | S | S | . | . | trans | -107.4 | 8.7 | -176.2 | 74.8 | 17.1 | 0 | 0 | 0 | 113.7 | V986 N1005 L1007 | V986-N1009 HydrophobicContact CB-CB 4.21Å; V986-N1009 HydrophobicContact CG2-CB 3.82Å; N1005-N1009 PolarHBondContact ND2-OD1 3.43Å; N1005-N1009 PolarHBondContact OD1-N 2.03Å; N1005-N1009 PolarHBondContact OD1-OD1 3Å; L1007-N1009 HydrophobicContact CB-CB 4.3Å; L1007-N1009 WeakPolarHBondContact CD1-ND2 3.38Å; L1007-N1009 PolarHBondContact O-N 3.33Å; L1007-N1009 VanDerWaalsContact O-N 3.14Å | ||
| 1010 | K | 74.9 | Confident | 76.8 | Confident | 119 Ų | 119 | 64.2 Ų | 64.2 | 52% | 0.517 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 131.1 | 169.6 | -67.9 | -71.5 | -179.3 | -178.8 | 0 | 109.1 | W1003 R1004 N1005 | W1003-K1010 WeakPolarHBondContact CA-O 3.18Å; R1004-K1010 HydrophobicContact CG-CB 4.14Å; R1004-K1010 WeakPolarHBondContact CG-O 3.07Å; R1004-K1010 PolarHBondContact N-O 3.09Å; R1004-K1010 PolarHBondContact O-N 3.49Å; N1005-K1010 VanDerWaalsContact ND2-CG 3.3Å; N1005-K1010 WeakPolarHBondContact ND2-CG 3.46Å |
| 1011 | P | 81.1 | Confident | 76.7 | Confident | 71 Ų | 71 | 60 Ų | 60 | 46% | 0.461 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 164.2 | 166 | 31 | -35.6 | 0 | 0 | 0 | 110.1 | G1002 R1004 | G1002-P1011 CarbonylContact O-C 3.57Å; G1002-P1011 VanDerWaalsContact O-CA 3.28Å; G1002-P1011 WeakPolarHBondContact O-CA 3.35Å; R1004-P1011 PolarHBondContact NE-O 3.24Å; R1004-P1011 PolarHBondContact NH2-O 3.06Å |
| 1012 | C | 79.4 | Confident | 76.5 | Confident | 14 Ų | 14 | 63.4 Ų | 63.4 | 10% | 0.095 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -50 | 157.8 | 176.6 | -66.6 | 0 | 0 | 0 | 0 | 114.1 | G1002 F1016 C1021 P1035 | G1002-C1012 VanDerWaalsContact CA-SG 3.5Å; G1002-C1012 PolarHBondContact O-N 3.14Å; G1002-C1012 PolarHBondContact O-SG 3.48Å; G1002-C1012 VanDerWaalsContact O-SG 3.36Å; C1012-F1016 HydrophobicContact CB-CB 4.44Å; C1012-F1016 VanDerWaalsContact CB-O 3.24Å; C1012-F1016 WeakPolarHBondContact CB-O 3.43Å; C1012-C1021 WeakPolarHBondContact CA-SG 3.38Å; C1012-C1021 HydrophobicContact CB-CB 3.83Å; C1012-C1021 WeakPolarHBondContact CB-SG 3.3Å; C1012-C1021 WeakPolarHBondContact SG-CB 2.94Å; C1012-C1021 CovalentContact SG-SG 2.03Å; C1012-C1021 PolarHBondContact SG-SG 3.35Å; C1012-P1035 HydrophobicContact CB-CB 3.94Å |
| 1013 | A | 76.4 | Confident | 76.3 | Confident | 28 Ų | 28 | 67.3 Ų | 67.3 | 23% | 0.231 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 145.1 | 166 | 0 | 0 | 0 | 0 | 0 | 108.7 | G1015 F1016 | A1013-G1015 PolarHBondContact O-N 2.98Å; A1013-F1016 HydrophobicContact CB-CD2 3.94Å; A1013-F1016 HydrophobicContact CB-CE2 4.45Å; A1013-F1016 PolarHBondContact O-N 3.17Å |
| 1014 | P | 75.5 | Confident | 76.1 | Confident | 114 Ų | 114 | 72.5 Ų | 72.5 | 74% | 0.74 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | 128.8 | 174.6 | -28.4 | 35.6 | 0 | 0 | 0 | 111.6 | ||
| 1015 | G | 73.6 | Confident | 76.1 | Confident | 30 Ų | 30 | 68.5 Ų | 68.5 | 31% | 0.309 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | 12.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | A1013 C1025 | A1013-G1015 PolarHBondContact O-N 2.98Å; G1015-C1025 PolarHBondContact O-N 3.34Å |
| 1016 | F | 81.7 | Confident | 76.6 | Confident | 77 Ų | 77 | 71.7 Ų | 71.7 | 34% | 0.338 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 147.8 | 172.1 | -65 | -97.9 | 0 | 0 | 0 | 111.9 | C1012 A1013 C1021 H1023 C1025 | C1012-F1016 HydrophobicContact CB-CB 4.44Å; C1012-F1016 VanDerWaalsContact CB-O 3.24Å; C1012-F1016 WeakPolarHBondContact CB-O 3.43Å; A1013-F1016 HydrophobicContact CB-CD2 3.94Å; A1013-F1016 HydrophobicContact CB-CE2 4.45Å; A1013-F1016 PolarHBondContact O-N 3.17Å; F1016-C1021 HydrophobicContact CB-CB 4.04Å; F1016-C1021 WeakPolarHBondContact CD1-O 3.49Å; F1016-H1023 CarbonylContact C-O 3.56Å; F1016-H1023 VanDerWaalsContact CA-O 3.24Å; F1016-H1023 WeakPolarHBondContact CA-O 3.2Å; F1016-C1025 VanDerWaalsContact C-SG 3.58Å; F1016-C1025 PolarHBondContact N-SG 3.43Å |
| 1017 | Y | 86.2 | Confident | 77.1 | Confident | 58 Ų | 58 | 65 Ų | 65 | 23% | 0.227 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 173.3 | -177.4 | 78.8 | -81.3 | 0 | 0 | 0 | 113.1 | C1021 H1023 C1025 P1035 T1037 G1038 | Y1017-C1021 CarbonylContact O-C 3.39Å; Y1017-C1021 WeakPolarHBondContact O-CA 3.34Å; Y1017-H1023 HydrophobicContact CD1-CB 3.67Å; Y1017-H1023 HydrophobicContact CD2-CB 4.31Å; Y1017-H1023 HydrophobicContact CE1-CB 3.35Å; Y1017-H1023 HydrophobicContact CE2-CB 4.05Å; Y1017-H1023 HydrophobicContact CG-CB 4.16Å; Y1017-H1023 PolarHBondContact N-O 3.28Å; Y1017-H1023 PolarHBondContact O-N 2.81Å; Y1017-H1023 VanDerWaalsContact O-N 3.14Å; Y1017-C1025 HydrophobicContact CD1-CB 4.32Å; Y1017-C1025 VanDerWaalsContact CD1-SG 3.59Å; Y1017-P1035 CarbonylContact C-O 3.51Å; Y1017-P1035 WeakPolarHBondContact CA-O 3.16Å; Y1017-P1035 WeakPolarHBondContact CB-O 3.37Å; Y1017-T1037 VanDerWaalsContact CD2-C 3.47Å; Y1017-T1037 WeakPolarHBondContact CD2-O 3.24Å; Y1017-T1037 VanDerWaalsContact CE2-O 3.3Å; Y1017-T1037 WeakPolarHBondContact CE2-O 3.05Å; Y1017-G1038 VanDerWaalsContact CD2-N 3.32Å |
| 1018 | G | 74.6 | Confident | 77 | Confident | 6 Ų | 6 | 64.2 Ų | 64.2 | 6% | 0.062 | 34% | 0.343 | C | S | . | . | S | Bend | trans | 84.5 | -175.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | P1001 G1002 D1020 C1021 P1035 | P1001-G1018 WeakPolarHBondContact CA-O 3.49Å; G1002-G1018 PolarHBondContact N-O 2.81Å; G1002-G1018 VanDerWaalsContact N-O 3.16Å; G1018-D1020 PolarHBondContact O-N 3.49Å; G1018-C1021 PolarHBondContact O-N 2.86Å; G1018-P1035 PolarHBondContact N-O 2.86Å |
| 1019 | A | 72.7 | Confident | 76.5 | Confident | 40 Ų | 40 | 67.9 Ų | 67.9 | 33% | 0.331 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -59.3 | 134.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | P1001 C1021 Q1022 | P1001-A1019 HydrophobicContact CG-CB 4.46Å; A1019-C1021 PolarHBondContact O-N 2.03Å; A1019-Q1022 WeakPolarHBondContact O-CG 3.39Å; A1019-Q1022 PolarHBondContact O-N 2.82Å; A1019-Q1022 VanDerWaalsContact O-N 3.16Å; A1019-Q1022 PolarHBondContact O-NE2 3.25Å |
| 1020 | D | 69.6 | Low | 75.7 | Confident | 86 Ų | 86 | 67.5 Ų | 67.5 | 46% | 0.46 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | 49.6 | 17.9 | -170.1 | -69.2 | -30.6 | 0 | 0 | 0 | 115.4 | C999 G1018 Q1022 | C999-D1020 VanDerWaalsContact CB-OD1 3.27Å; C999-D1020 WeakPolarHBondContact CB-OD1 3.21Å; C999-D1020 PolarHBondContact N-OD1 2.75Å; C999-D1020 VanDerWaalsContact N-OD1 3.17Å; G1018-D1020 PolarHBondContact O-N 3.49Å; D1020-Q1022 PolarHBondContact O-N 2.85Å |
| 1021 | C | 76.6 | Confident | 75.4 | Confident | 11 Ų | 11 | 62.4 Ų | 62.4 | 7% | 0.074 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | 56.6 | 29.9 | -174 | -48.5 | 0 | 0 | 0 | 0 | 113.9 | W1003 C1012 F1016 Y1017 G1018 A1019 H1023 | W1003-C1021 PolarHBondContact O-SG 3.17Å; W1003-C1021 VanDerWaalsContact O-SG 3.41Å; C1012-C1021 WeakPolarHBondContact CA-SG 3.38Å; C1012-C1021 HydrophobicContact CB-CB 3.83Å; C1012-C1021 WeakPolarHBondContact CB-SG 3.3Å; C1012-C1021 WeakPolarHBondContact SG-CB 2.94Å; C1012-C1021 CovalentContact SG-SG 2.03Å; C1012-C1021 PolarHBondContact SG-SG 3.35Å; F1016-C1021 HydrophobicContact CB-CB 4.04Å; F1016-C1021 WeakPolarHBondContact CD1-O 3.49Å; Y1017-C1021 CarbonylContact O-C 3.39Å; Y1017-C1021 WeakPolarHBondContact O-CA 3.34Å; G1018-C1021 PolarHBondContact O-N 2.86Å; A1019-C1021 PolarHBondContact O-N 2.03Å; C1021-H1023 VanDerWaalsContact C-N 3.27Å; C1021-H1023 PolarHBondContact O-N 2.04Å |
| 1022 | Q | 73 | Confident | 75 | Confident | 129 Ų | 129 | 65.7 Ų | 65.7 | 60% | 0.603 | 37% | 0.365 | S | S | * | . | trans | -70.3 | -18.7 | -172.3 | 73.1 | -169.4 | -88.3 | 0 | 0 | 114.2 | A1019 D1020 | A1019-Q1022 WeakPolarHBondContact O-CG 3.39Å; A1019-Q1022 PolarHBondContact O-N 2.82Å; A1019-Q1022 VanDerWaalsContact O-N 3.16Å; A1019-Q1022 PolarHBondContact O-NE2 3.25Å; D1020-Q1022 PolarHBondContact O-N 2.85Å | ||
| 1023 | H | 74.5 | Confident | 75.1 | Confident | 85 Ų | 85 | 66 Ų | 66 | 39% | 0.394 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 135.9 | 179.4 | -55.2 | -51.8 | 0 | 0 | 0 | 111 | F1016 Y1017 C1021 | F1016-H1023 CarbonylContact C-O 3.56Å; F1016-H1023 VanDerWaalsContact CA-O 3.24Å; F1016-H1023 WeakPolarHBondContact CA-O 3.2Å; Y1017-H1023 HydrophobicContact CD1-CB 3.67Å; Y1017-H1023 HydrophobicContact CD2-CB 4.31Å; Y1017-H1023 HydrophobicContact CE1-CB 3.35Å; Y1017-H1023 HydrophobicContact CE2-CB 4.05Å; Y1017-H1023 HydrophobicContact CG-CB 4.16Å; Y1017-H1023 PolarHBondContact N-O 3.28Å; Y1017-H1023 PolarHBondContact O-N 2.81Å; Y1017-H1023 VanDerWaalsContact O-N 3.14Å; C1021-H1023 VanDerWaalsContact C-N 3.27Å; C1021-H1023 PolarHBondContact O-N 2.04Å |
| 1024 | R | 79.6 | Confident | 75.4 | Confident | 181 Ų | 181 | 67.5 Ų | 67.5 | 68% | 0.683 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 130.7 | 169.9 | 165.1 | 178.1 | -87.1 | -107.9 | -1 | 109 | ||
| 1025 | C | 77.4 | Confident | 75.3 | Confident | 14 Ų | 14 | 64.1 Ų | 64.1 | 10% | 0.095 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 136.8 | 176.4 | -56.1 | 0 | 0 | 0 | 0 | 111.2 | G1015 F1016 Y1017 C1027 C1033 | G1015-C1025 PolarHBondContact O-N 3.34Å; F1016-C1025 VanDerWaalsContact C-SG 3.58Å; F1016-C1025 PolarHBondContact N-SG 3.43Å; Y1017-C1025 HydrophobicContact CD1-CB 4.32Å; Y1017-C1025 VanDerWaalsContact CD1-SG 3.59Å; C1025-C1027 VanDerWaalsContact C-N 3.26Å; C1025-C1027 PolarHBondContact O-N 3Å; C1025-C1033 HydrophobicContact CB-CB 3.59Å; C1025-C1033 WeakPolarHBondContact CB-SG 3.22Å; C1025-C1033 WeakPolarHBondContact SG-CB 3.26Å; C1025-C1033 CovalentContact SG-SG 2.02Å; C1025-C1033 PolarHBondContact SG-SG 3.28Å |
| 1026 | L | 78 | Confident | 75.7 | Confident | 136 Ų | 136 | 66.2 Ų | 66.2 | 71% | 0.712 | 36% | 0.355 | S | S | * | . | trans | -87.6 | 6.1 | 179.4 | -62.4 | 177.6 | 0 | 0 | 0 | 113.1 | T1028 | L1026-T1028 PolarHBondContact O-N 3.22Š| ||
| 1027 | C | 79.2 | Confident | 75.7 | Confident | 27 Ų | 27 | 66.2 Ų | 66.2 | 18% | 0.182 | 36% | 0.362 | C | S | . | . | trans | -60.6 | 127.3 | -179.8 | -48.7 | 0 | 0 | 0 | 0 | 111.8 | C1025 A1031 C1040 | C1025-C1027 VanDerWaalsContact C-N 3.26Å; C1025-C1027 PolarHBondContact O-N 3Å; C1027-A1031 HydrophobicContact CB-CB 4.21Å; C1027-A1031 VanDerWaalsContact CB-O 3.31Å; C1027-A1031 WeakPolarHBondContact CB-O 3.4Å; C1027-C1040 WeakPolarHBondContact CA-SG 3.22Å; C1027-C1040 HydrophobicContact CB-CB 3.83Å; C1027-C1040 WeakPolarHBondContact CB-SG 3.31Å; C1027-C1040 VanDerWaalsContact SG-CA 3.54Å; C1027-C1040 WeakPolarHBondContact SG-CB 3.48Å; C1027-C1040 CovalentContact SG-SG 2.03Å; C1027-C1040 PolarHBondContact SG-SG 3.11Å | ||
| 1028 | T | 73.7 | Confident | 75.4 | Confident | 54 Ų | 54 | 64 Ų | 64 | 33% | 0.331 | 36% | 0.357 | S | S | . | . | trans | -98.9 | 175 | 176.4 | 63.2 | 0 | 0 | 0 | 0 | 110.7 | L1026 G1030 A1031 A1050 C1051 D1052 | L1026-T1028 PolarHBondContact O-N 3.22Å; T1028-G1030 PolarHBondContact O-N 2.96Å; T1028-A1031 PolarHBondContact O-N 2.85Å; T1028-A1031 VanDerWaalsContact O-N 3.14Å; T1028-A1050 PolarHBondContact N-O 3.38Å; T1028-A1050 PolarHBondContact OG1-O 3.48Å; T1028-C1051 VanDerWaalsContact OG1-C 3.28Å; T1028-C1051 PolarHBondContact OG1-O 2.85Å; T1028-D1052 VanDerWaalsContact OG1-CA 3.22Å; T1028-D1052 WeakPolarHBondContact OG1-CA 3.03Å; T1028-D1052 PolarHBondContact OG1-N 3.47Å | ||
| 1029 | N | 66.9 | Low | 75.7 | Confident | 77 Ų | 77 | 69.2 Ų | 69.2 | 41% | 0.412 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 26 | 172.8 | -55.1 | -56.6 | 0 | 0 | 0 | 115.8 | A1031 W1046 C1051 | N1029-A1031 VanDerWaalsContact C-N 3.29Å; N1029-A1031 PolarHBondContact O-N 3.02Å; N1029-W1046 HydrophobicContact CB-CD2 3.7Å; N1029-W1046 HydrophobicContact CB-CE3 4.08Å; N1029-W1046 HydrophobicContact CB-CG 4.17Å; N1029-W1046 HydrophobicContact CB-CH2 4.2Å; N1029-W1046 HydrophobicContact CB-CZ2 3.82Å; N1029-W1046 HydrophobicContact CB-CZ3 4.32Å; N1029-W1046 VanDerWaalsContact CG-CH2 3.41Å; N1029-W1046 VanDerWaalsContact CG-CZ3 3.48Å; N1029-W1046 WeakPolarHBondContact ND2-CZ3 3.4Å; N1029-W1046 WeakPolarHBondContact OD1-CH2 3.24Å; N1029-C1051 PolarHBondContact ND2-O 2.94Å |
| 1030 | G | 64 | Low | 76.1 | Confident | 61 Ų | 61 | 68.5 Ų | 68.5 | 63% | 0.629 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 14 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | T1028 N1043 | T1028-G1030 PolarHBondContact O-N 2.96Å; G1030-N1043 PolarHBondContact O-ND2 2.95Å |
| 1031 | A | 69.9 | Low | 76.6 | Confident | 12 Ų | 12 | 70 Ų | 70 | 10% | 0.099 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 136.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | C1027 T1028 N1029 N1043 C1051 | C1027-A1031 HydrophobicContact CB-CB 4.21Å; C1027-A1031 VanDerWaalsContact CB-O 3.31Å; C1027-A1031 WeakPolarHBondContact CB-O 3.4Å; T1028-A1031 PolarHBondContact O-N 2.85Å; T1028-A1031 VanDerWaalsContact O-N 3.14Å; N1029-A1031 VanDerWaalsContact C-N 3.29Å; N1029-A1031 PolarHBondContact O-N 3.02Å; A1031-N1043 PolarHBondContact N-ND2 2.04Å; A1031-C1051 HydrophobicContact CB-CB 3.7Å; A1031-C1051 VanDerWaalsContact CB-SG 3.53Å |
| 1032 | E | 72.9 | Confident | 76.6 | Confident | 140 Ų | 140 | 69.7 Ų | 69.7 | 65% | 0.654 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 146.2 | 172.2 | -64.9 | -169.1 | 150.7 | 0 | 0 | 109.7 | E1041 | E1032-E1041 PolarHBondContact O-N 3.34Å |
| 1033 | C | 81.4 | Confident | 76.7 | Confident | 19 Ų | 19 | 67.1 Ų | 67.1 | 13% | 0.128 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 145.8 | 171.5 | 40 | 0 | 0 | 0 | 0 | 110.3 | C1025 D1039 | C1025-C1033 HydrophobicContact CB-CB 3.59Å; C1025-C1033 WeakPolarHBondContact CB-SG 3.22Å; C1025-C1033 WeakPolarHBondContact SG-CB 3.26Å; C1025-C1033 CovalentContact SG-SG 2.02Å; C1025-C1033 PolarHBondContact SG-SG 3.28Å; C1033-D1039 CarbonylContact C-O 3.52Å; C1033-D1039 WeakPolarHBondContact CA-O 3.39Å |
| 1034 | D | 81.4 | Confident | 77.1 | Confident | 60 Ų | 60 | 66.7 Ų | 66.7 | 32% | 0.321 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 126.9 | 155.9 | 173.3 | -91.9 | 0 | 0 | 0 | 109 | V1036 T1037 G1038 D1039 | D1034-V1036 VanDerWaalsContact C-N 3.27Å; D1034-V1036 PolarHBondContact O-N 3.35Å; D1034-V1036 WeakPolarHBondContact OD1-CA 3.18Å; D1034-V1036 VanDerWaalsContact OD1-CB 3.3Å; D1034-V1036 WeakPolarHBondContact OD1-CB 3.34Å; D1034-V1036 PolarHBondContact OD1-N 3.49Å; D1034-T1037 WeakPolarHBondContact CB-OG1 3.44Å; D1034-T1037 WeakPolarHBondContact OD1-CB 3.41Å; D1034-T1037 PolarHBondContact OD1-N 2.73Å; D1034-T1037 PolarHBondContact OD1-OG1 3.44Å; D1034-G1038 VanDerWaalsContact O-CA 3.29Å; D1034-G1038 WeakPolarHBondContact O-CA 3.03Å; D1034-G1038 PolarHBondContact O-N 3.44Å; D1034-D1039 PolarHBondContact N-O 3.19Å |
| 1035 | P | 74.7 | Confident | 77.1 | Confident | 44 Ų | 44 | 58.1 Ų | 58.1 | 29% | 0.286 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -17 | -172 | 31.8 | -37.1 | 0 | 0 | 0 | 112.8 | G1002 C1012 Y1017 G1018 | G1002-P1035 VanDerWaalsContact CA-C 3.5Å; G1002-P1035 WeakPolarHBondContact CA-O 3.27Å; G1002-P1035 PolarHBondContact N-O 2.82Å; C1012-P1035 HydrophobicContact CB-CB 3.94Å; Y1017-P1035 CarbonylContact C-O 3.51Å; Y1017-P1035 WeakPolarHBondContact CA-O 3.16Å; Y1017-P1035 WeakPolarHBondContact CB-O 3.37Å; G1018-P1035 PolarHBondContact N-O 2.86Å |
| 1036 | V | 81 | Confident | 77.2 | Confident | 73 Ų | 73 | 60.8 Ų | 60.8 | 44% | 0.442 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -52 | 179.7 | -170.1 | 0 | 0 | 0 | 0 | 109.8 | P1001 D1034 | P1001-V1036 HydrophobicContact CB-CG1 3.86Å; P1001-V1036 WeakPolarHBondContact CB-O 3.2Å; D1034-V1036 VanDerWaalsContact C-N 3.27Å; D1034-V1036 PolarHBondContact O-N 3.35Å; D1034-V1036 WeakPolarHBondContact OD1-CA 3.18Å; D1034-V1036 VanDerWaalsContact OD1-CB 3.3Å; D1034-V1036 WeakPolarHBondContact OD1-CB 3.34Å; D1034-V1036 PolarHBondContact OD1-N 3.49Å |
| 1037 | T | 82.6 | Confident | 77.5 | Confident | 78 Ų | 78 | 59.2 Ų | 59.2 | 48% | 0.479 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -30 | -168.9 | 57.9 | 0 | 0 | 0 | 0 | 113.9 | Y1017 D1034 D1039 | Y1017-T1037 VanDerWaalsContact CD2-C 3.47Å; Y1017-T1037 WeakPolarHBondContact CD2-O 3.24Å; Y1017-T1037 VanDerWaalsContact CE2-O 3.3Å; Y1017-T1037 WeakPolarHBondContact CE2-O 3.05Å; D1034-T1037 WeakPolarHBondContact CB-OG1 3.44Å; D1034-T1037 WeakPolarHBondContact OD1-CB 3.41Å; D1034-T1037 PolarHBondContact OD1-N 2.73Å; D1034-T1037 PolarHBondContact OD1-OG1 3.44Å; T1037-D1039 VanDerWaalsContact C-N 3.33Å; T1037-D1039 PolarHBondContact OG1-N 2.85Å |
| 1038 | G | 79.1 | Confident | 77.3 | Confident | 11 Ų | 11 | 59 Ų | 59 | 11% | 0.113 | 33% | 0.331 | C | S | . | . | trans | 85.6 | -2.7 | -170 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y1017 D1034 C1040 | Y1017-G1038 VanDerWaalsContact CD2-N 3.32Å; D1034-G1038 VanDerWaalsContact O-CA 3.29Å; D1034-G1038 WeakPolarHBondContact O-CA 3.03Å; D1034-G1038 PolarHBondContact O-N 3.44Å; G1038-C1040 PolarHBondContact O-N 2.02Å | ||
| 1039 | D | 80.9 | Confident | 77.5 | Confident | 116 Ų | 116 | 62.3 Ų | 62.3 | 62% | 0.62 | 35% | 0.353 | S | S | * | . | trans | -62.5 | 133.1 | 179.1 | -84 | -26.2 | 0 | 0 | 0 | 111.1 | C1033 D1034 T1037 | C1033-D1039 CarbonylContact C-O 3.52Å; C1033-D1039 WeakPolarHBondContact CA-O 3.39Å; D1034-D1039 PolarHBondContact N-O 3.19Å; T1037-D1039 VanDerWaalsContact C-N 3.33Å; T1037-D1039 PolarHBondContact OG1-N 2.85Å | ||
| 1040 | C | 82 | Confident | 78.1 | Confident | 24 Ų | 24 | 59.9 Ų | 59.9 | 16% | 0.162 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 115.5 | -173.4 | -57.4 | 0 | 0 | 0 | 0 | 112 | C1027 G1038 C1042 P1049 C1051 | C1027-C1040 WeakPolarHBondContact CA-SG 3.22Å; C1027-C1040 HydrophobicContact CB-CB 3.83Å; C1027-C1040 WeakPolarHBondContact CB-SG 3.31Å; C1027-C1040 VanDerWaalsContact SG-CA 3.54Å; C1027-C1040 WeakPolarHBondContact SG-CB 3.48Å; C1027-C1040 CovalentContact SG-SG 2.03Å; C1027-C1040 PolarHBondContact SG-SG 3.11Å; G1038-C1040 PolarHBondContact O-N 2.02Å; C1040-C1042 PolarHBondContact O-N 3.25Å; C1040-P1049 PolarHBondContact SG-O 2.03Å; C1040-C1051 WeakPolarHBondContact CB-SG 3.02Å |
| 1041 | E | 79.3 | Confident | 78.9 | Confident | 118 Ų | 118 | 57 Ų | 57 | 55% | 0.551 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 94.9 | 167.4 | -84.2 | -122.9 | 112 | 0 | 0 | 109.5 | E1032 N1043 K1062 | E1032-E1041 PolarHBondContact O-N 3.34Å; E1041-N1043 PolarHBondContact O-N 3.15Å; E1041-K1062 IonicContact OE1-NZ 2.74Å; E1041-K1062 PolarHBondContact OE1-NZ 3Å; E1041-K1062 IonicContact OE2-NZ 3.69Å; E1041-K1062 PolarHBondContact OE2-NZ 2.79Å |
| 1042 | C | 77.8 | Confident | 79.4 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 3% | 0.027 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 125.6 | -178.5 | -56.3 | 0 | 0 | 0 | 0 | 112.3 | C1040 W1046 G1048 C1051 K1062 | C1040-C1042 PolarHBondContact O-N 3.25Å; C1042-W1046 HydrophobicContact CB-CB 4.23Å; C1042-W1046 WeakPolarHBondContact CB-O 3.35Å; C1042-G1048 PolarHBondContact SG-O 3.26Å; C1042-G1048 VanDerWaalsContact SG-O 3.4Å; C1042-C1051 WeakPolarHBondContact CA-SG 3.27Å; C1042-C1051 HydrophobicContact CB-CB 3.85Å; C1042-C1051 WeakPolarHBondContact CB-SG 3.35Å; C1042-C1051 PolarHBondContact N-SG 2.79Å; C1042-C1051 VanDerWaalsContact N-SG 3.43Å; C1042-C1051 WeakPolarHBondContact SG-CA 3.49Å; C1042-C1051 WeakPolarHBondContact SG-CB 3.15Å; C1042-C1051 CovalentContact SG-SG 2.04Å; C1042-C1051 PolarHBondContact SG-SG 2.84Å; C1042-K1062 WeakPolarHBondContact O-CE 3.23Å; C1042-K1062 WeakPolarHBondContact O-CG 3.23Å |
| 1043 | N | 75.1 | Confident | 79.7 | Confident | 76 Ų | 76 | 56.9 Ų | 56.9 | 41% | 0.406 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 157 | 169.7 | -71.3 | -38.2 | 0 | 0 | 0 | 111.1 | G1030 A1031 E1041 G1045 W1046 | G1030-N1043 PolarHBondContact O-ND2 2.95Å; A1031-N1043 PolarHBondContact N-ND2 2.04Å; E1041-N1043 PolarHBondContact O-N 3.15Å; N1043-G1045 PolarHBondContact O-N 2.86Å; N1043-W1046 PolarHBondContact O-N 3.19Å; N1043-W1046 VanDerWaalsContact O-N 3.15Å |
| 1044 | E | 81.6 | Confident | 79.7 | Confident | 75 Ų | 75 | 58.8 Ų | 58.8 | 35% | 0.35 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 127.9 | 175.6 | -58.7 | -147.1 | 103.8 | 0 | 0 | 110.6 | G1061 K1062 K1066 V1081 | E1044-G1061 WeakPolarHBondContact OE1-CA 3.47Å; E1044-K1062 HydrophobicContact CG-CB 4.15Å; E1044-K1062 PolarHBondContact OE1-N 2.79Å; E1044-K1062 VanDerWaalsContact OE1-N 3.08Å; E1044-K1066 IonicContact OE1-NZ 2.75Å; E1044-K1066 PolarHBondContact OE1-NZ 3.48Å; E1044-V1081 HydrophobicContact CB-CB 4.48Å; E1044-V1081 HydrophobicContact CB-CG1 3.77Å |
| 1045 | G | 79.4 | Confident | 79.7 | Confident | 2 Ų | 2 | 56 Ų | 56 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 103.8 | -8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | N1043 C1055 G1061 K1080 | N1043-G1045 PolarHBondContact O-N 2.86Å; G1045-C1055 VanDerWaalsContact CA-SG 3.52Å; G1045-C1055 PolarHBondContact O-N 3.21Å; G1045-C1055 PolarHBondContact O-SG 2.83Å; G1045-C1055 VanDerWaalsContact O-SG 3.32Å; G1045-G1061 PolarHBondContact N-O 3.42Å; G1045-G1061 VanDerWaalsContact N-O 3.17Å; G1045-K1080 VanDerWaalsContact CA-C 3.46Å; G1045-K1080 WeakPolarHBondContact CA-O 3.4Å; G1045-K1080 PolarHBondContact N-O 2.88Å |
| 1046 | W | 80.1 | Confident | 80 | Confident | 70 Ų | 70 | 57.3 Ų | 57.3 | 27% | 0.265 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 156.2 | -179 | -58.8 | 91.5 | 0 | 0 | 0 | 113 | N1029 C1042 N1043 C1051 Q1053 P1054 | N1029-W1046 HydrophobicContact CB-CD2 3.7Å; N1029-W1046 HydrophobicContact CB-CE3 4.08Å; N1029-W1046 HydrophobicContact CB-CG 4.17Å; N1029-W1046 HydrophobicContact CB-CH2 4.2Å; N1029-W1046 HydrophobicContact CB-CZ2 3.82Å; N1029-W1046 HydrophobicContact CB-CZ3 4.32Å; N1029-W1046 VanDerWaalsContact CG-CH2 3.41Å; N1029-W1046 VanDerWaalsContact CG-CZ3 3.48Å; N1029-W1046 WeakPolarHBondContact ND2-CZ3 3.4Å; N1029-W1046 WeakPolarHBondContact OD1-CH2 3.24Å; C1042-W1046 HydrophobicContact CB-CB 4.23Å; C1042-W1046 WeakPolarHBondContact CB-O 3.35Å; N1043-W1046 PolarHBondContact O-N 3.19Å; N1043-W1046 VanDerWaalsContact O-N 3.15Å; W1046-C1051 HydrophobicContact CB-CB 4.32Å; W1046-Q1053 CarbonylContact C-O 3.45Å; W1046-Q1053 WeakPolarHBondContact CA-O 3.28Å; W1046-P1054 HydrophobicContact CE3-CB 3.96Å; W1046-P1054 HydrophobicContact CH2-CB 4.13Å; W1046-P1054 HydrophobicContact CZ3-CB 3.68Å; W1046-P1054 HydrophobicContact CZ3-CG 4.14Å |
| 1047 | Y | 83.5 | Confident | 79.7 | Confident | 102 Ų | 102 | 59.6 Ų | 59.6 | 40% | 0.4 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | -179.9 | 171.3 | 80.4 | -79.7 | 0 | 0 | 0 | 110.9 | C1051 Q1053 P1054 | Y1047-C1051 CarbonylContact O-C 3.46Å; Y1047-C1051 WeakPolarHBondContact O-CA 3.11Å; Y1047-Q1053 HydrophobicContact CD1-CB 3.76Å; Y1047-Q1053 VanDerWaalsContact CD1-O 3.28Å; Y1047-Q1053 WeakPolarHBondContact CD1-O 3.13Å; Y1047-Q1053 HydrophobicContact CD2-CB 4.27Å; Y1047-Q1053 HydrophobicContact CE1-CB 3.44Å; Y1047-Q1053 VanDerWaalsContact CE1-CB 3.44Å; Y1047-Q1053 HydrophobicContact CE2-CB 3.97Å; Y1047-Q1053 HydrophobicContact CE2-CG 4.36Å; Y1047-Q1053 HydrophobicContact CG-CB 4.17Å; Y1047-Q1053 PolarHBondContact N-O 3.27Å; Y1047-Q1053 WeakPolarHBondContact O-CB 3.41Å; Y1047-Q1053 PolarHBondContact O-N 3.04Å; Y1047-Q1053 VanDerWaalsContact O-N 3.11Å; Y1047-Q1053 VanDerWaalsContact O-O 3.14Å; Y1047-P1054 WeakPolarHBondContact CE1-O 3.45Å |
| 1048 | G | 75.7 | Confident | 79.5 | Confident | 24 Ų | 24 | 56.6 Ų | 56.6 | 25% | 0.247 | 32% | 0.315 | C | S | . | . | S | Bend | trans | 94 | 157.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | C1042 A1050 C1051 | C1042-G1048 PolarHBondContact SG-O 3.26Å; C1042-G1048 VanDerWaalsContact SG-O 3.4Å; G1048-A1050 PolarHBondContact O-N 2.69Å; G1048-C1051 PolarHBondContact O-N 3.48Å |
| 1049 | P | 77.6 | Confident | 79.8 | Confident | 122 Ų | 122 | 57.1 Ų | 57.1 | 79% | 0.792 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -23 | -171.1 | 26.5 | -34.8 | 0 | 0 | 0 | 113.8 | C1040 | C1040-P1049 PolarHBondContact SG-O 2.03Š|
| 1050 | A | 79.4 | Confident | 80 | Confident | 27 Ų | 27 | 54.3 Ų | 54.3 | 22% | 0.223 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 11.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T1028 G1048 D1052 | T1028-A1050 PolarHBondContact N-O 3.38Å; T1028-A1050 PolarHBondContact OG1-O 3.48Å; G1048-A1050 PolarHBondContact O-N 2.69Å; A1050-D1052 HydrophobicContact CB-CB 4.34Å; A1050-D1052 PolarHBondContact O-N 3.43Å; A1050-D1052 VanDerWaalsContact O-N 3.16Å |
| 1051 | C | 81.9 | Confident | 79.8 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.007 | 29% | 0.289 | C | S | . | . | S | Bend | trans | 51.5 | 30.8 | -171.6 | -53.3 | 0 | 0 | 0 | 0 | 114.2 | T1028 N1029 A1031 C1040 C1042 W1046 Y1047 G1048 | T1028-C1051 VanDerWaalsContact OG1-C 3.28Å; T1028-C1051 PolarHBondContact OG1-O 2.85Å; N1029-C1051 PolarHBondContact ND2-O 2.94Å; A1031-C1051 HydrophobicContact CB-CB 3.7Å; A1031-C1051 VanDerWaalsContact CB-SG 3.53Å; C1040-C1051 WeakPolarHBondContact CB-SG 3.02Å; C1042-C1051 WeakPolarHBondContact CA-SG 3.27Å; C1042-C1051 HydrophobicContact CB-CB 3.85Å; C1042-C1051 WeakPolarHBondContact CB-SG 3.35Å; C1042-C1051 PolarHBondContact N-SG 2.79Å; C1042-C1051 VanDerWaalsContact N-SG 3.43Å; C1042-C1051 WeakPolarHBondContact SG-CA 3.49Å; C1042-C1051 WeakPolarHBondContact SG-CB 3.15Å; C1042-C1051 CovalentContact SG-SG 2.04Å; C1042-C1051 PolarHBondContact SG-SG 2.84Å; W1046-C1051 HydrophobicContact CB-CB 4.32Å; Y1047-C1051 CarbonylContact O-C 3.46Å; Y1047-C1051 WeakPolarHBondContact O-CA 3.11Å; G1048-C1051 PolarHBondContact O-N 3.48Å |
| 1052 | D | 79.8 | Confident | 79.6 | Confident | 64 Ų | 64 | 51.6 Ų | 51.6 | 34% | 0.342 | 28% | 0.281 | S | S | . | . | trans | -84.4 | -20.1 | -174.4 | 60.1 | -63 | 0 | 0 | 0 | 113.2 | T1028 A1050 | T1028-D1052 VanDerWaalsContact OG1-CA 3.22Å; T1028-D1052 WeakPolarHBondContact OG1-CA 3.03Å; T1028-D1052 PolarHBondContact OG1-N 3.47Å; A1050-D1052 HydrophobicContact CB-CB 4.34Å; A1050-D1052 PolarHBondContact O-N 3.43Å; A1050-D1052 VanDerWaalsContact O-N 3.16Å | ||
| 1053 | Q | 79.7 | Confident | 79.5 | Confident | 85 Ų | 85 | 55.8 Ų | 55.8 | 40% | 0.397 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 119.9 | -177.9 | -56.5 | -63.3 | -51 | 0 | 0 | 110.6 | W1046 Y1047 | W1046-Q1053 CarbonylContact C-O 3.45Å; W1046-Q1053 WeakPolarHBondContact CA-O 3.28Å; Y1047-Q1053 HydrophobicContact CD1-CB 3.76Å; Y1047-Q1053 VanDerWaalsContact CD1-O 3.28Å; Y1047-Q1053 WeakPolarHBondContact CD1-O 3.13Å; Y1047-Q1053 HydrophobicContact CD2-CB 4.27Å; Y1047-Q1053 HydrophobicContact CE1-CB 3.44Å; Y1047-Q1053 VanDerWaalsContact CE1-CB 3.44Å; Y1047-Q1053 HydrophobicContact CE2-CB 3.97Å; Y1047-Q1053 HydrophobicContact CE2-CG 4.36Å; Y1047-Q1053 HydrophobicContact CG-CB 4.17Å; Y1047-Q1053 PolarHBondContact N-O 3.27Å; Y1047-Q1053 WeakPolarHBondContact O-CB 3.41Å; Y1047-Q1053 PolarHBondContact O-N 3.04Å; Y1047-Q1053 VanDerWaalsContact O-N 3.11Å; Y1047-Q1053 VanDerWaalsContact O-O 3.14Å |
| 1054 | P | 81.5 | Confident | 79.7 | Confident | 59 Ų | 59 | 53 Ų | 53 | 38% | 0.383 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 148.5 | 172.7 | 30.6 | -32.8 | 0 | 0 | 0 | 110.1 | W1046 Y1047 K1080 | W1046-P1054 HydrophobicContact CE3-CB 3.96Å; W1046-P1054 HydrophobicContact CH2-CB 4.13Å; W1046-P1054 HydrophobicContact CZ3-CB 3.68Å; W1046-P1054 HydrophobicContact CZ3-CG 4.14Å; Y1047-P1054 WeakPolarHBondContact CE1-O 3.45Å; P1054-K1080 HydrophobicContact CB-CD 4.38Å |
| 1055 | C | 81.9 | Confident | 79.9 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -49.3 | 143.9 | -178.6 | -63.7 | 0 | 0 | 0 | 0 | 113.6 | G1045 C1064 K1080 | G1045-C1055 VanDerWaalsContact CA-SG 3.52Å; G1045-C1055 PolarHBondContact O-N 3.21Å; G1045-C1055 PolarHBondContact O-SG 2.83Å; G1045-C1055 VanDerWaalsContact O-SG 3.32Å; C1055-C1064 WeakPolarHBondContact CA-SG 3.31Å; C1055-C1064 HydrophobicContact CB-CB 3.7Å; C1055-C1064 WeakPolarHBondContact CB-SG 3.03Å; C1055-C1064 WeakPolarHBondContact SG-CA 3.31Å; C1055-C1064 WeakPolarHBondContact SG-CB 3.39Å; C1055-C1064 CovalentContact SG-SG 2.03Å; C1055-C1064 PolarHBondContact SG-SG 3.35Å; C1055-K1080 HydrophobicContact CB-CB 4.05Å; C1055-K1080 HydrophobicContact CB-CD 4.16Å; C1055-K1080 HydrophobicContact CB-CG 4.21Å; C1055-K1080 VanDerWaalsContact O-CD 3.3Å; C1055-K1080 WeakPolarHBondContact O-CD 3.38Å; C1055-K1080 VanDerWaalsContact O-CE 3.27Å; C1055-K1080 WeakPolarHBondContact O-CE 3.46Å; C1055-K1080 PolarHBondContact O-NZ 3.25Å |
| 1056 | S | 80.2 | Confident | 80 | Confident | 72 Ų | 72 | 59.3 Ų | 59.3 | 50% | 0.503 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 145.6 | 175.7 | 56.9 | 0 | 0 | 0 | 0 | 110.9 | G1058 T1059 | S1056-G1058 PolarHBondContact O-N 3.29Å; S1056-T1059 PolarHBondContact N-OG1 3.24Å; S1056-T1059 PolarHBondContact O-N 3.23Å; S1056-T1059 PolarHBondContact O-OG1 2.9Å; S1056-T1059 PolarHBondContact OG-OG1 2.83Å |
| 1057 | D | 73.7 | Confident | 80.1 | Confident | 122 Ų | 122 | 64.3 Ų | 64.3 | 65% | 0.652 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 132.1 | -171 | -68.6 | -19 | 0 | 0 | 0 | 111.6 | K1080 | D1057-K1080 VanDerWaalsContact OD1-CE 3.28Å; D1057-K1080 WeakPolarHBondContact OD1-CE 3.25Å; D1057-K1080 IonicContact OD1-NZ 2.6Å; D1057-K1080 PolarHBondContact OD1-NZ 3.33Å |
| 1058 | G | 78.3 | Confident | 79.8 | Confident | 14 Ų | 14 | 59.9 Ų | 59.9 | 14% | 0.144 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | -1.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | S1056 K1067 C1068 | S1056-G1058 PolarHBondContact O-N 3.29Å; G1058-K1067 WeakPolarHBondContact O-CA 3.37Å; G1058-C1068 PolarHBondContact O-N 2.96Å |
| 1059 | T | 85.9 | Confident | 80 | Confident | 23 Ų | 23 | 65.3 Ų | 65.3 | 14% | 0.141 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 152.9 | 174.9 | 68.8 | 0 | 0 | 0 | 0 | 113.4 | S1056 C1064 K1066 | S1056-T1059 PolarHBondContact N-OG1 3.24Å; S1056-T1059 PolarHBondContact O-N 3.23Å; S1056-T1059 PolarHBondContact O-OG1 2.9Å; S1056-T1059 PolarHBondContact OG-OG1 2.83Å; T1059-C1064 WeakPolarHBondContact CB-O 3.46Å; T1059-K1066 CarbonylContact C-O 3.55Å; T1059-K1066 VanDerWaalsContact CA-O 3.23Å; T1059-K1066 WeakPolarHBondContact CA-O 3.29Å |
| 1060 | Y | 85.1 | Confident | 80 | Confident | 57 Ų | 57 | 59.5 Ų | 59.5 | 22% | 0.224 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 171.2 | -174.4 | 82 | -88.4 | 0 | 0 | 0 | 114.8 | C1064 V1065 K1066 K1067 C1068 K1080 T1082 G1083 | Y1060-C1064 CarbonylContact O-C 3.13Å; Y1060-C1064 WeakPolarHBondContact O-CA 3.36Å; Y1060-V1065 PolarHBondContact O-N 2.8Å; Y1060-K1066 HydrophobicContact CD1-CB 3.49Å; Y1060-K1066 VanDerWaalsContact CD1-CB 3.49Å; Y1060-K1066 HydrophobicContact CD2-CB 4.01Å; Y1060-K1066 HydrophobicContact CD2-CD 3.71Å; Y1060-K1066 HydrophobicContact CD2-CG 4.49Å; Y1060-K1066 HydrophobicContact CE1-CB 3.32Å; Y1060-K1066 HydrophobicContact CE1-CD 4.33Å; Y1060-K1066 HydrophobicContact CE1-CG 4.43Å; Y1060-K1066 HydrophobicContact CE2-CB 3.88Å; Y1060-K1066 HydrophobicContact CE2-CD 3.29Å; Y1060-K1066 HydrophobicContact CE2-CG 4.22Å; Y1060-K1066 HydrophobicContact CG-CB 3.86Å; Y1060-K1066 HydrophobicContact CG-CD 4.42Å; Y1060-K1066 PolarHBondContact N-O 3.04Å; Y1060-K1066 WeakPolarHBondContact O-CB 3.24Å; Y1060-K1066 PolarHBondContact O-N 2.94Å; Y1060-K1067 WeakPolarHBondContact CE1-O 3.3Å; Y1060-C1068 VanDerWaalsContact CD1-SG 3.57Å; Y1060-K1080 CarbonylContact C-O 3.53Å; Y1060-K1080 WeakPolarHBondContact CA-O 3.47Å; Y1060-K1080 WeakPolarHBondContact CB-O 3.03Å; Y1060-T1082 VanDerWaalsContact CE2-C 3.46Å; Y1060-T1082 WeakPolarHBondContact CE2-O 3.22Å; Y1060-G1083 VanDerWaalsContact CD1-CA 3.46Å |
| 1061 | G | 78.4 | Confident | 79.2 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 33% | 0.332 | C | S | . | . | S | Bend | trans | 88.1 | -175.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | E1044 G1045 N1063 C1064 K1080 V1081 | E1044-G1061 WeakPolarHBondContact OE1-CA 3.47Å; G1045-G1061 PolarHBondContact N-O 3.42Å; G1045-G1061 VanDerWaalsContact N-O 3.17Å; G1061-N1063 PolarHBondContact O-N 2.94Å; G1061-C1064 PolarHBondContact O-N 3.44Å; G1061-K1080 PolarHBondContact N-O 2.03Å; G1061-V1081 PolarHBondContact N-O 2.99Å |
| 1062 | K | 75.1 | Confident | 78.7 | Confident | 84 Ų | 84 | 68.5 Ų | 68.5 | 37% | 0.365 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -56.5 | 127.1 | 175.8 | -149.5 | -173.9 | -170.5 | -178.8 | 0 | 109.7 | E1041 C1042 E1044 C1064 | E1041-K1062 IonicContact OE1-NZ 2.74Å; E1041-K1062 PolarHBondContact OE1-NZ 3Å; E1041-K1062 IonicContact OE2-NZ 3.69Å; E1041-K1062 PolarHBondContact OE2-NZ 2.79Å; C1042-K1062 WeakPolarHBondContact O-CE 3.23Å; C1042-K1062 WeakPolarHBondContact O-CG 3.23Å; E1044-K1062 HydrophobicContact CG-CB 4.15Å; E1044-K1062 PolarHBondContact OE1-N 2.79Å; E1044-K1062 VanDerWaalsContact OE1-N 3.08Å; K1062-C1064 PolarHBondContact O-N 3.07Å; K1062-C1064 VanDerWaalsContact O-N 3.1Å |
| 1063 | N | 74.9 | Confident | 78.2 | Confident | 92 Ų | 92 | 67.2 Ų | 67.2 | 49% | 0.492 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | 51.3 | 27.4 | -174.4 | -59.8 | -10 | 0 | 0 | 0 | 114.7 | G1061 V1065 | G1061-N1063 PolarHBondContact O-N 2.94Å; N1063-V1065 VanDerWaalsContact C-N 3.25Å; N1063-V1065 HydrophobicContact CB-CG2 4.24Å; N1063-V1065 WeakPolarHBondContact O-CG2 3.29Å; N1063-V1065 PolarHBondContact O-N 3.41Å; N1063-V1065 VanDerWaalsContact O-N 3.12Å |
| 1064 | C | 81.1 | Confident | 77.6 | Confident | 18 Ų | 18 | 68.8 Ų | 68.8 | 12% | 0.122 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | 59.1 | 24.2 | 171.5 | -47.3 | 0 | 0 | 0 | 0 | 116.2 | C1055 T1059 Y1060 G1061 K1062 K1066 | C1055-C1064 WeakPolarHBondContact CA-SG 3.31Å; C1055-C1064 HydrophobicContact CB-CB 3.7Å; C1055-C1064 WeakPolarHBondContact CB-SG 3.03Å; C1055-C1064 WeakPolarHBondContact SG-CA 3.31Å; C1055-C1064 WeakPolarHBondContact SG-CB 3.39Å; C1055-C1064 CovalentContact SG-SG 2.03Å; C1055-C1064 PolarHBondContact SG-SG 3.35Å; T1059-C1064 WeakPolarHBondContact CB-O 3.46Å; Y1060-C1064 CarbonylContact O-C 3.13Å; Y1060-C1064 WeakPolarHBondContact O-CA 3.36Å; G1061-C1064 PolarHBondContact O-N 3.44Å; K1062-C1064 PolarHBondContact O-N 3.07Å; K1062-C1064 VanDerWaalsContact O-N 3.1Å; C1064-K1066 PolarHBondContact O-N 3.25Å |
| 1065 | V | 83.8 | Confident | 76.8 | Confident | 121 Ų | 121 | 69.5 Ų | 69.5 | 73% | 0.733 | 40% | 0.401 | S | S | * | . | trans | -75.1 | -21 | -170 | -173.8 | 0 | 0 | 0 | 0 | 113.6 | Y1060 N1063 | Y1060-V1065 PolarHBondContact O-N 2.8Å; N1063-V1065 VanDerWaalsContact C-N 3.25Å; N1063-V1065 HydrophobicContact CB-CG2 4.24Å; N1063-V1065 WeakPolarHBondContact O-CG2 3.29Å; N1063-V1065 PolarHBondContact O-N 3.41Å; N1063-V1065 VanDerWaalsContact O-N 3.12Å | ||
| 1066 | K | 81.9 | Confident | 76.4 | Confident | 89 Ų | 89 | 70.3 Ų | 70.3 | 39% | 0.387 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 150.4 | -174.3 | -51.8 | 164.2 | -172.2 | 161.8 | 0 | 110.5 | E1044 T1059 Y1060 C1064 | E1044-K1066 IonicContact OE1-NZ 2.75Å; E1044-K1066 PolarHBondContact OE1-NZ 3.48Å; T1059-K1066 CarbonylContact C-O 3.55Å; T1059-K1066 VanDerWaalsContact CA-O 3.23Å; T1059-K1066 WeakPolarHBondContact CA-O 3.29Å; Y1060-K1066 HydrophobicContact CD1-CB 3.49Å; Y1060-K1066 VanDerWaalsContact CD1-CB 3.49Å; Y1060-K1066 HydrophobicContact CD2-CB 4.01Å; Y1060-K1066 HydrophobicContact CD2-CD 3.71Å; Y1060-K1066 HydrophobicContact CD2-CG 4.49Å; Y1060-K1066 HydrophobicContact CE1-CB 3.32Å; Y1060-K1066 HydrophobicContact CE1-CD 4.33Å; Y1060-K1066 HydrophobicContact CE1-CG 4.43Å; Y1060-K1066 HydrophobicContact CE2-CB 3.88Å; Y1060-K1066 HydrophobicContact CE2-CD 3.29Å; Y1060-K1066 HydrophobicContact CE2-CG 4.22Å; Y1060-K1066 HydrophobicContact CG-CB 3.86Å; Y1060-K1066 HydrophobicContact CG-CD 4.42Å; Y1060-K1066 PolarHBondContact N-O 3.04Å; Y1060-K1066 WeakPolarHBondContact O-CB 3.24Å; Y1060-K1066 PolarHBondContact O-N 2.94Å; C1064-K1066 PolarHBondContact O-N 3.25Å |
| 1067 | K | 82.5 | Confident | 76 | Confident | 175 Ų | 175 | 69 Ų | 69 | 76% | 0.761 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 144.5 | 176.5 | -79.7 | -169.6 | 174.1 | -170.7 | 0 | 112.7 | G1058 Y1060 | G1058-K1067 WeakPolarHBondContact O-CA 3.37Å; Y1060-K1067 WeakPolarHBondContact CE1-O 3.3Å |
| 1068 | C | 76.7 | Confident | 76.4 | Confident | 8 Ų | 8 | 63.4 Ų | 63.4 | 5% | 0.054 | 37% | 0.367 | C | S | . | . | trans | -89.9 | 136.9 | -176 | -54.8 | 0 | 0 | 0 | 0 | 113.4 | G1058 Y1060 C1070 A1071 C1078 | G1058-C1068 PolarHBondContact O-N 2.96Å; Y1060-C1068 VanDerWaalsContact CD1-SG 3.57Å; C1068-C1070 VanDerWaalsContact C-N 3.27Å; C1068-C1070 PolarHBondContact O-N 3.46Å; C1068-A1071 WeakPolarHBondContact O-CB 3.05Å; C1068-A1071 PolarHBondContact O-N 2.65Å; C1068-C1078 HydrophobicContact CB-CB 3.52Å; C1068-C1078 WeakPolarHBondContact CB-SG 3.05Å; C1068-C1078 WeakPolarHBondContact SG-CB 3.33Å; C1068-C1078 CovalentContact SG-SG 2.02Å; C1068-C1078 PolarHBondContact SG-SG 3.04Å | ||
| 1069 | N | 81.1 | Confident | 76.3 | Confident | 138 Ų | 138 | 64.8 Ų | 64.8 | 74% | 0.738 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -64.2 | -24.6 | -179.8 | -88.3 | 21.1 | 0 | 0 | 0 | 114.7 | A1071 | N1069-A1071 VanDerWaalsContact C-N 3.32Š|
| 1070 | C | 77.2 | Confident | 76 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.007 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -84.7 | 3.8 | 178.2 | 36.6 | 0 | 0 | 0 | 0 | 114.4 | C1068 D1072 V1073 V1076 C1085 | C1068-C1070 VanDerWaalsContact C-N 3.27Å; C1068-C1070 PolarHBondContact O-N 3.46Å; C1070-D1072 PolarHBondContact O-N 2.67Å; C1070-V1073 PolarHBondContact O-N 2.02Å; C1070-V1076 HydrophobicContact CB-CB 4.42Å; C1070-V1076 HydrophobicContact CB-CG1 3.74Å; C1070-C1085 HydrophobicContact CB-CB 3.78Å; C1070-C1085 WeakPolarHBondContact CB-SG 3.35Å; C1070-C1085 WeakPolarHBondContact SG-CA 3Å; C1070-C1085 WeakPolarHBondContact SG-CB 3.4Å; C1070-C1085 CovalentContact SG-SG 2.03Å; C1070-C1085 PolarHBondContact SG-SG 3.14Å |
| 1071 | A | 62.5 | Low | 75.6 | Confident | 63 Ų | 63 | 66.8 Ų | 66.8 | 52% | 0.521 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -58 | -23 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | C1068 N1069 | C1068-A1071 WeakPolarHBondContact O-CB 3.05Å; C1068-A1071 PolarHBondContact O-N 2.65Å; N1069-A1071 VanDerWaalsContact C-N 3.32Å |
| 1072 | D | 71.8 | Confident | 75.7 | Confident | 154 Ų | 154 | 70.5 Ų | 70.5 | 82% | 0.824 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -85.5 | -3.6 | 177.3 | -63.1 | -40.1 | 0 | 0 | 0 | 114.1 | C1070 P1074 | C1070-D1072 PolarHBondContact O-N 2.67Å; D1072-P1074 WeakPolarHBondContact O-CD 3.42Å |
| 1073 | V | 68.8 | Low | 75.9 | Confident | 36 Ų | 36 | 67 Ų | 67 | 22% | 0.218 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -100.5 | 109.2 | -177 | -170.5 | 0 | 0 | 0 | 0 | 110.8 | C1070 G1075 V1076 | C1070-V1073 PolarHBondContact O-N 2.02Å; V1073-G1075 PolarHBondContact O-N 2.89Å; V1073-V1076 HydrophobicContact CB-CB 4.15Å; V1073-V1076 HydrophobicContact CB-CG2 3.91Å; V1073-V1076 HydrophobicContact CG1-CB 4.34Å; V1073-V1076 HydrophobicContact CG1-CG2 3.55Å; V1073-V1076 PolarHBondContact O-N 3.47Å; V1073-V1076 VanDerWaalsContact O-N 3.1Å |
| 1074 | P | 67.2 | Low | 76.2 | Confident | 119 Ų | 119 | 71.7 Ų | 71.7 | 77% | 0.773 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 125.6 | -173.5 | -26.3 | 35.6 | 0 | 0 | 0 | 113.4 | D1072 | D1072-P1074 WeakPolarHBondContact O-CD 3.42Š|
| 1075 | G | 65.8 | Low | 76.1 | Confident | 74 Ų | 74 | 71.6 Ų | 71.6 | 76% | 0.763 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.2 | 4.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | V1073 | V1073-G1075 PolarHBondContact O-N 2.89Š|
| 1076 | V | 72.3 | Confident | 75.8 | Confident | 17 Ų | 17 | 68.9 Ų | 68.9 | 10% | 0.103 | 39% | 0.386 | C | S | . | . | trans | -95.6 | 128.3 | 167.3 | -177.5 | 0 | 0 | 0 | 0 | 108.1 | C1070 V1073 C1085 P1088 C1096 | C1070-V1076 HydrophobicContact CB-CB 4.42Å; C1070-V1076 HydrophobicContact CB-CG1 3.74Å; V1073-V1076 HydrophobicContact CB-CB 4.15Å; V1073-V1076 HydrophobicContact CB-CG2 3.91Å; V1073-V1076 HydrophobicContact CG1-CB 4.34Å; V1073-V1076 HydrophobicContact CG1-CG2 3.55Å; V1073-V1076 PolarHBondContact O-N 3.47Å; V1073-V1076 VanDerWaalsContact O-N 3.1Å; V1076-C1085 HydrophobicContact CG1-CB 4.46Å; V1076-P1088 HydrophobicContact CG2-CG 4.26Å; V1076-C1096 HydrophobicContact CG1-CB 3.86Å; V1076-C1096 HydrophobicContact CG2-CB 3.9Å | ||
| 1077 | S | 72.1 | Confident | 75.7 | Confident | 45 Ų | 45 | 65.2 Ų | 65.2 | 32% | 0.315 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 171.2 | 169.7 | -164.8 | 0 | 0 | 0 | 0 | 109.9 | I1086 | S1077-I1086 PolarHBondContact O-N 3.31Å |
| 1078 | C | 81.7 | Confident | 75.2 | Confident | 4 Ų | 4 | 58.9 Ų | 58.9 | 3% | 0.027 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 153.2 | 172.5 | 54.1 | 0 | 0 | 0 | 0 | 111 | C1068 K1080 R1084 | C1068-C1078 HydrophobicContact CB-CB 3.52Å; C1068-C1078 WeakPolarHBondContact CB-SG 3.05Å; C1068-C1078 WeakPolarHBondContact SG-CB 3.33Å; C1068-C1078 CovalentContact SG-SG 2.02Å; C1068-C1078 PolarHBondContact SG-SG 3.04Å; C1078-K1080 PolarHBondContact O-N 2.85Å; C1078-R1084 CarbonylContact C-O 3.51Å; C1078-R1084 WeakPolarHBondContact CA-O 3.03Å |
| 1079 | D | 77.3 | Confident | 75.3 | Confident | 43 Ų | 43 | 61.1 Ų | 61.1 | 23% | 0.23 | 36% | 0.363 | C | S | . | . | trans | -58.6 | 119 | 167.8 | 175.2 | 5 | 0 | 0 | 0 | 109.1 | V1081 T1082 G1083 R1084 I1086 | D1079-V1081 PolarHBondContact O-N 2.9Å; D1079-V1081 WeakPolarHBondContact OD1-CA 3.39Å; D1079-V1081 VanDerWaalsContact OD1-CB 3.26Å; D1079-V1081 WeakPolarHBondContact OD1-CB 3.32Å; D1079-V1081 WeakPolarHBondContact OD1-CG2 3.33Å; D1079-V1081 PolarHBondContact OD1-N 2.7Å; D1079-T1082 PolarHBondContact OD1-N 3.31Å; D1079-T1082 VanDerWaalsContact OD2-CB 3.27Å; D1079-T1082 WeakPolarHBondContact OD2-CB 2.99Å; D1079-T1082 VanDerWaalsContact OD2-CG2 3.23Å; D1079-T1082 WeakPolarHBondContact OD2-CG2 3.44Å; D1079-T1082 PolarHBondContact OD2-N 3.29Å; D1079-T1082 PolarHBondContact OD2-OG1 3.14Å; D1079-G1083 WeakPolarHBondContact O-CA 3.44Å; D1079-G1083 PolarHBondContact O-N 3.01Å; D1079-R1084 HydrophobicContact CB-CB 4.43Å; D1079-R1084 PolarHBondContact N-O 3.36Å; D1079-I1086 HydrophobicContact CB-CD1 4.03Å; D1079-I1086 HydrophobicContact CB-CG1 4.19Å | ||
| 1080 | K | 78.4 | Confident | 75.3 | Confident | 55 Ų | 55 | 54.7 Ų | 54.7 | 24% | 0.239 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -24 | -177.9 | -59.1 | -174.6 | 178 | -159.7 | 0 | 111.2 | G1045 P1054 C1055 D1057 Y1060 G1061 C1078 | G1045-K1080 VanDerWaalsContact CA-C 3.46Å; G1045-K1080 WeakPolarHBondContact CA-O 3.4Å; G1045-K1080 PolarHBondContact N-O 2.88Å; P1054-K1080 HydrophobicContact CB-CD 4.38Å; C1055-K1080 HydrophobicContact CB-CB 4.05Å; C1055-K1080 HydrophobicContact CB-CD 4.16Å; C1055-K1080 HydrophobicContact CB-CG 4.21Å; C1055-K1080 VanDerWaalsContact O-CD 3.3Å; C1055-K1080 WeakPolarHBondContact O-CD 3.38Å; C1055-K1080 VanDerWaalsContact O-CE 3.27Å; C1055-K1080 WeakPolarHBondContact O-CE 3.46Å; C1055-K1080 PolarHBondContact O-NZ 3.25Å; D1057-K1080 VanDerWaalsContact OD1-CE 3.28Å; D1057-K1080 WeakPolarHBondContact OD1-CE 3.25Å; D1057-K1080 IonicContact OD1-NZ 2.6Å; D1057-K1080 PolarHBondContact OD1-NZ 3.33Å; Y1060-K1080 CarbonylContact C-O 3.53Å; Y1060-K1080 WeakPolarHBondContact CA-O 3.47Å; Y1060-K1080 WeakPolarHBondContact CB-O 3.03Å; G1061-K1080 PolarHBondContact N-O 2.03Å; C1078-K1080 PolarHBondContact O-N 2.85Å |
| 1081 | V | 77.3 | Confident | 75.6 | Confident | 66 Ų | 66 | 58.7 Ų | 58.7 | 40% | 0.4 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -67.9 | 172.5 | -167.2 | 0 | 0 | 0 | 0 | 109.7 | E1044 G1061 D1079 | E1044-V1081 HydrophobicContact CB-CB 4.48Å; E1044-V1081 HydrophobicContact CB-CG1 3.77Å; G1061-V1081 PolarHBondContact N-O 2.99Å; D1079-V1081 PolarHBondContact O-N 2.9Å; D1079-V1081 WeakPolarHBondContact OD1-CA 3.39Å; D1079-V1081 VanDerWaalsContact OD1-CB 3.26Å; D1079-V1081 WeakPolarHBondContact OD1-CB 3.32Å; D1079-V1081 WeakPolarHBondContact OD1-CG2 3.33Å; D1079-V1081 PolarHBondContact OD1-N 2.7Å |
| 1082 | T | 80.3 | Confident | 76.5 | Confident | 78 Ų | 78 | 57.5 Ų | 57.5 | 48% | 0.479 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -14 | -166.5 | 70.7 | 0 | 0 | 0 | 0 | 115.9 | Y1060 D1079 R1084 | Y1060-T1082 VanDerWaalsContact CE2-C 3.46Å; Y1060-T1082 WeakPolarHBondContact CE2-O 3.22Å; D1079-T1082 PolarHBondContact OD1-N 3.31Å; D1079-T1082 VanDerWaalsContact OD2-CB 3.27Å; D1079-T1082 WeakPolarHBondContact OD2-CB 2.99Å; D1079-T1082 VanDerWaalsContact OD2-CG2 3.23Å; D1079-T1082 WeakPolarHBondContact OD2-CG2 3.44Å; D1079-T1082 PolarHBondContact OD2-N 3.29Å; D1079-T1082 PolarHBondContact OD2-OG1 3.14Å; T1082-R1084 PolarHBondContact O-N 2.79Å; T1082-R1084 WeakPolarHBondContact OG1-CB 3.37Å; T1082-R1084 PolarHBondContact OG1-N 2.88Å |
| 1083 | G | 78.5 | Confident | 76.9 | Confident | 11 Ų | 11 | 51.2 Ų | 51.2 | 11% | 0.113 | 30% | 0.302 | C | S | . | . | trans | 75.9 | 0.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y1060 D1079 C1085 | Y1060-G1083 VanDerWaalsContact CD1-CA 3.46Å; D1079-G1083 WeakPolarHBondContact O-CA 3.44Å; D1079-G1083 PolarHBondContact O-N 3.01Å; G1083-C1085 PolarHBondContact O-N 2.99Å | ||
| 1084 | R | 81.5 | Confident | 77.2 | Confident | 191 Ų | 191 | 57.1 Ų | 57.1 | 72% | 0.721 | 33% | 0.332 | S | S | * | . | trans | -62.2 | 133.1 | 174.7 | -179 | 179.1 | 176.6 | -177.5 | -2.5 | 109.8 | C1078 D1079 T1082 I1086 | C1078-R1084 CarbonylContact C-O 3.51Å; C1078-R1084 WeakPolarHBondContact CA-O 3.03Å; D1079-R1084 HydrophobicContact CB-CB 4.43Å; D1079-R1084 PolarHBondContact N-O 3.36Å; T1082-R1084 PolarHBondContact O-N 2.79Å; T1082-R1084 WeakPolarHBondContact OG1-CB 3.37Å; T1082-R1084 PolarHBondContact OG1-N 2.88Å; R1084-I1086 PolarHBondContact O-N 2.04Å | ||
| 1085 | C | 80.2 | Confident | 77.8 | Confident | 15 Ų | 15 | 56.4 Ų | 56.4 | 10% | 0.101 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 119.8 | 174.2 | -62.3 | 0 | 0 | 0 | 0 | 110.6 | C1070 V1076 G1083 C1087 N1094 | C1070-C1085 HydrophobicContact CB-CB 3.78Å; C1070-C1085 WeakPolarHBondContact CB-SG 3.35Å; C1070-C1085 WeakPolarHBondContact SG-CA 3Å; C1070-C1085 WeakPolarHBondContact SG-CB 3.4Å; C1070-C1085 CovalentContact SG-SG 2.03Å; C1070-C1085 PolarHBondContact SG-SG 3.14Å; V1076-C1085 HydrophobicContact CG1-CB 4.46Å; G1083-C1085 PolarHBondContact O-N 2.99Å; C1085-C1087 PolarHBondContact O-N 3.41Å; C1085-N1094 WeakPolarHBondContact CB-O 3.02Å |
| 1086 | I | 76.9 | Confident | 78.4 | Confident | 65 Ų | 65 | 52.9 Ų | 52.9 | 33% | 0.333 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 98.6 | 176.5 | -66.8 | 173.9 | 0 | 0 | 0 | 106.1 | S1077 D1079 R1084 P1088 E1107 | S1077-I1086 PolarHBondContact O-N 3.31Å; D1079-I1086 HydrophobicContact CB-CD1 4.03Å; D1079-I1086 HydrophobicContact CB-CG1 4.19Å; R1084-I1086 PolarHBondContact O-N 2.04Å; I1086-P1088 VanDerWaalsContact O-CD 3.25Å; I1086-P1088 WeakPolarHBondContact O-CD 3.41Å; I1086-E1107 HydrophobicContact CG2-CG 4.29Å |
| 1087 | C | 79.5 | Confident | 78.8 | Confident | 12 Ų | 12 | 55.4 Ų | 55.4 | 8% | 0.081 | 30% | 0.301 | C | S | . | . | trans | -72.3 | 111.7 | -177.5 | -58.7 | 0 | 0 | 0 | 0 | 109.7 | C1085 R1091 G1093 C1096 E1107 G1108 | C1085-C1087 PolarHBondContact O-N 3.41Å; C1087-R1091 HydrophobicContact CB-CB 4.42Å; C1087-R1091 VanDerWaalsContact CB-O 3.32Å; C1087-R1091 WeakPolarHBondContact CB-O 3.49Å; C1087-G1093 PolarHBondContact SG-O 3.42Å; C1087-G1093 VanDerWaalsContact SG-O 3.33Å; C1087-C1096 WeakPolarHBondContact CA-SG 3.03Å; C1087-C1096 HydrophobicContact CB-CB 3.57Å; C1087-C1096 WeakPolarHBondContact CB-SG 3.11Å; C1087-C1096 PolarHBondContact N-SG 3.5Å; C1087-C1096 VanDerWaalsContact N-SG 3.4Å; C1087-C1096 WeakPolarHBondContact SG-CA 3.02Å; C1087-C1096 WeakPolarHBondContact SG-CB 3.05Å; C1087-C1096 CovalentContact SG-SG 2.04Å; C1087-C1096 PolarHBondContact SG-SG 2.9Å; C1087-E1107 VanDerWaalsContact O-CG 3.26Å; C1087-E1107 WeakPolarHBondContact O-CG 3.38Å; C1087-G1108 PolarHBondContact O-N 2.82Å | ||
| 1088 | P | 73.4 | Confident | 79.3 | Confident | 41 Ų | 41 | 59 Ų | 59 | 27% | 0.266 | 31% | 0.313 | S | S | . | . | trans | -57.8 | 147.8 | -177 | 25.8 | -34.7 | 0 | 0 | 0 | 109.2 | V1076 I1086 G1090 R1091 | V1076-P1088 HydrophobicContact CG2-CG 4.26Å; I1086-P1088 VanDerWaalsContact O-CD 3.25Å; I1086-P1088 WeakPolarHBondContact O-CD 3.41Å; P1088-G1090 PolarHBondContact O-N 2.8Å; P1088-R1091 PolarHBondContact O-N 3.04Å; P1088-R1091 VanDerWaalsContact O-N 3.08Å | ||
| 1089 | P | 78.6 | Confident | 79.1 | Confident | 56 Ų | 56 | 65.1 Ų | 65.1 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 135.3 | -170.1 | -28.8 | 35.2 | 0 | 0 | 0 | 112.5 | G1106 E1107 I1124 | P1089-G1106 WeakPolarHBondContact CA-O 3.05Å; P1089-E1107 HydrophobicContact CG-CB 4.45Å; P1089-I1124 HydrophobicContact CB-CG2 3.92Å; P1089-I1124 WeakPolarHBondContact CB-O 3.36Å; P1089-I1124 WeakPolarHBondContact O-CG1 3.31Å; P1089-I1124 WeakPolarHBondContact O-CG2 3.49Å |
| 1090 | G | 80.7 | Confident | 79.3 | Confident | 3 Ų | 3 | 63.9 Ų | 63.9 | 3% | 0.031 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.8 | -5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | P1088 L1099 C1100 G1106 P1123 | P1088-G1090 PolarHBondContact O-N 2.8Å; G1090-L1099 WeakPolarHBondContact O-CA 3.47Å; G1090-C1100 WeakPolarHBondContact CA-SG 3.39Å; G1090-C1100 PolarHBondContact O-N 3.3Å; G1090-G1106 PolarHBondContact N-O 3.29Å; G1090-P1123 WeakPolarHBondContact CA-O 3.05Å; G1090-P1123 PolarHBondContact N-O 3Å; G1090-P1123 VanDerWaalsContact N-O 3.15Å |
| 1091 | R | 82.9 | Confident | 79.5 | Confident | 85 Ų | 85 | 64.8 Ų | 64.8 | 32% | 0.321 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 154.5 | 178.3 | -66.7 | -177.8 | 121.6 | 165.2 | -1 | 114.1 | C1087 P1088 C1096 E1098 L1099 G1108 C1109 | C1087-R1091 HydrophobicContact CB-CB 4.42Å; C1087-R1091 VanDerWaalsContact CB-O 3.32Å; C1087-R1091 WeakPolarHBondContact CB-O 3.49Å; P1088-R1091 PolarHBondContact O-N 3.04Å; P1088-R1091 VanDerWaalsContact O-N 3.08Å; R1091-C1096 VanDerWaalsContact CD-O 3.3Å; R1091-C1096 WeakPolarHBondContact CD-O 3.35Å; R1091-C1096 PolarHBondContact NE-O 2.04Å; R1091-E1098 CarbonylContact C-O 3.35Å; R1091-E1098 WeakPolarHBondContact CA-O 3.38Å; R1091-E1098 WeakPolarHBondContact CB-O 3.41Å; R1091-L1099 HydrophobicContact CG-CD2 4.42Å; R1091-G1108 CarbonylContact O-C 3.27Å; R1091-G1108 VanDerWaalsContact O-CA 3.32Å; R1091-G1108 WeakPolarHBondContact O-CA 3.3Å; R1091-C1109 VanDerWaalsContact C-SG 3.57Å; R1091-C1109 PolarHBondContact O-SG 3.4Å |
| 1092 | T | 82.4 | Confident | 79.5 | Confident | 38 Ų | 38 | 67.7 Ų | 67.7 | 23% | 0.233 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | -173.4 | 177.6 | -162.1 | 0 | 0 | 0 | 0 | 111.9 | C1096 S1097 E1098 G1108 | T1092-C1096 CarbonylContact O-C 3.33Å; T1092-C1096 VanDerWaalsContact O-CA 3.3Å; T1092-C1096 WeakPolarHBondContact O-CA 3.41Å; T1092-S1097 PolarHBondContact O-N 3.09Å; T1092-E1098 HydrophobicContact CG2-CB 4.07Å; T1092-E1098 PolarHBondContact N-O 2.99Å; T1092-E1098 PolarHBondContact O-N 3.26Å; T1092-E1098 VanDerWaalsContact O-N 3.07Å; T1092-G1108 PolarHBondContact OG1-O 2.76Å; T1092-G1108 VanDerWaalsContact OG1-O 3.11Å |
| 1093 | G | 78.6 | Confident | 79.5 | Confident | 22 Ų | 22 | 65.4 Ų | 65.4 | 23% | 0.227 | 37% | 0.366 | C | S | . | . | S | Bend | trans | 84 | 159.6 | -168.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | C1087 E1095 C1096 | C1087-G1093 PolarHBondContact SG-O 3.42Å; C1087-G1093 VanDerWaalsContact SG-O 3.33Å; G1093-E1095 PolarHBondContact O-N 3.35Å; G1093-C1096 PolarHBondContact O-N 3.27Å |
| 1094 | N | 75.7 | Confident | 79.7 | Confident | 159 Ų | 159 | 69.2 Ų | 69.2 | 85% | 0.85 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -28 | -172.3 | -68 | -11.7 | 0 | 0 | 0 | 114.2 | C1085 | C1085-N1094 WeakPolarHBondContact CB-O 3.02Š|
| 1095 | E | 79.4 | Confident | 79.9 | Confident | 104 Ų | 104 | 62.7 Ų | 62.7 | 49% | 0.486 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 8.1 | 178 | -66.2 | 166 | -173.2 | 0 | 0 | 111.8 | G1093 S1097 | G1093-E1095 PolarHBondContact O-N 3.35Å; E1095-S1097 PolarHBondContact O-N 2.79Å |
| 1096 | C | 78.3 | Confident | 79.6 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 35% | 0.352 | C | S | . | . | S | Bend | trans | 58.2 | 29.3 | -179.3 | -49.7 | 0 | 0 | 0 | 0 | 114.3 | V1076 C1087 R1091 T1092 G1093 | V1076-C1096 HydrophobicContact CG1-CB 3.86Å; V1076-C1096 HydrophobicContact CG2-CB 3.9Å; C1087-C1096 WeakPolarHBondContact CA-SG 3.03Å; C1087-C1096 HydrophobicContact CB-CB 3.57Å; C1087-C1096 WeakPolarHBondContact CB-SG 3.11Å; C1087-C1096 PolarHBondContact N-SG 3.5Å; C1087-C1096 VanDerWaalsContact N-SG 3.4Å; C1087-C1096 WeakPolarHBondContact SG-CA 3.02Å; C1087-C1096 WeakPolarHBondContact SG-CB 3.05Å; C1087-C1096 CovalentContact SG-SG 2.04Å; C1087-C1096 PolarHBondContact SG-SG 2.9Å; R1091-C1096 VanDerWaalsContact CD-O 3.3Å; R1091-C1096 WeakPolarHBondContact CD-O 3.35Å; R1091-C1096 PolarHBondContact NE-O 2.04Å; T1092-C1096 CarbonylContact O-C 3.33Å; T1092-C1096 VanDerWaalsContact O-CA 3.3Å; T1092-C1096 WeakPolarHBondContact O-CA 3.41Å; G1093-C1096 PolarHBondContact O-N 3.27Å |
| 1097 | S | 81.2 | Confident | 79.6 | Confident | 71 Ų | 71 | 64.4 Ų | 64.4 | 50% | 0.497 | 36% | 0.361 | S | S | . | . | trans | -87.3 | -21.3 | -175.2 | 44 | 0 | 0 | 0 | 0 | 113.8 | T1092 E1095 | T1092-S1097 PolarHBondContact O-N 3.09Å; E1095-S1097 PolarHBondContact O-N 2.79Å | ||
| 1098 | E | 82 | Confident | 79.5 | Confident | 121 Ų | 121 | 65.2 Ų | 65.2 | 57% | 0.565 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 156.6 | 179.8 | -60.7 | -178.2 | -179.6 | 0 | 0 | 112 | R1091 T1092 | R1091-E1098 CarbonylContact C-O 3.35Å; R1091-E1098 WeakPolarHBondContact CA-O 3.38Å; R1091-E1098 WeakPolarHBondContact CB-O 3.41Å; T1092-E1098 HydrophobicContact CG2-CB 4.07Å; T1092-E1098 PolarHBondContact N-O 2.99Å; T1092-E1098 PolarHBondContact O-N 3.26Å; T1092-E1098 VanDerWaalsContact O-N 3.07Å |
| 1099 | L | 79 | Confident | 80 | Confident | 131 Ų | 131 | 63.9 Ų | 63.9 | 69% | 0.686 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 155.7 | 172.9 | -69.4 | 171.4 | 0 | 0 | 0 | 110.8 | G1090 R1091 | G1090-L1099 WeakPolarHBondContact O-CA 3.47Å; R1091-L1099 HydrophobicContact CG-CD2 4.42Å |
| 1100 | C | 80.8 | Confident | 80 | Confident | 17 Ų | 17 | 65.6 Ų | 65.6 | 12% | 0.115 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 134.2 | 177.2 | -62.9 | 0 | 0 | 0 | 0 | 113.2 | G1090 F1104 C1109 P1123 | G1090-C1100 WeakPolarHBondContact CA-SG 3.39Å; G1090-C1100 PolarHBondContact O-N 3.3Å; C1100-F1104 WeakPolarHBondContact CB-O 3.28Å; C1100-C1109 WeakPolarHBondContact CA-SG 3.35Å; C1100-C1109 HydrophobicContact CB-CB 3.75Å; C1100-C1109 WeakPolarHBondContact CB-SG 3.48Å; C1100-C1109 VanDerWaalsContact SG-CA 3.57Å; C1100-C1109 WeakPolarHBondContact SG-CB 3.19Å; C1100-C1109 CovalentContact SG-SG 2.02Å; C1100-C1109 PolarHBondContact SG-SG 3.01Å; C1100-P1123 HydrophobicContact CB-CB 3.77Å |
| 1101 | P | 81.8 | Confident | 80 | Confident | 75 Ų | 75 | 70.7 Ų | 70.7 | 49% | 0.487 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -59 | 147.9 | 168.9 | -22.7 | 33.4 | 0 | 0 | 0 | 111.8 | G1103 F1104 | P1101-G1103 PolarHBondContact O-N 2.04Å; P1101-F1104 HydrophobicContact CB-CD2 4.12Å; P1101-F1104 PolarHBondContact O-N 2.8Å |
| 1102 | S | 79 | Confident | 79.9 | Confident | 126 Ų | 126 | 71.1 Ų | 71.1 | 88% | 0.881 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 124.1 | 177.2 | -53 | 0 | 0 | 0 | 0 | 111.2 | ||
| 1103 | G | 80.1 | Confident | 79.7 | Confident | 31 Ų | 31 | 70.8 Ų | 70.8 | 32% | 0.32 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 102.1 | -5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | P1101 T1112 C1113 | P1101-G1103 PolarHBondContact O-N 2.04Å; G1103-T1112 CarbonylContact O-C 3.46Å; G1103-T1112 WeakPolarHBondContact O-CA 3.32Å; G1103-T1112 VanDerWaalsContact O-CG2 3.28Å; G1103-T1112 WeakPolarHBondContact O-CG2 3.31Å; G1103-C1113 VanDerWaalsContact CA-SG 3.51Å; G1103-C1113 PolarHBondContact O-N 2.03Å |
| 1104 | F | 82.7 | Confident | 79.7 | Confident | 90 Ų | 90 | 73.5 Ų | 73.5 | 40% | 0.395 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 151.1 | 178.9 | -64.2 | -93.9 | 0 | 0 | 0 | 112.5 | C1100 P1101 C1109 R1111 T1112 | C1100-F1104 WeakPolarHBondContact CB-O 3.28Å; P1101-F1104 HydrophobicContact CB-CD2 4.12Å; P1101-F1104 PolarHBondContact O-N 2.8Å; F1104-C1109 HydrophobicContact CB-CB 4.22Å; F1104-R1111 CarbonylContact C-O 3.49Å; F1104-R1111 VanDerWaalsContact CA-O 3.27Å; F1104-R1111 WeakPolarHBondContact CA-O 3.47Å; F1104-T1112 HydrophobicContact CE1-CG2 4.34Å |
| 1105 | W | 85.8 | Confident | 80 | Confident | 55 Ų | 55 | 67 Ų | 67 | 21% | 0.208 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 175.5 | -177.4 | 71.3 | -83.9 | 0 | 0 | 0 | 112.9 | C1109 S1110 R1111 T1112 C1121 P1123 T1125 G1126 | W1105-C1109 CarbonylContact O-C 3.56Å; W1105-C1109 VanDerWaalsContact O-C 3.29Å; W1105-C1109 WeakPolarHBondContact O-CA 3.13Å; W1105-S1110 PolarHBondContact O-N 3.4Å; W1105-R1111 HydrophobicContact CD2-CB 3.92Å; W1105-R1111 HydrophobicContact CG-CB 4.16Å; W1105-R1111 HydrophobicContact CZ2-CB 4.1Å; W1105-R1111 HydrophobicContact CZ2-CG 4.5Å; W1105-R1111 PolarHBondContact N-O 3.28Å; W1105-R1111 PolarHBondContact O-N 2.64Å; W1105-T1112 PolarHBondContact NE1-O 2.81Å; W1105-C1121 VanDerWaalsContact CD1-SG 3.51Å; W1105-P1123 CarbonylContact C-O 3.15Å; W1105-P1123 WeakPolarHBondContact CA-O 3.21Å; W1105-P1123 WeakPolarHBondContact CB-O 3.39Å; W1105-T1125 WeakPolarHBondContact CZ3-O 3.3Å; W1105-G1126 VanDerWaalsContact CE3-N 3.26Å |
| 1106 | G | 73.3 | Confident | 79.9 | Confident | 4 Ų | 4 | 66.2 Ų | 66.2 | 4% | 0.041 | 39% | 0.391 | C | S | . | . | S | Bend | trans | 85.4 | -172.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | P1089 G1090 G1108 C1109 P1123 | P1089-G1106 WeakPolarHBondContact CA-O 3.05Å; G1090-G1106 PolarHBondContact N-O 3.29Å; G1106-G1108 PolarHBondContact O-N 2.63Å; G1106-C1109 PolarHBondContact O-N 3.47Å; G1106-P1123 PolarHBondContact N-O 3.28Å |
| 1107 | E | 76.4 | Confident | 79.5 | Confident | 112 Ų | 112 | 74 Ų | 74 | 52% | 0.523 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -60.1 | 128.7 | 178.8 | -161 | -172.7 | 122.1 | 0 | 0 | 110.7 | I1086 C1087 P1089 C1109 S1110 | I1086-E1107 HydrophobicContact CG2-CG 4.29Å; C1087-E1107 VanDerWaalsContact O-CG 3.26Å; C1087-E1107 WeakPolarHBondContact O-CG 3.38Å; P1089-E1107 HydrophobicContact CG-CB 4.45Å; E1107-C1109 PolarHBondContact O-N 3.13Å; E1107-S1110 WeakPolarHBondContact O-CB 3.3Å; E1107-S1110 PolarHBondContact O-N 3.05Å; E1107-S1110 VanDerWaalsContact O-N 3.11Å; E1107-S1110 PolarHBondContact O-OG 2.69Å |
| 1108 | G | 77.2 | Confident | 78.9 | Confident | 29 Ų | 29 | 74.1 Ų | 74.1 | 30% | 0.299 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | 59.6 | 10.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | C1087 R1091 T1092 G1106 S1110 | C1087-G1108 PolarHBondContact O-N 2.82Å; R1091-G1108 CarbonylContact O-C 3.27Å; R1091-G1108 VanDerWaalsContact O-CA 3.32Å; R1091-G1108 WeakPolarHBondContact O-CA 3.3Å; T1092-G1108 PolarHBondContact OG1-O 2.76Å; T1092-G1108 VanDerWaalsContact OG1-O 3.11Å; G1106-G1108 PolarHBondContact O-N 2.63Å; G1108-S1110 VanDerWaalsContact C-N 3.27Å; G1108-S1110 PolarHBondContact O-N 3Å |
| 1109 | C | 83.7 | Confident | 78.4 | Confident | 12 Ų | 12 | 69 Ų | 69 | 8% | 0.081 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | 61.5 | 30.9 | -170.2 | -48.2 | 0 | 0 | 0 | 0 | 114.1 | R1091 C1100 F1104 W1105 G1106 E1107 R1111 | R1091-C1109 VanDerWaalsContact C-SG 3.57Å; R1091-C1109 PolarHBondContact O-SG 3.4Å; C1100-C1109 WeakPolarHBondContact CA-SG 3.35Å; C1100-C1109 HydrophobicContact CB-CB 3.75Å; C1100-C1109 WeakPolarHBondContact CB-SG 3.48Å; C1100-C1109 VanDerWaalsContact SG-CA 3.57Å; C1100-C1109 WeakPolarHBondContact SG-CB 3.19Å; C1100-C1109 CovalentContact SG-SG 2.02Å; C1100-C1109 PolarHBondContact SG-SG 3.01Å; F1104-C1109 HydrophobicContact CB-CB 4.22Å; W1105-C1109 CarbonylContact O-C 3.56Å; W1105-C1109 VanDerWaalsContact O-C 3.29Å; W1105-C1109 WeakPolarHBondContact O-CA 3.13Å; G1106-C1109 PolarHBondContact O-N 3.47Å; E1107-C1109 PolarHBondContact O-N 3.13Å; C1109-R1111 VanDerWaalsContact C-N 3.31Å; C1109-R1111 PolarHBondContact O-N 3.05Å |
| 1110 | S | 80 | Confident | 78.4 | Confident | 93 Ų | 93 | 67 Ų | 67 | 65% | 0.65 | 41% | 0.405 | S | S | * | . | trans | -72.5 | -11.7 | -172.5 | 55.1 | 0 | 0 | 0 | 0 | 115.9 | W1105 E1107 G1108 | W1105-S1110 PolarHBondContact O-N 3.4Å; E1107-S1110 WeakPolarHBondContact O-CB 3.3Å; E1107-S1110 PolarHBondContact O-N 3.05Å; E1107-S1110 VanDerWaalsContact O-N 3.11Å; E1107-S1110 PolarHBondContact O-OG 2.69Å; G1108-S1110 VanDerWaalsContact C-N 3.27Å; G1108-S1110 PolarHBondContact O-N 3Å | ||
| 1111 | R | 78.9 | Confident | 78.4 | Confident | 110 Ų | 110 | 66.9 Ų | 66.9 | 42% | 0.415 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 142.1 | -176.8 | -64.6 | -174.1 | 173.5 | -169.3 | -1.3 | 112 | F1104 W1105 C1109 | F1104-R1111 CarbonylContact C-O 3.49Å; F1104-R1111 VanDerWaalsContact CA-O 3.27Å; F1104-R1111 WeakPolarHBondContact CA-O 3.47Å; W1105-R1111 HydrophobicContact CD2-CB 3.92Å; W1105-R1111 HydrophobicContact CG-CB 4.16Å; W1105-R1111 HydrophobicContact CZ2-CB 4.1Å; W1105-R1111 HydrophobicContact CZ2-CG 4.5Å; W1105-R1111 PolarHBondContact N-O 3.28Å; W1105-R1111 PolarHBondContact O-N 2.64Å; C1109-R1111 VanDerWaalsContact C-N 3.31Å; C1109-R1111 PolarHBondContact O-N 3.05Å |
| 1112 | T | 81.4 | Confident | 78.3 | Confident | 94 Ų | 94 | 65.2 Ų | 65.2 | 58% | 0.577 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 148.2 | 174.5 | -23.5 | 0 | 0 | 0 | 0 | 111 | G1103 F1104 W1105 A1114 | G1103-T1112 CarbonylContact O-C 3.46Å; G1103-T1112 WeakPolarHBondContact O-CA 3.32Å; G1103-T1112 VanDerWaalsContact O-CG2 3.28Å; G1103-T1112 WeakPolarHBondContact O-CG2 3.31Å; F1104-T1112 HydrophobicContact CE1-CG2 4.34Å; W1105-T1112 PolarHBondContact NE1-O 2.81Å; T1112-A1114 PolarHBondContact O-N 2.95Å |
| 1113 | C | 78.1 | Confident | 78.4 | Confident | 30 Ų | 30 | 61.5 Ų | 61.5 | 20% | 0.203 | 36% | 0.364 | C | S | . | . | trans | -64.3 | 121.7 | 171.6 | -60.6 | 0 | 0 | 0 | 0 | 110.5 | G1103 C1115 C1121 | G1103-C1113 VanDerWaalsContact CA-SG 3.51Å; G1103-C1113 PolarHBondContact O-N 2.03Å; C1113-C1115 VanDerWaalsContact C-N 3.27Å; C1113-C1115 PolarHBondContact O-N 2.84Å; C1113-C1121 WeakPolarHBondContact CA-SG 3.49Å; C1113-C1121 HydrophobicContact CB-CB 3.69Å; C1113-C1121 WeakPolarHBondContact CB-SG 3.47Å; C1113-C1121 WeakPolarHBondContact SG-CB 3.46Å; C1113-C1121 PolarHBondContact SG-N 2.89Å; C1113-C1121 VanDerWaalsContact SG-N 3.39Å; C1113-C1121 CovalentContact SG-SG 2.03Å; C1113-C1121 PolarHBondContact SG-SG 2.76Å | ||
| 1114 | A | 79.4 | Confident | 78.3 | Confident | 79 Ų | 79 | 64.7 Ų | 64.7 | 65% | 0.653 | 37% | 0.372 | S | S | * | . | trans | -90.7 | 31.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | T1112 A1138 | T1112-A1114 PolarHBondContact O-N 2.95Å; A1114-A1138 VanDerWaalsContact O-CB 3.27Å; A1114-A1138 WeakPolarHBondContact O-CB 3.41Å | ||
| 1115 | C | 80.5 | Confident | 78.2 | Confident | 24 Ų | 24 | 64.3 Ų | 64.3 | 16% | 0.162 | 38% | 0.378 | C | S | . | . | trans | -87.8 | 130.5 | -167.1 | -50.4 | 0 | 0 | 0 | 0 | 113.4 | C1113 A1119 C1128 | C1113-C1115 VanDerWaalsContact C-N 3.27Å; C1113-C1115 PolarHBondContact O-N 2.84Å; C1115-A1119 HydrophobicContact CB-CB 3.96Å; C1115-A1119 WeakPolarHBondContact CB-O 3.47Å; C1115-C1128 WeakPolarHBondContact CA-SG 3.29Å; C1115-C1128 HydrophobicContact CB-CB 3.82Å; C1115-C1128 WeakPolarHBondContact CB-SG 3.02Å; C1115-C1128 WeakPolarHBondContact SG-CB 3.24Å; C1115-C1128 CovalentContact SG-SG 2.03Å; C1115-C1128 PolarHBondContact SG-SG 3.02Å | ||
| 1116 | L | 77.6 | Confident | 77.8 | Confident | 87 Ų | 87 | 62.3 Ų | 62.3 | 46% | 0.455 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -78.4 | 169.4 | 170.7 | -56.2 | -179.3 | 0 | 0 | 0 | 111.7 | G1118 A1119 A1138 E1140 | L1116-G1118 PolarHBondContact O-N 2.88Å; L1116-A1119 PolarHBondContact O-N 3.11Å; L1116-A1138 WeakPolarHBondContact CA-O 3.47Å; L1116-A1138 WeakPolarHBondContact CB-O 3.49Å; L1116-A1138 HydrophobicContact CG-CB 4.25Å; L1116-A1138 WeakPolarHBondContact CG-O 3.19Å; L1116-A1138 PolarHBondContact N-O 3.45Å; L1116-E1140 HydrophobicContact CD1-CB 3.7Å |
| 1117 | R | 70 | Confident | 78.1 | Confident | 163 Ų | 163 | 69 Ų | 69 | 62% | 0.615 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 14.8 | 172.5 | -53.5 | -174.3 | -178.8 | -74.5 | -7.1 | 115.8 | W1134 | R1117-W1134 VanDerWaalsContact NE-CZ3 3.34Š|
| 1118 | G | 68.9 | Low | 78.4 | Confident | 73 Ų | 73 | 64 Ų | 64 | 75% | 0.753 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.1 | 13.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1116 | L1116-G1118 PolarHBondContact O-N 2.88Š|
| 1119 | A | 70.8 | Confident | 78.7 | Confident | 13 Ų | 13 | 69 Ų | 69 | 11% | 0.107 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 142.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | C1115 L1116 R1129 C1139 | C1115-A1119 HydrophobicContact CB-CB 3.96Å; C1115-A1119 WeakPolarHBondContact CB-O 3.47Å; L1116-A1119 PolarHBondContact O-N 3.11Å; A1119-R1129 VanDerWaalsContact CB-O 3.23Å; A1119-R1129 WeakPolarHBondContact CB-O 3.38Å; A1119-C1139 HydrophobicContact CB-CB 4.49Å |
| 1120 | T | 80.1 | Confident | 78.6 | Confident | 91 Ų | 91 | 68.5 Ų | 68.5 | 56% | 0.558 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 140.6 | 172.7 | 52.7 | 0 | 0 | 0 | 0 | 110.2 | R1129 | T1120-R1129 WeakPolarHBondContact O-CB 3Å; T1120-R1129 PolarHBondContact O-N 2.98Å |
| 1121 | C | 80.6 | Confident | 78.6 | Confident | 14 Ų | 14 | 67.4 Ų | 67.4 | 10% | 0.095 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 151.9 | 167.9 | 71.6 | 0 | 0 | 0 | 0 | 112.8 | W1105 C1113 G1126 K1127 | W1105-C1121 VanDerWaalsContact CD1-SG 3.51Å; C1113-C1121 WeakPolarHBondContact CA-SG 3.49Å; C1113-C1121 HydrophobicContact CB-CB 3.69Å; C1113-C1121 WeakPolarHBondContact CB-SG 3.47Å; C1113-C1121 WeakPolarHBondContact SG-CB 3.46Å; C1113-C1121 PolarHBondContact SG-N 2.89Å; C1113-C1121 VanDerWaalsContact SG-N 3.39Å; C1113-C1121 CovalentContact SG-SG 2.03Å; C1113-C1121 PolarHBondContact SG-SG 2.76Å; C1121-G1126 VanDerWaalsContact CB-O 3.22Å; C1121-G1126 WeakPolarHBondContact CB-O 3.01Å; C1121-K1127 WeakPolarHBondContact CA-O 2.98Å |
| 1122 | D | 80 | Confident | 78.7 | Confident | 40 Ų | 40 | 64.8 Ų | 64.8 | 21% | 0.214 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 130.2 | 166.5 | 176.3 | -93.4 | 0 | 0 | 0 | 110.1 | I1124 T1125 G1126 K1127 | D1122-I1124 VanDerWaalsContact C-N 3.27Å; D1122-I1124 PolarHBondContact O-N 3.17Å; D1122-I1124 WeakPolarHBondContact OD1-CB 3.34Å; D1122-I1124 PolarHBondContact OD1-N 3.13Å; D1122-I1124 VanDerWaalsContact OD1-N 3.13Å; D1122-T1125 WeakPolarHBondContact CB-OG1 3.22Å; D1122-T1125 VanDerWaalsContact CG-OG1 3.32Å; D1122-T1125 PolarHBondContact O-N 2.89Å; D1122-T1125 PolarHBondContact OD1-N 3.35Å; D1122-T1125 PolarHBondContact OD1-OG1 3.11Å; D1122-G1126 WeakPolarHBondContact O-CA 3.27Å; D1122-G1126 PolarHBondContact O-N 3.11Å; D1122-K1127 PolarHBondContact N-O 3.26Å |
| 1123 | P | 79.9 | Confident | 78.7 | Confident | 48 Ų | 48 | 60.3 Ų | 60.3 | 31% | 0.312 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -23.5 | -171 | 28.5 | -36 | 0 | 0 | 0 | 113.1 | G1090 C1100 W1105 G1106 | G1090-P1123 WeakPolarHBondContact CA-O 3.05Å; G1090-P1123 PolarHBondContact N-O 3Å; G1090-P1123 VanDerWaalsContact N-O 3.15Å; C1100-P1123 HydrophobicContact CB-CB 3.77Å; W1105-P1123 CarbonylContact C-O 3.15Å; W1105-P1123 WeakPolarHBondContact CA-O 3.21Å; W1105-P1123 WeakPolarHBondContact CB-O 3.39Å; G1106-P1123 PolarHBondContact N-O 3.28Å |
| 1124 | I | 79.4 | Confident | 78.9 | Confident | 97 Ų | 97 | 61 Ų | 61 | 50% | 0.497 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -51.9 | 177.9 | -52.1 | -174.5 | 0 | 0 | 0 | 109.6 | P1089 D1122 | P1089-I1124 HydrophobicContact CB-CG2 3.92Å; P1089-I1124 WeakPolarHBondContact CB-O 3.36Å; P1089-I1124 WeakPolarHBondContact O-CG1 3.31Å; P1089-I1124 WeakPolarHBondContact O-CG2 3.49Å; D1122-I1124 VanDerWaalsContact C-N 3.27Å; D1122-I1124 PolarHBondContact O-N 3.17Å; D1122-I1124 WeakPolarHBondContact OD1-CB 3.34Å; D1122-I1124 PolarHBondContact OD1-N 3.13Å; D1122-I1124 VanDerWaalsContact OD1-N 3.13Å |
| 1125 | T | 79.6 | Confident | 79 | Confident | 83 Ų | 83 | 60.9 Ų | 60.9 | 51% | 0.509 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | -11.5 | -163.9 | 58.3 | 0 | 0 | 0 | 0 | 114.8 | W1105 D1122 K1127 | W1105-T1125 WeakPolarHBondContact CZ3-O 3.3Å; D1122-T1125 WeakPolarHBondContact CB-OG1 3.22Å; D1122-T1125 VanDerWaalsContact CG-OG1 3.32Å; D1122-T1125 PolarHBondContact O-N 2.89Å; D1122-T1125 PolarHBondContact OD1-N 3.35Å; D1122-T1125 PolarHBondContact OD1-OG1 3.11Å; T1125-K1127 PolarHBondContact O-N 3.31Å; T1125-K1127 VanDerWaalsContact O-N 3.07Å |
| 1126 | G | 78.3 | Confident | 78.6 | Confident | 12 Ų | 12 | 60.7 Ų | 60.7 | 12% | 0.124 | 33% | 0.333 | C | S | . | . | trans | 71.7 | -6.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | W1105 C1121 D1122 C1128 | W1105-G1126 VanDerWaalsContact CE3-N 3.26Å; C1121-G1126 VanDerWaalsContact CB-O 3.22Å; C1121-G1126 WeakPolarHBondContact CB-O 3.01Å; D1122-G1126 WeakPolarHBondContact O-CA 3.27Å; D1122-G1126 PolarHBondContact O-N 3.11Å; G1126-C1128 PolarHBondContact O-N 3.44Å | ||
| 1127 | K | 79.1 | Confident | 78.5 | Confident | 145 Ų | 145 | 65.1 Ų | 65.1 | 63% | 0.63 | 35% | 0.351 | S | S | * | . | trans | -63.4 | 122.9 | -179.3 | -172.6 | 170.5 | -176 | 172.6 | 0 | 110 | C1121 D1122 T1125 R1129 | C1121-K1127 WeakPolarHBondContact CA-O 2.98Å; D1122-K1127 PolarHBondContact N-O 3.26Å; T1125-K1127 PolarHBondContact O-N 3.31Å; T1125-K1127 VanDerWaalsContact O-N 3.07Å; K1127-R1129 PolarHBondContact O-N 2.76Å | ||
| 1128 | C | 82.8 | Confident | 79 | Confident | 6 Ų | 6 | 58.5 Ų | 58.5 | 4% | 0.041 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 128.3 | 177.1 | -62.5 | 0 | 0 | 0 | 0 | 111.2 | C1115 G1126 C1130 E1137 C1139 S1151 | C1115-C1128 WeakPolarHBondContact CA-SG 3.29Å; C1115-C1128 HydrophobicContact CB-CB 3.82Å; C1115-C1128 WeakPolarHBondContact CB-SG 3.02Å; C1115-C1128 WeakPolarHBondContact SG-CB 3.24Å; C1115-C1128 CovalentContact SG-SG 2.03Å; C1115-C1128 PolarHBondContact SG-SG 3.02Å; G1126-C1128 PolarHBondContact O-N 3.44Å; C1128-C1130 PolarHBondContact O-N 2.94Å; C1128-E1137 WeakPolarHBondContact CB-O 3.48Å; C1128-E1137 PolarHBondContact SG-O 3.1Å; C1128-C1139 WeakPolarHBondContact CB-SG 3.48Å; C1128-S1151 PolarHBondContact O-OG 2.94Å |
| 1129 | R | 84.3 | Confident | 79.6 | Confident | 136 Ų | 136 | 55.1 Ų | 55.1 | 51% | 0.513 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 95.3 | 169.5 | -74.7 | -174.7 | 174.7 | -135.7 | 6.7 | 109.1 | A1119 T1120 K1127 E1150 | A1119-R1129 VanDerWaalsContact CB-O 3.23Å; A1119-R1129 WeakPolarHBondContact CB-O 3.38Å; T1120-R1129 WeakPolarHBondContact O-CB 3Å; T1120-R1129 PolarHBondContact O-N 2.98Å; K1127-R1129 PolarHBondContact O-N 2.76Å; R1129-E1150 WeakPolarHBondContact CB-OE1 3.33Å; R1129-E1150 WeakPolarHBondContact CD-OE1 3.03Å; R1129-E1150 IonicContact NH1-OE1 3.32Å |
| 1130 | C | 81.6 | Confident | 80.1 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.007 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -80.7 | 130 | -172.9 | -55.4 | 0 | 0 | 0 | 0 | 110.7 | C1128 W1134 C1139 E1150 S1151 | C1128-C1130 PolarHBondContact O-N 2.94Å; C1130-W1134 HydrophobicContact CB-CB 4.15Å; C1130-W1134 WeakPolarHBondContact CB-O 3.35Å; C1130-C1139 WeakPolarHBondContact CA-SG 3.28Å; C1130-C1139 HydrophobicContact CB-CB 3.71Å; C1130-C1139 WeakPolarHBondContact CB-SG 3.04Å; C1130-C1139 WeakPolarHBondContact SG-CA 3.47Å; C1130-C1139 WeakPolarHBondContact SG-CB 3.3Å; C1130-C1139 CovalentContact SG-SG 2.03Å; C1130-C1139 PolarHBondContact SG-SG 3.09Å; C1130-E1150 CarbonylContact O-C 3.42Å; C1130-E1150 WeakPolarHBondContact O-CA 3.41Å; C1130-E1150 WeakPolarHBondContact O-CG 3.36Å; C1130-S1151 PolarHBondContact N-OG 3.1Å; C1130-S1151 PolarHBondContact O-N 3.46Å |
| 1131 | S | 78.4 | Confident | 80 | Confident | 69 Ų | 69 | 57.1 Ų | 57.1 | 48% | 0.483 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 151.6 | 173.2 | -51.1 | 0 | 0 | 0 | 0 | 111.3 | G1133 W1134 | S1131-G1133 PolarHBondContact O-N 2.88Å; S1131-W1134 PolarHBondContact O-N 2.81Å; S1131-W1134 VanDerWaalsContact O-N 3.15Å |
| 1132 | S | 81 | Confident | 80 | Confident | 55 Ų | 55 | 59 Ų | 59 | 39% | 0.385 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | 132.4 | -176.9 | -49.5 | 0 | 0 | 0 | 0 | 112.4 | G1149 F1173 | S1132-G1149 WeakPolarHBondContact CA-O 3.44Å; S1132-F1173 WeakPolarHBondContact O-CD1 3.25Å |
| 1133 | G | 81.3 | Confident | 79.9 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.7 | -1.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116 | S1131 P1142 C1143 R1172 | S1131-G1133 PolarHBondContact O-N 2.88Å; G1133-P1142 WeakPolarHBondContact O-CA 3.41Å; G1133-C1143 WeakPolarHBondContact CA-SG 3.36Å; G1133-C1143 PolarHBondContact O-N 3.41Å; G1133-R1172 VanDerWaalsContact CA-O 3.22Å; G1133-R1172 WeakPolarHBondContact CA-O 3.33Å; G1133-R1172 PolarHBondContact N-O 3.3Å |
| 1134 | W | 82.4 | Confident | 79.5 | Confident | 44 Ų | 44 | 61.9 Ų | 61.9 | 17% | 0.167 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 144.6 | -179 | -57 | 91.1 | 0 | 0 | 0 | 113.4 | R1117 C1130 S1131 C1139 L1141 P1142 S1151 C1152 F1173 | R1117-W1134 VanDerWaalsContact NE-CZ3 3.34Å; C1130-W1134 HydrophobicContact CB-CB 4.15Å; C1130-W1134 WeakPolarHBondContact CB-O 3.35Å; S1131-W1134 PolarHBondContact O-N 2.81Å; S1131-W1134 VanDerWaalsContact O-N 3.15Å; W1134-C1139 HydrophobicContact CB-CB 4.46Å; W1134-L1141 CarbonylContact C-O 3.53Å; W1134-L1141 VanDerWaalsContact CA-O 3.31Å; W1134-L1141 WeakPolarHBondContact CA-O 3.17Å; W1134-P1142 HydrophobicContact CE3-CB 4.48Å; W1134-P1142 HydrophobicContact CZ3-CB 4.24Å; W1134-S1151 WeakPolarHBondContact O-CA 3.38Å; W1134-C1152 PolarHBondContact O-SG 2.91Å; W1134-C1152 VanDerWaalsContact O-SG 3.41Å; W1134-F1173 AromaticContact NE1-CE1 4Å |
| 1135 | Y | 81.7 | Confident | 79.1 | Confident | 77 Ų | 77 | 61.9 Ų | 61.9 | 30% | 0.302 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | -162.3 | 166.4 | 83.4 | -62.4 | 0 | 0 | 0 | 110.2 | C1139 E1140 L1141 P1142 Q1144 | Y1135-C1139 CarbonylContact O-C 3.51Å; Y1135-C1139 VanDerWaalsContact O-C 3.28Å; Y1135-C1139 VanDerWaalsContact O-CA 3.25Å; Y1135-C1139 WeakPolarHBondContact O-CA 3.04Å; Y1135-E1140 PolarHBondContact O-N 3.28Å; Y1135-L1141 HydrophobicContact CD1-CB 3.67Å; Y1135-L1141 HydrophobicContact CE1-CB 3.44Å; Y1135-L1141 VanDerWaalsContact CE1-CB 3.44Å; Y1135-L1141 HydrophobicContact CE1-CD1 3.97Å; Y1135-L1141 HydrophobicContact CE1-CG 4.36Å; Y1135-L1141 HydrophobicContact CE2-CD1 3.93Å; Y1135-L1141 HydrophobicContact CG-CB 4.39Å; Y1135-L1141 PolarHBondContact N-O 2.67Å; Y1135-L1141 PolarHBondContact O-N 2.03Å; Y1135-L1141 VanDerWaalsContact O-O 3.05Å; Y1135-P1142 WeakPolarHBondContact CD1-O 3.37Å; Y1135-P1142 WeakPolarHBondContact CE1-O 3.37Å; Y1135-Q1144 HydrophobicContact CE1-CG 4.43Å |
| 1136 | G | 73.2 | Confident | 78.7 | Confident | 21 Ų | 21 | 59.2 Ų | 59.2 | 22% | 0.216 | 32% | 0.317 | C | S | . | . | S | Bend | trans | 93 | 161.2 | -164.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | A1138 C1139 E1140 | G1136-A1138 PolarHBondContact O-N 2.03Å; G1136-C1139 PolarHBondContact O-N 3.47Å; G1136-E1140 WeakPolarHBondContact CA-OE1 3.48Å; G1136-E1140 WeakPolarHBondContact CA-OE2 3.32Å |
| 1137 | E | 74.6 | Confident | 78.8 | Confident | 179 Ų | 179 | 62.6 Ų | 62.6 | 84% | 0.836 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -31.1 | -177.1 | -68.5 | -152.7 | 130.7 | 0 | 0 | 112.2 | C1128 E1140 | C1128-E1137 WeakPolarHBondContact CB-O 3.48Å; C1128-E1137 PolarHBondContact SG-O 3.1Å; E1137-E1140 PolarHBondContact N-OE1 2.84Å; E1137-E1140 PolarHBondContact N-OE2 2.81Å |
| 1138 | A | 80.2 | Confident | 79.1 | Confident | 24 Ų | 24 | 59.5 Ų | 59.5 | 20% | 0.198 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 12.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1114 L1116 G1136 E1140 | A1114-A1138 VanDerWaalsContact O-CB 3.27Å; A1114-A1138 WeakPolarHBondContact O-CB 3.41Å; L1116-A1138 WeakPolarHBondContact CA-O 3.47Å; L1116-A1138 WeakPolarHBondContact CB-O 3.49Å; L1116-A1138 HydrophobicContact CG-CB 4.25Å; L1116-A1138 WeakPolarHBondContact CG-O 3.19Å; L1116-A1138 PolarHBondContact N-O 3.45Å; G1136-A1138 PolarHBondContact O-N 2.03Å; A1138-E1140 VanDerWaalsContact C-N 3.27Å; A1138-E1140 VanDerWaalsContact C-OE2 3.26Å; A1138-E1140 VanDerWaalsContact CA-OE2 3.27Å; A1138-E1140 WeakPolarHBondContact CA-OE2 3.48Å; A1138-E1140 WeakPolarHBondContact CB-OE2 3.37Å; A1138-E1140 PolarHBondContact N-OE2 3.34Å; A1138-E1140 PolarHBondContact O-N 3.14Å |
| 1139 | C | 82.4 | Confident | 78.8 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.014 | 32% | 0.315 | C | S | . | . | S | Bend | trans | 61.6 | 31.4 | -172.9 | -48.1 | 0 | 0 | 0 | 0 | 114.3 | A1119 C1128 C1130 W1134 Y1135 G1136 | A1119-C1139 HydrophobicContact CB-CB 4.49Å; C1128-C1139 WeakPolarHBondContact CB-SG 3.48Å; C1130-C1139 WeakPolarHBondContact CA-SG 3.28Å; C1130-C1139 HydrophobicContact CB-CB 3.71Å; C1130-C1139 WeakPolarHBondContact CB-SG 3.04Å; C1130-C1139 WeakPolarHBondContact SG-CA 3.47Å; C1130-C1139 WeakPolarHBondContact SG-CB 3.3Å; C1130-C1139 CovalentContact SG-SG 2.03Å; C1130-C1139 PolarHBondContact SG-SG 3.09Å; W1134-C1139 HydrophobicContact CB-CB 4.46Å; Y1135-C1139 CarbonylContact O-C 3.51Å; Y1135-C1139 VanDerWaalsContact O-C 3.28Å; Y1135-C1139 VanDerWaalsContact O-CA 3.25Å; Y1135-C1139 WeakPolarHBondContact O-CA 3.04Å; G1136-C1139 PolarHBondContact O-N 3.47Å |
| 1140 | E | 80.5 | Confident | 78.6 | Confident | 79 Ų | 79 | 57.4 Ų | 57.4 | 37% | 0.369 | 31% | 0.311 | S | S | . | . | trans | -81.8 | -26.9 | -176.6 | 73.4 | -69.7 | 170.8 | 0 | 0 | 114 | L1116 Y1135 G1136 E1137 A1138 | L1116-E1140 HydrophobicContact CD1-CB 3.7Å; Y1135-E1140 PolarHBondContact O-N 3.28Å; G1136-E1140 WeakPolarHBondContact CA-OE1 3.48Å; G1136-E1140 WeakPolarHBondContact CA-OE2 3.32Å; E1137-E1140 PolarHBondContact N-OE1 2.84Å; E1137-E1140 PolarHBondContact N-OE2 2.81Å; A1138-E1140 VanDerWaalsContact C-N 3.27Å; A1138-E1140 VanDerWaalsContact C-OE2 3.26Å; A1138-E1140 VanDerWaalsContact CA-OE2 3.27Å; A1138-E1140 WeakPolarHBondContact CA-OE2 3.48Å; A1138-E1140 WeakPolarHBondContact CB-OE2 3.37Å; A1138-E1140 PolarHBondContact N-OE2 3.34Å; A1138-E1140 PolarHBondContact O-N 3.14Å | ||
| 1141 | L | 78.1 | Confident | 78.3 | Confident | 68 Ų | 68 | 59.2 Ų | 59.2 | 36% | 0.356 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 137.7 | -175 | -56 | 179.4 | 0 | 0 | 0 | 111.7 | W1134 Y1135 | W1134-L1141 CarbonylContact C-O 3.53Å; W1134-L1141 VanDerWaalsContact CA-O 3.31Å; W1134-L1141 WeakPolarHBondContact CA-O 3.17Å; Y1135-L1141 HydrophobicContact CD1-CB 3.67Å; Y1135-L1141 HydrophobicContact CE1-CB 3.44Å; Y1135-L1141 VanDerWaalsContact CE1-CB 3.44Å; Y1135-L1141 HydrophobicContact CE1-CD1 3.97Å; Y1135-L1141 HydrophobicContact CE1-CG 4.36Å; Y1135-L1141 HydrophobicContact CE2-CD1 3.93Å; Y1135-L1141 HydrophobicContact CG-CB 4.39Å; Y1135-L1141 PolarHBondContact N-O 2.67Å; Y1135-L1141 PolarHBondContact O-N 2.03Å; Y1135-L1141 VanDerWaalsContact O-O 3.05Å |
| 1142 | P | 80.4 | Confident | 78.3 | Confident | 53 Ų | 53 | 56.5 Ų | 56.5 | 34% | 0.344 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 150.4 | 167.7 | 32.4 | -33.9 | 0 | 0 | 0 | 110.5 | G1133 W1134 Y1135 Q1144 | G1133-P1142 WeakPolarHBondContact O-CA 3.41Å; W1134-P1142 HydrophobicContact CE3-CB 4.48Å; W1134-P1142 HydrophobicContact CZ3-CB 4.24Å; Y1135-P1142 WeakPolarHBondContact CD1-O 3.37Å; Y1135-P1142 WeakPolarHBondContact CE1-O 3.37Å; P1142-Q1144 PolarHBondContact O-N 2.79Å |
| 1143 | C | 78.2 | Confident | 78.2 | Confident | 13 Ų | 13 | 57.9 Ų | 57.9 | 9% | 0.088 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -51.5 | 133.9 | 176.2 | -59.6 | 0 | 0 | 0 | 0 | 112.1 | G1133 H1147 C1152 R1172 | G1133-C1143 WeakPolarHBondContact CA-SG 3.36Å; G1133-C1143 PolarHBondContact O-N 3.41Å; C1143-H1147 VanDerWaalsContact CB-O 3.28Å; C1143-H1147 WeakPolarHBondContact CB-O 3.48Å; C1143-C1152 WeakPolarHBondContact CA-SG 3.13Å; C1143-C1152 HydrophobicContact CB-CB 3.92Å; C1143-C1152 WeakPolarHBondContact CB-SG 3.13Å; C1143-C1152 WeakPolarHBondContact SG-CB 3.46Å; C1143-C1152 CovalentContact SG-SG 2.02Å; C1143-C1152 PolarHBondContact SG-SG 3.36Å; C1143-R1172 HydrophobicContact CB-CB 4.29Å |
| 1144 | Q | 72.7 | Confident | 78.1 | Confident | 135 Ų | 135 | 60.3 Ų | 60.3 | 63% | 0.631 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 151.1 | 166.7 | -73.5 | -173.8 | -47.3 | 0 | 0 | 110.5 | Y1135 P1142 G1146 H1147 | Y1135-Q1144 HydrophobicContact CE1-CG 4.43Å; P1142-Q1144 PolarHBondContact O-N 2.79Å; Q1144-G1146 PolarHBondContact O-N 2.92Å; Q1144-H1147 PolarHBondContact O-N 2.88Å |
| 1145 | S | 70.2 | Confident | 77.7 | Confident | 97 Ų | 97 | 61.7 Ų | 61.7 | 68% | 0.678 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | 134.5 | 177.2 | -65 | 0 | 0 | 0 | 0 | 111.1 | E1169 | S1145-E1169 PolarHBondContact OG-OE1 2.98Š|
| 1146 | G | 71.6 | Confident | 77.3 | Confident | 27 Ų | 27 | 59 Ų | 59 | 28% | 0.278 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | 7.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q1144 C1156 | Q1144-G1146 PolarHBondContact O-N 2.92Å; G1146-C1156 WeakPolarHBondContact O-CB 2.99Å; G1146-C1156 PolarHBondContact O-N 3.13Å |
| 1147 | H | 80.4 | Confident | 77.4 | Confident | 83 Ų | 83 | 62.8 Ų | 62.8 | 38% | 0.384 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 146.6 | 172.2 | -67.8 | 78.6 | 0 | 0 | 0 | 113 | C1143 Q1144 C1152 C1156 | C1143-H1147 VanDerWaalsContact CB-O 3.28Å; C1143-H1147 WeakPolarHBondContact CB-O 3.48Å; Q1144-H1147 PolarHBondContact O-N 2.88Å; H1147-C1152 HydrophobicContact CB-CB 4.06Å; H1147-C1156 VanDerWaalsContact C-SG 3.52Å; H1147-C1156 PolarHBondContact N-SG 3.17Å |
| 1148 | W | 84.9 | Confident | 77.3 | Confident | 81 Ų | 81 | 54.4 Ų | 54.4 | 31% | 0.307 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | -174.5 | 177.5 | 79.7 | -68.9 | 0 | 0 | 0 | 112 | C1152 S1153 V1154 T1174 | W1148-C1152 CarbonylContact O-C 3.46Å; W1148-C1152 VanDerWaalsContact O-CA 3.28Å; W1148-C1152 WeakPolarHBondContact O-CA 3.42Å; W1148-S1153 PolarHBondContact O-N 3.23Å; W1148-V1154 HydrophobicContact CD2-CB 4.5Å; W1148-V1154 HydrophobicContact CG-CB 4.35Å; W1148-V1154 HydrophobicContact CZ2-CG1 4.29Å; W1148-V1154 PolarHBondContact N-O 2.89Å; W1148-V1154 WeakPolarHBondContact O-CB 3.09Å; W1148-V1154 PolarHBondContact O-N 3.24Å; W1148-T1174 VanDerWaalsContact CE3-C 3.47Å; W1148-T1174 VanDerWaalsContact CZ3-O 3.26Å; W1148-T1174 WeakPolarHBondContact CZ3-O 3.23Å |
| 1149 | G | 77.4 | Confident | 76.4 | Confident | 5 Ų | 5 | 55 Ų | 55 | 5% | 0.052 | 31% | 0.311 | C | S | . | . | S | Bend | trans | 81.2 | -176.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S1132 S1151 C1152 | S1132-G1149 WeakPolarHBondContact CA-O 3.44Å; G1149-S1151 PolarHBondContact O-N 3.21Å; G1149-C1152 PolarHBondContact O-N 2.83Å |
| 1150 | E | 79.6 | Confident | 75.3 | Confident | 93 Ų | 93 | 58.1 Ų | 58.1 | 44% | 0.435 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -58.9 | 128.1 | -179.5 | -167.8 | -178.1 | 172.7 | 0 | 0 | 110.2 | R1129 C1130 C1152 S1153 | R1129-E1150 WeakPolarHBondContact CB-OE1 3.33Å; R1129-E1150 WeakPolarHBondContact CD-OE1 3.03Å; R1129-E1150 IonicContact NH1-OE1 3.32Å; C1130-E1150 CarbonylContact O-C 3.42Å; C1130-E1150 WeakPolarHBondContact O-CA 3.41Å; C1130-E1150 WeakPolarHBondContact O-CG 3.36Å; E1150-C1152 PolarHBondContact O-N 3.09Å; E1150-C1152 VanDerWaalsContact O-N 3.07Å; E1150-S1153 WeakPolarHBondContact O-CB 3.24Å; E1150-S1153 PolarHBondContact O-N 2.03Å; E1150-S1153 PolarHBondContact O-OG 2.62Å |
| 1151 | S | 74.7 | Confident | 74 | Confident | 39 Ų | 39 | 58.9 Ų | 58.9 | 27% | 0.273 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | 48 | 30.4 | -171.2 | -63.7 | 0 | 0 | 0 | 0 | 114.9 | C1128 C1130 W1134 G1149 S1153 | C1128-S1151 PolarHBondContact O-OG 2.94Å; C1130-S1151 PolarHBondContact N-OG 3.1Å; C1130-S1151 PolarHBondContact O-N 3.46Å; W1134-S1151 WeakPolarHBondContact O-CA 3.38Å; G1149-S1151 PolarHBondContact O-N 3.21Å; S1151-S1153 PolarHBondContact O-N 2.96Å; S1151-S1153 VanDerWaalsContact O-N 3.17Å |
| 1152 | C | 79.7 | Confident | 72.7 | Confident | 12 Ų | 12 | 63 Ų | 63 | 8% | 0.081 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | 55.5 | 25.2 | -174.9 | -48.1 | 0 | 0 | 0 | 0 | 114.1 | W1134 C1143 H1147 W1148 G1149 E1150 V1154 | W1134-C1152 PolarHBondContact O-SG 2.91Å; W1134-C1152 VanDerWaalsContact O-SG 3.41Å; C1143-C1152 WeakPolarHBondContact CA-SG 3.13Å; C1143-C1152 HydrophobicContact CB-CB 3.92Å; C1143-C1152 WeakPolarHBondContact CB-SG 3.13Å; C1143-C1152 WeakPolarHBondContact SG-CB 3.46Å; C1143-C1152 CovalentContact SG-SG 2.02Å; C1143-C1152 PolarHBondContact SG-SG 3.36Å; H1147-C1152 HydrophobicContact CB-CB 4.06Å; W1148-C1152 CarbonylContact O-C 3.46Å; W1148-C1152 VanDerWaalsContact O-CA 3.28Å; W1148-C1152 WeakPolarHBondContact O-CA 3.42Å; G1149-C1152 PolarHBondContact O-N 2.83Å; E1150-C1152 PolarHBondContact O-N 3.09Å; E1150-C1152 VanDerWaalsContact O-N 3.07Å; C1152-V1154 PolarHBondContact O-N 3.42Å |
| 1153 | S | 79 | Confident | 71.5 | Confident | 84 Ų | 84 | 71.5 Ų | 71.5 | 59% | 0.587 | 40% | 0.397 | S | S | * | . | trans | -70.5 | -12.1 | -172.4 | 57.7 | 0 | 0 | 0 | 0 | 115.2 | W1148 E1150 S1151 P1155 | W1148-S1153 PolarHBondContact O-N 3.23Å; E1150-S1153 WeakPolarHBondContact O-CB 3.24Å; E1150-S1153 PolarHBondContact O-N 2.03Å; E1150-S1153 PolarHBondContact O-OG 2.62Å; S1151-S1153 PolarHBondContact O-N 2.96Å; S1151-S1153 VanDerWaalsContact O-N 3.17Å; S1153-P1155 VanDerWaalsContact O-CD 3.29Å; S1153-P1155 WeakPolarHBondContact O-CD 3.47Å | ||
| 1154 | V | 77.2 | Confident | 70 | Confident | 51 Ų | 51 | 74.7 Ų | 74.7 | 31% | 0.309 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 103.2 | 178.5 | -169.2 | 0 | 0 | 0 | 0 | 108.4 | W1148 C1152 C1156 | W1148-V1154 HydrophobicContact CD2-CB 4.5Å; W1148-V1154 HydrophobicContact CG-CB 4.35Å; W1148-V1154 HydrophobicContact CZ2-CG1 4.29Å; W1148-V1154 PolarHBondContact N-O 2.89Å; W1148-V1154 WeakPolarHBondContact O-CB 3.09Å; W1148-V1154 PolarHBondContact O-N 3.24Å; C1152-V1154 PolarHBondContact O-N 3.42Å; V1154-C1156 PolarHBondContact O-N 3.06Å |
| 1155 | P | 74.9 | Confident | 69 | Low | 72 Ų | 72 | 74.4 Ų | 74.4 | 47% | 0.468 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 135 | 169 | 26.5 | -33.7 | 0 | 0 | 0 | 108.9 | S1153 Q1157 | S1153-P1155 VanDerWaalsContact O-CD 3.29Å; S1153-P1155 WeakPolarHBondContact O-CD 3.47Å; P1155-Q1157 PolarHBondContact O-N 3.01Å |
| 1156 | C | 72.5 | Confident | 68.2 | Low | 20 Ų | 20 | 76.7 Ų | 76.7 | 14% | 0.135 | 42% | 0.423 | C | S | . | . | trans | -69.4 | 115.8 | -174.7 | -68.2 | 0 | 0 | 0 | 0 | 110.3 | G1146 H1147 V1154 C1158 C1170 | G1146-C1156 WeakPolarHBondContact O-CB 2.99Å; G1146-C1156 PolarHBondContact O-N 3.13Å; H1147-C1156 VanDerWaalsContact C-SG 3.52Å; H1147-C1156 PolarHBondContact N-SG 3.17Å; V1154-C1156 PolarHBondContact O-N 3.06Å; C1156-C1158 PolarHBondContact O-N 2.83Å; C1156-C1170 HydrophobicContact CB-CB 3.54Å; C1156-C1170 WeakPolarHBondContact CB-SG 3.21Å; C1156-C1170 WeakPolarHBondContact SG-CB 3.44Å; C1156-C1170 CovalentContact SG-SG 2.01Å; C1156-C1170 PolarHBondContact SG-SG 3.48Å | ||
| 1157 | Q | 76 | Confident | 67.4 | Low | 102 Ų | 102 | 77.1 Ų | 77.1 | 48% | 0.477 | 43% | 0.428 | S | S | . | . | trans | -80.2 | 56.1 | -177.3 | -63.5 | 177.7 | -12.1 | 0 | 0 | 110.2 | P1155 R1187 | P1155-Q1157 PolarHBondContact O-N 3.01Å; Q1157-R1187 HydrophobicContact CB-CG 4.24Å; Q1157-R1187 CarbonylContact O-C 3.53Å; Q1157-R1187 WeakPolarHBondContact O-CA 3.23Å; Q1157-R1187 WeakPolarHBondContact O-CB 3.06Å; Q1157-R1187 WeakPolarHBondContact O-CG 3.45Å | ||
| 1158 | C | 73.1 | Confident | 66.5 | Low | 3 Ų | 3 | 73.5 Ų | 73.5 | 2% | 0.02 | 41% | 0.413 | C | S | . | . | trans | -103.8 | 28.6 | -177.8 | -50.8 | 0 | 0 | 0 | 0 | 112.2 | C1156 G1168 C1177 R1187 C1188 | C1156-C1158 PolarHBondContact O-N 2.83Å; C1158-G1168 WeakPolarHBondContact CB-O 3.47Å; C1158-G1168 PolarHBondContact O-N 3.06Å; C1158-C1177 WeakPolarHBondContact CA-SG 3.46Å; C1158-C1177 HydrophobicContact CB-CB 3.79Å; C1158-C1177 WeakPolarHBondContact CB-SG 2.93Å; C1158-C1177 VanDerWaalsContact SG-CA 3.54Å; C1158-C1177 WeakPolarHBondContact SG-CB 3.38Å; C1158-C1177 CovalentContact SG-SG 2.04Å; C1158-C1177 PolarHBondContact SG-SG 3.17Å; C1158-R1187 CarbonylContact C-O 3.5Å; C1158-R1187 WeakPolarHBondContact CA-O 3.06Å; C1158-C1188 WeakPolarHBondContact O-CB 3.02Å | ||
| 1159 | S | 60.8 | Low | 65.7 | Low | 36 Ų | 36 | 75.2 Ų | 75.2 | 25% | 0.252 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -150.4 | 149.2 | 171.3 | 175.3 | 0 | 0 | 0 | 0 | 109.3 | N1161 R1187 | S1159-N1161 PolarHBondContact OG-N 2.97Å; S1159-N1161 PolarHBondContact OG-O 3.21Å; S1159-N1161 VanDerWaalsContact OG-O 3.07Å; S1159-R1187 PolarHBondContact N-O 2.96Å; S1159-R1187 VanDerWaalsContact N-O 3.13Å |
| 1160 | A | 58.4 | Low | 65.6 | Low | 67 Ų | 67 | 75.9 Ų | 75.9 | 55% | 0.554 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -74.4 | -23.7 | 173 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q1189 | A1160-Q1189 HydrophobicContact CB-CB 4.14Š|
| 1161 | N | 54.4 | Low | 65.5 | Low | 95 Ų | 95 | 74.6 Ų | 74.6 | 51% | 0.508 | 42% | 0.424 | S | S | . | . | trans | -128.5 | 132.1 | -173.2 | -80.7 | -37.2 | 0 | 0 | 0 | 111.5 | S1159 R1163 D1164 | S1159-N1161 PolarHBondContact OG-N 2.97Å; S1159-N1161 PolarHBondContact OG-O 3.21Å; S1159-N1161 VanDerWaalsContact OG-O 3.07Å; N1161-R1163 PolarHBondContact O-N 3.22Å; N1161-D1164 HydrophobicContact CB-CB 4.49Å; N1161-D1164 WeakPolarHBondContact CB-OD2 3.28Å; N1161-D1164 PolarHBondContact ND2-OD2 2.03Å; N1161-D1164 PolarHBondContact O-N 3.16Å | ||
| 1162 | T | 51 | Low | 65.3 | Low | 155 Ų | 155 | 77.5 Ų | 77.5 | 95% | 0.951 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | 13.9 | 174 | 52.9 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1163 | R | 54.1 | Low | 65.3 | Low | 231 Ų | 231 | 81.2 Ų | 81.2 | 87% | 0.872 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.2 | -8.6 | -179.3 | -67.1 | -174.5 | 179.5 | 177 | -0.7 | 114.3 | N1161 | N1161-R1163 PolarHBondContact O-N 3.22Š|
| 1164 | D | 47.9 | Very low | 65.3 | Low | 80 Ų | 80 | 81.3 Ų | 81.3 | 43% | 0.428 | 44% | 0.441 | S | S | . | . | trans | -92 | 117.7 | 175.7 | -77.9 | -54.9 | 0 | 0 | 0 | 109.1 | N1161 E1166 | N1161-D1164 HydrophobicContact CB-CB 4.49Å; N1161-D1164 WeakPolarHBondContact CB-OD2 3.28Å; N1161-D1164 PolarHBondContact ND2-OD2 2.03Å; N1161-D1164 PolarHBondContact O-N 3.16Å; D1164-E1166 PolarHBondContact O-N 3.41Å | ||
| 1165 | P | 51.7 | Low | 65.2 | Low | 130 Ų | 130 | 79.6 Ų | 79.6 | 84% | 0.844 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -68.7 | -16.6 | -177.8 | -22.6 | 35 | 0 | 0 | 0 | 115.2 | G1167 | P1165-G1167 VanDerWaalsContact C-N 3.27Å; P1165-G1167 PolarHBondContact O-N 3.02Å |
| 1166 | E | 52.9 | Low | 65.3 | Low | 144 Ų | 144 | 83.6 Ų | 83.6 | 67% | 0.673 | 45% | 0.446 | S | S | * | . | trans | -90.7 | 44.3 | -172.3 | -58.9 | -175.6 | 149.5 | 0 | 0 | 112.8 | D1164 | D1164-E1166 PolarHBondContact O-N 3.41Š| ||
| 1167 | G | 55.4 | Low | 65.4 | Low | 36 Ų | 36 | 83.7 Ų | 83.7 | 37% | 0.371 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 151.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | P1165 | P1165-G1167 VanDerWaalsContact C-N 3.27Å; P1165-G1167 PolarHBondContact O-N 3.02Å |
| 1168 | G | 60.9 | Low | 65.5 | Low | 7 Ų | 7 | 88.7 Ų | 88.7 | 7% | 0.072 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 152.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | C1158 | C1158-G1168 WeakPolarHBondContact CB-O 3.47Å; C1158-G1168 PolarHBondContact O-N 3.06Å |
| 1169 | E | 67.1 | Low | 65.3 | Low | 118 Ų | 118 | 89.7 Ų | 89.7 | 55% | 0.551 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79 | 131.7 | 171.9 | -69.4 | -162.5 | 119.9 | 0 | 0 | 110.5 | S1145 R1178 | S1145-E1169 PolarHBondContact OG-OE1 2.98Å; E1169-R1178 PolarHBondContact N-O 2.96Å; E1169-R1178 WeakPolarHBondContact O-CA 3.43Å; E1169-R1178 WeakPolarHBondContact O-CB 3.44Å; E1169-R1178 PolarHBondContact O-N 2.81Å |
| 1170 | C | 77.1 | Confident | 65.6 | Low | 19 Ų | 19 | 89.9 Ų | 89.9 | 13% | 0.128 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 152 | 169.9 | 50 | 0 | 0 | 0 | 0 | 111.5 | C1156 R1172 E1176 | C1156-C1170 HydrophobicContact CB-CB 3.54Å; C1156-C1170 WeakPolarHBondContact CB-SG 3.21Å; C1156-C1170 WeakPolarHBondContact SG-CB 3.44Å; C1156-C1170 CovalentContact SG-SG 2.01Å; C1156-C1170 PolarHBondContact SG-SG 3.48Å; C1170-R1172 PolarHBondContact O-N 3.16Å; C1170-E1176 WeakPolarHBondContact CA-O 3.36Å |
| 1171 | D | 76.6 | Confident | 66.3 | Low | 66 Ų | 66 | 91.9 Ų | 91.9 | 35% | 0.353 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 126.1 | 159.3 | 172.9 | -96 | 0 | 0 | 0 | 110.3 | F1173 T1174 G1175 E1176 | D1171-F1173 PolarHBondContact O-N 3.36Å; D1171-F1173 VanDerWaalsContact O-N 3.16Å; D1171-F1173 WeakPolarHBondContact OD1-CA 3.38Å; D1171-F1173 WeakPolarHBondContact OD1-CB 3.31Å; D1171-F1173 PolarHBondContact OD1-N 3.28Å; D1171-T1174 WeakPolarHBondContact CB-OG1 3.46Å; D1171-T1174 PolarHBondContact O-N 3.28Å; D1171-T1174 WeakPolarHBondContact OD1-CB 3.17Å; D1171-T1174 PolarHBondContact OD1-N 3.39Å; D1171-T1174 PolarHBondContact OD1-OG1 3.08Å; D1171-G1175 WeakPolarHBondContact O-CA 3.38Å; D1171-G1175 PolarHBondContact O-N 3.43Å; D1171-E1176 PolarHBondContact N-O 3.37Å |
| 1172 | R | 71 | Confident | 67.2 | Low | 100 Ų | 100 | 87.3 Ų | 87.3 | 38% | 0.377 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -21.9 | -173.3 | 69.8 | 179.3 | -177.4 | -162.9 | -2.7 | 114.8 | G1133 C1143 C1170 | G1133-R1172 VanDerWaalsContact CA-O 3.22Å; G1133-R1172 WeakPolarHBondContact CA-O 3.33Å; G1133-R1172 PolarHBondContact N-O 3.3Å; C1143-R1172 HydrophobicContact CB-CB 4.29Å; C1170-R1172 PolarHBondContact O-N 3.16Å |
| 1173 | F | 79.5 | Confident | 68.3 | Low | 89 Ų | 89 | 81.3 Ų | 81.3 | 39% | 0.39 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -36.6 | -177 | -63.5 | -65.7 | 0 | 0 | 0 | 112.1 | S1132 W1134 D1171 | S1132-F1173 WeakPolarHBondContact O-CD1 3.25Å; W1134-F1173 AromaticContact NE1-CE1 4Å; D1171-F1173 PolarHBondContact O-N 3.36Å; D1171-F1173 VanDerWaalsContact O-N 3.16Å; D1171-F1173 WeakPolarHBondContact OD1-CA 3.38Å; D1171-F1173 WeakPolarHBondContact OD1-CB 3.31Å; D1171-F1173 PolarHBondContact OD1-N 3.28Å |
| 1174 | T | 79.8 | Confident | 69.3 | Low | 87 Ų | 87 | 72.5 Ų | 72.5 | 53% | 0.534 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | -17.1 | -168.7 | 60.3 | 0 | 0 | 0 | 0 | 114.6 | W1148 D1171 E1176 | W1148-T1174 VanDerWaalsContact CE3-C 3.47Å; W1148-T1174 VanDerWaalsContact CZ3-O 3.26Å; W1148-T1174 WeakPolarHBondContact CZ3-O 3.23Å; D1171-T1174 WeakPolarHBondContact CB-OG1 3.46Å; D1171-T1174 PolarHBondContact O-N 3.28Å; D1171-T1174 WeakPolarHBondContact OD1-CB 3.17Å; D1171-T1174 PolarHBondContact OD1-N 3.39Å; D1171-T1174 PolarHBondContact OD1-OG1 3.08Å; T1174-E1176 VanDerWaalsContact C-N 3.29Å; T1174-E1176 PolarHBondContact O-N 2.03Å |
| 1175 | G | 73.5 | Confident | 70.6 | Confident | 14 Ų | 14 | 69.7 Ų | 69.7 | 14% | 0.144 | 37% | 0.365 | C | S | . | . | trans | 79 | 2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | D1171 C1177 | D1171-G1175 WeakPolarHBondContact O-CA 3.38Å; D1171-G1175 PolarHBondContact O-N 3.43Å; G1175-C1177 PolarHBondContact O-N 3.45Å | ||
| 1176 | E | 78.2 | Confident | 71.6 | Confident | 156 Ų | 156 | 69 Ų | 69 | 73% | 0.729 | 36% | 0.36 | S | S | * | . | trans | -65.7 | 121.4 | -178.2 | -171.7 | 172.9 | -173.5 | 0 | 0 | 111 | C1170 D1171 T1174 R1178 | C1170-E1176 WeakPolarHBondContact CA-O 3.36Å; D1171-E1176 PolarHBondContact N-O 3.37Å; T1174-E1176 VanDerWaalsContact C-N 3.29Å; T1174-E1176 PolarHBondContact O-N 2.03Å; E1176-R1178 PolarHBondContact O-N 3.09Å | ||
| 1177 | C | 74.9 | Confident | 72.5 | Confident | 23 Ų | 23 | 68.5 Ų | 68.5 | 16% | 0.155 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 117.2 | -176.1 | -71 | 0 | 0 | 0 | 0 | 112.2 | C1158 G1175 | C1158-C1177 WeakPolarHBondContact CA-SG 3.46Å; C1158-C1177 HydrophobicContact CB-CB 3.79Å; C1158-C1177 WeakPolarHBondContact CB-SG 2.93Å; C1158-C1177 VanDerWaalsContact SG-CA 3.54Å; C1158-C1177 WeakPolarHBondContact SG-CB 3.38Å; C1158-C1177 CovalentContact SG-SG 2.04Å; C1158-C1177 PolarHBondContact SG-SG 3.17Å; G1175-C1177 PolarHBondContact O-N 3.45Å |
| 1178 | R | 77.5 | Confident | 73.3 | Confident | 206 Ų | 206 | 66.8 Ų | 66.8 | 78% | 0.777 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 97.9 | 172.6 | -158 | -179.9 | -165.2 | -163.9 | 4.4 | 109 | E1169 E1176 | E1169-R1178 PolarHBondContact N-O 2.96Å; E1169-R1178 WeakPolarHBondContact O-CA 3.43Å; E1169-R1178 WeakPolarHBondContact O-CB 3.44Å; E1169-R1178 PolarHBondContact O-N 2.81Å; E1176-R1178 PolarHBondContact O-N 3.09Å |
| 1179 | C | 69.7 | Low | 73.8 | Confident | 25 Ų | 25 | 69.6 Ų | 69.6 | 17% | 0.169 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -68 | 145 | -168.5 | -59.3 | 0 | 0 | 0 | 0 | 113.7 | F1183 C1188 | C1179-F1183 HydrophobicContact CB-CB 4.25Å; C1179-C1188 WeakPolarHBondContact CA-SG 3.46Å; C1179-C1188 HydrophobicContact CB-CB 3.81Å; C1179-C1188 WeakPolarHBondContact CB-SG 3.31Å; C1179-C1188 WeakPolarHBondContact SG-CA 3.45Å; C1179-C1188 WeakPolarHBondContact SG-CB 3.21Å; C1179-C1188 CovalentContact SG-SG 2.04Å; C1179-C1188 PolarHBondContact SG-SG 3.05Å |
| 1180 | P | 65.6 | Low | 74.1 | Confident | 40 Ų | 40 | 67.9 Ų | 67.9 | 26% | 0.26 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 159.3 | 168 | -11.3 | 26.4 | 0 | 0 | 0 | 109.5 | G1182 F1183 | P1180-G1182 PolarHBondContact O-N 3.14Å; P1180-F1183 HydrophobicContact CB-CD2 4.14Å; P1180-F1183 HydrophobicContact CG-CD2 4.09Å; P1180-F1183 PolarHBondContact O-N 2.84Å |
| 1181 | Q | 73.2 | Confident | 73.8 | Confident | 108 Ų | 108 | 73 Ų | 73 | 51% | 0.505 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 133.7 | 165.3 | -61.6 | 179.2 | 86.8 | 0 | 0 | 108.4 | V1217 | Q1181-V1217 HydrophobicContact CB-CG1 3.97Å; Q1181-V1217 WeakPolarHBondContact O-CG2 3.4Å |
| 1182 | G | 73.1 | Confident | 73.8 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95.6 | -3.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | P1180 C1192 G1198 P1216 | P1180-G1182 PolarHBondContact O-N 3.14Å; G1182-C1192 WeakPolarHBondContact CA-SG 3.42Å; G1182-C1192 PolarHBondContact O-N 3.22Å; G1182-C1192 PolarHBondContact O-SG 3.48Å; G1182-C1192 VanDerWaalsContact O-SG 3.37Å; G1182-G1198 PolarHBondContact N-O 3.14Å; G1182-P1216 WeakPolarHBondContact CA-O 3.03Å; G1182-P1216 PolarHBondContact N-O 2.81Å; G1182-P1216 VanDerWaalsContact O-CB 3.27Å; G1182-P1216 WeakPolarHBondContact O-CB 3.43Å |
| 1183 | F | 74.1 | Confident | 74 | Confident | 28 Ų | 28 | 68.8 Ų | 68.8 | 12% | 0.123 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 156.9 | 175.5 | -62.3 | -98.9 | 0 | 0 | 0 | 112 | C1179 P1180 C1188 D1190 K1191 | C1179-F1183 HydrophobicContact CB-CB 4.25Å; P1180-F1183 HydrophobicContact CB-CD2 4.14Å; P1180-F1183 HydrophobicContact CG-CD2 4.09Å; P1180-F1183 PolarHBondContact O-N 2.84Å; F1183-C1188 HydrophobicContact CB-CB 4.02Å; F1183-C1188 VanDerWaalsContact CD1-O 3.28Å; F1183-C1188 WeakPolarHBondContact CD1-O 3.49Å; F1183-D1190 CarbonylContact C-O 3.58Å; F1183-D1190 WeakPolarHBondContact CA-O 3.42Å; F1183-K1191 HydrophobicContact CD1-CG 3.68Å; F1183-K1191 HydrophobicContact CE1-CD 4.08Å; F1183-K1191 HydrophobicContact CE1-CG 3.42Å; F1183-K1191 VanDerWaalsContact CE1-CG 3.42Å; F1183-K1191 HydrophobicContact CZ-CD 4.4Å; F1183-K1191 HydrophobicContact CZ-CG 4.09Å |
| 1184 | T | 76.9 | Confident | 73.7 | Confident | 46 Ų | 46 | 71.3 Ų | 71.3 | 28% | 0.282 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 179.9 | 177.4 | -165.2 | 0 | 0 | 0 | 0 | 111 | C1188 Q1189 D1190 | T1184-C1188 CarbonylContact O-C 3.5Å; T1184-C1188 VanDerWaalsContact O-C 3.27Å; T1184-C1188 VanDerWaalsContact O-CA 3.26Å; T1184-C1188 WeakPolarHBondContact O-CA 3.02Å; T1184-Q1189 PolarHBondContact O-N 3.44Å; T1184-D1190 HydrophobicContact CG2-CB 3.96Å; T1184-D1190 PolarHBondContact N-O 3.19Å; T1184-D1190 PolarHBondContact O-N 2.64Å; T1184-D1190 VanDerWaalsContact O-N 3.1Å |
| 1185 | G | 73.3 | Confident | 73.6 | Confident | 21 Ų | 21 | 69 Ų | 69 | 22% | 0.216 | 37% | 0.369 | C | S | . | . | S | Bend | trans | 84.2 | 159.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R1187 C1188 | G1185-R1187 PolarHBondContact O-N 3.39Å; G1185-R1187 VanDerWaalsContact O-N 3.08Å; G1185-C1188 PolarHBondContact O-N 3.33Å |
| 1186 | P | 72.8 | Confident | 74 | Confident | 115 Ų | 115 | 73.6 Ų | 73.6 | 75% | 0.747 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -11.9 | -170.7 | 27.2 | -36.9 | 0 | 0 | 0 | 115.1 | ||
| 1187 | R | 72.7 | Confident | 74.3 | Confident | 134 Ų | 134 | 68.9 Ų | 68.9 | 51% | 0.506 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | 13.4 | 173.1 | -75 | -168.4 | 171.3 | 128.5 | -5.7 | 112.4 | Q1157 C1158 S1159 G1185 Q1189 | Q1157-R1187 HydrophobicContact CB-CG 4.24Å; Q1157-R1187 CarbonylContact O-C 3.53Å; Q1157-R1187 WeakPolarHBondContact O-CA 3.23Å; Q1157-R1187 WeakPolarHBondContact O-CB 3.06Å; Q1157-R1187 WeakPolarHBondContact O-CG 3.45Å; C1158-R1187 CarbonylContact C-O 3.5Å; C1158-R1187 WeakPolarHBondContact CA-O 3.06Å; S1159-R1187 PolarHBondContact N-O 2.96Å; S1159-R1187 VanDerWaalsContact N-O 3.13Å; G1185-R1187 PolarHBondContact O-N 3.39Å; G1185-R1187 VanDerWaalsContact O-N 3.08Å; R1187-Q1189 HydrophobicContact CB-CB 4.1Å; R1187-Q1189 PolarHBondContact O-N 3.05Å |
| 1188 | C | 72.8 | Confident | 74.1 | Confident | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.007 | 35% | 0.351 | C | S | . | . | S | Bend | trans | 50 | 28.2 | -167.4 | -47.6 | 0 | 0 | 0 | 0 | 112.7 | C1158 C1179 F1183 T1184 G1185 D1190 | C1158-C1188 WeakPolarHBondContact O-CB 3.02Å; C1179-C1188 WeakPolarHBondContact CA-SG 3.46Å; C1179-C1188 HydrophobicContact CB-CB 3.81Å; C1179-C1188 WeakPolarHBondContact CB-SG 3.31Å; C1179-C1188 WeakPolarHBondContact SG-CA 3.45Å; C1179-C1188 WeakPolarHBondContact SG-CB 3.21Å; C1179-C1188 CovalentContact SG-SG 2.04Å; C1179-C1188 PolarHBondContact SG-SG 3.05Å; F1183-C1188 HydrophobicContact CB-CB 4.02Å; F1183-C1188 VanDerWaalsContact CD1-O 3.28Å; F1183-C1188 WeakPolarHBondContact CD1-O 3.49Å; T1184-C1188 CarbonylContact O-C 3.5Å; T1184-C1188 VanDerWaalsContact O-C 3.27Å; T1184-C1188 VanDerWaalsContact O-CA 3.26Å; T1184-C1188 WeakPolarHBondContact O-CA 3.02Å; G1185-C1188 PolarHBondContact O-N 3.33Å; C1188-D1190 VanDerWaalsContact C-N 3.34Å |
| 1189 | Q | 71.6 | Confident | 73.7 | Confident | 65 Ų | 65 | 61.3 Ų | 61.3 | 30% | 0.304 | 34% | 0.336 | S | S | . | . | trans | -79.2 | -22.2 | -169.8 | 77.3 | -69.1 | -18.3 | 0 | 0 | 112.5 | A1160 T1184 R1187 | A1160-Q1189 HydrophobicContact CB-CB 4.14Å; T1184-Q1189 PolarHBondContact O-N 3.44Å; R1187-Q1189 HydrophobicContact CB-CB 4.1Å; R1187-Q1189 PolarHBondContact O-N 3.05Å | ||
| 1190 | D | 72.8 | Confident | 73.7 | Confident | 82 Ų | 82 | 64.1 Ų | 64.1 | 44% | 0.439 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 109.6 | -179.9 | -56.5 | -42.4 | 0 | 0 | 0 | 108.4 | F1183 T1184 C1188 | F1183-D1190 CarbonylContact C-O 3.58Å; F1183-D1190 WeakPolarHBondContact CA-O 3.42Å; T1184-D1190 HydrophobicContact CG2-CB 3.96Å; T1184-D1190 PolarHBondContact N-O 3.19Å; T1184-D1190 PolarHBondContact O-N 2.64Å; T1184-D1190 VanDerWaalsContact O-N 3.1Å; C1188-D1190 VanDerWaalsContact C-N 3.34Å |
| 1191 | K | 70.1 | Confident | 74.3 | Confident | 126 Ų | 126 | 62.5 Ų | 62.5 | 55% | 0.548 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 148.3 | 162.5 | -80.5 | -173 | 174.4 | -175.8 | 0 | 109 | F1183 | F1183-K1191 HydrophobicContact CD1-CG 3.68Å; F1183-K1191 HydrophobicContact CE1-CD 4.08Å; F1183-K1191 HydrophobicContact CE1-CG 3.42Å; F1183-K1191 VanDerWaalsContact CE1-CG 3.42Å; F1183-K1191 HydrophobicContact CZ-CD 4.4Å; F1183-K1191 HydrophobicContact CZ-CG 4.09Å |
| 1192 | C | 76.8 | Confident | 74.6 | Confident | 11 Ų | 11 | 64 Ų | 64 | 7% | 0.074 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -51.2 | 131.6 | -177.5 | -68.1 | 0 | 0 | 0 | 0 | 111.8 | G1182 R1196 C1201 P1216 | G1182-C1192 WeakPolarHBondContact CA-SG 3.42Å; G1182-C1192 PolarHBondContact O-N 3.22Å; G1182-C1192 PolarHBondContact O-SG 3.48Å; G1182-C1192 VanDerWaalsContact O-SG 3.37Å; C1192-R1196 HydrophobicContact CB-CB 4.35Å; C1192-R1196 WeakPolarHBondContact CB-O 3.44Å; C1192-C1201 WeakPolarHBondContact CA-SG 3.18Å; C1192-C1201 HydrophobicContact CB-CB 3.67Å; C1192-C1201 WeakPolarHBondContact CB-SG 3.39Å; C1192-C1201 WeakPolarHBondContact SG-CA 3.31Å; C1192-C1201 WeakPolarHBondContact SG-CB 3.22Å; C1192-C1201 CovalentContact SG-SG 2.03Å; C1192-C1201 PolarHBondContact SG-SG 2.03Å; C1192-P1216 HydrophobicContact CB-CB 4.14Å |
| 1193 | P | 75.2 | Confident | 74.8 | Confident | 68 Ų | 68 | 68.1 Ų | 68.1 | 44% | 0.442 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 147.6 | -174.9 | 26.2 | -35.1 | 0 | 0 | 0 | 110 | G1195 R1196 | P1193-G1195 PolarHBondContact O-N 3.44Å; P1193-R1196 HydrophobicContact CG-CB 4.44Å; P1193-R1196 PolarHBondContact O-N 3.11Å |
| 1194 | P | 72.3 | Confident | 75.1 | Confident | 141 Ų | 141 | 70.3 Ų | 70.3 | 92% | 0.916 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.7 | 122.3 | -170.3 | -31 | 35.9 | 0 | 0 | 0 | 113.5 | ||
| 1195 | G | 77.9 | Confident | 75 | Confident | 39 Ų | 39 | 69.5 Ų | 69.5 | 40% | 0.402 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.2 | 4.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | P1193 S1204 C1205 | P1193-G1195 PolarHBondContact O-N 3.44Å; G1195-S1204 CarbonylContact O-C 3.56Å; G1195-S1204 VanDerWaalsContact O-CA 3.29Å; G1195-S1204 WeakPolarHBondContact O-CA 3.31Å; G1195-C1205 PolarHBondContact O-N 2.97Å |
| 1196 | R | 83.4 | Confident | 75.4 | Confident | 110 Ų | 110 | 72 Ų | 72 | 42% | 0.415 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 151.9 | 173.7 | -69.4 | -176 | 166.2 | -79.9 | -6.9 | 113.2 | C1192 P1193 C1201 K1202 L1203 | C1192-R1196 HydrophobicContact CB-CB 4.35Å; C1192-R1196 WeakPolarHBondContact CB-O 3.44Å; P1193-R1196 HydrophobicContact CG-CB 4.44Å; P1193-R1196 PolarHBondContact O-N 3.11Å; R1196-C1201 HydrophobicContact CB-CB 4.18Å; R1196-C1201 WeakPolarHBondContact CD-O 3.23Å; R1196-C1201 PolarHBondContact NH1-O 2.97Å; R1196-K1202 PolarHBondContact NH1-O 2.8Å; R1196-L1203 VanDerWaalsContact CA-O 3.3Å; R1196-L1203 WeakPolarHBondContact CA-O 3.32Å; R1196-L1203 WeakPolarHBondContact CB-O 3.32Å |
| 1197 | Y | 82.9 | Confident | 75.6 | Confident | 58 Ų | 58 | 68.1 Ų | 68.1 | 23% | 0.227 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 176.7 | -179.5 | 80.4 | -89 | 0 | 0 | 0 | 113.1 | C1201 K1202 L1203 S1204 P1216 T1218 | Y1197-C1201 CarbonylContact O-C 3.53Å; Y1197-C1201 WeakPolarHBondContact O-CA 3.39Å; Y1197-K1202 PolarHBondContact O-N 3.26Å; Y1197-L1203 HydrophobicContact CD1-CB 3.61Å; Y1197-L1203 HydrophobicContact CD2-CB 4.01Å; Y1197-L1203 HydrophobicContact CD2-CD1 3.91Å; Y1197-L1203 HydrophobicContact CE1-CB 3.45Å; Y1197-L1203 VanDerWaalsContact CE1-CB 3.45Å; Y1197-L1203 HydrophobicContact CE1-CD1 4.4Å; Y1197-L1203 HydrophobicContact CE2-CB 3.88Å; Y1197-L1203 HydrophobicContact CE2-CD1 3.36Å; Y1197-L1203 HydrophobicContact CE2-CG 4.25Å; Y1197-L1203 HydrophobicContact CG-CB 3.9Å; Y1197-L1203 PolarHBondContact N-O 2.91Å; Y1197-L1203 WeakPolarHBondContact O-CB 3.03Å; Y1197-L1203 PolarHBondContact O-N 3.08Å; Y1197-S1204 WeakPolarHBondContact CE1-O 3.47Å; Y1197-P1216 CarbonylContact C-O 3.56Å; Y1197-P1216 VanDerWaalsContact CA-O 3.24Å; Y1197-P1216 WeakPolarHBondContact CA-O 3.41Å; Y1197-P1216 VanDerWaalsContact CB-O 3.32Å; Y1197-P1216 WeakPolarHBondContact CB-O 3.17Å; Y1197-T1218 VanDerWaalsContact CD2-C 3.45Å; Y1197-T1218 VanDerWaalsContact CE2-O 3.23Å; Y1197-T1218 WeakPolarHBondContact CE2-O 3.38Å |
| 1198 | G | 71.3 | Confident | 76 | Confident | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.01 | 37% | 0.373 | C | S | . | . | S | Bend | trans | 83.7 | -172.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G1182 C1201 P1216 | G1182-G1198 PolarHBondContact N-O 3.14Å; G1198-C1201 PolarHBondContact O-N 3.09Å; G1198-P1216 PolarHBondContact N-O 2.87Å |
| 1199 | S | 68.8 | Low | 76.2 | Confident | 68 Ų | 68 | 71.1 Ų | 71.1 | 48% | 0.476 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -64.6 | 135.3 | 175.4 | 46.3 | 0 | 0 | 0 | 0 | 111.5 | C1201 K1202 | S1199-C1201 PolarHBondContact O-N 2.96Å; S1199-K1202 PolarHBondContact O-N 2.85Å |
| 1200 | D | 71.1 | Confident | 76.3 | Confident | 84 Ų | 84 | 73.9 Ų | 73.9 | 45% | 0.449 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | 49.1 | 23.2 | -170.3 | -50 | -42.8 | 0 | 0 | 0 | 114.6 | K1202 | D1200-K1202 HydrophobicContact CB-CD 3.92Å; D1200-K1202 HydrophobicContact CB-CG 4.12Å; D1200-K1202 PolarHBondContact O-N 2.95Å; D1200-K1202 WeakPolarHBondContact OD2-CE 3.29Å; D1200-K1202 IonicContact OD2-NZ 3.44Å; D1200-K1202 PolarHBondContact OD2-NZ 3.01Å |
| 1201 | C | 76.3 | Confident | 76.1 | Confident | 7 Ų | 7 | 73 Ų | 73 | 5% | 0.047 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | 57.1 | 29.6 | -179.9 | -49.9 | 0 | 0 | 0 | 0 | 114.6 | C1192 R1196 Y1197 G1198 S1199 L1203 | C1192-C1201 WeakPolarHBondContact CA-SG 3.18Å; C1192-C1201 HydrophobicContact CB-CB 3.67Å; C1192-C1201 WeakPolarHBondContact CB-SG 3.39Å; C1192-C1201 WeakPolarHBondContact SG-CA 3.31Å; C1192-C1201 WeakPolarHBondContact SG-CB 3.22Å; C1192-C1201 CovalentContact SG-SG 2.03Å; C1192-C1201 PolarHBondContact SG-SG 2.03Å; R1196-C1201 HydrophobicContact CB-CB 4.18Å; R1196-C1201 WeakPolarHBondContact CD-O 3.23Å; R1196-C1201 PolarHBondContact NH1-O 2.97Å; Y1197-C1201 CarbonylContact O-C 3.53Å; Y1197-C1201 WeakPolarHBondContact O-CA 3.39Å; G1198-C1201 PolarHBondContact O-N 3.09Å; S1199-C1201 PolarHBondContact O-N 2.96Å; C1201-L1203 PolarHBondContact O-N 3.44Å |
| 1202 | K | 80.1 | Confident | 76.2 | Confident | 139 Ų | 139 | 68.1 Ų | 68.1 | 60% | 0.604 | 40% | 0.403 | S | S | * | . | trans | -73.4 | -25.5 | -172.9 | -76.7 | 163.1 | 176.8 | 159.1 | 0 | 113.8 | R1196 Y1197 S1199 D1200 | R1196-K1202 PolarHBondContact NH1-O 2.8Å; Y1197-K1202 PolarHBondContact O-N 3.26Å; S1199-K1202 PolarHBondContact O-N 2.85Å; D1200-K1202 HydrophobicContact CB-CD 3.92Å; D1200-K1202 HydrophobicContact CB-CG 4.12Å; D1200-K1202 PolarHBondContact O-N 2.95Å; D1200-K1202 WeakPolarHBondContact OD2-CE 3.29Å; D1200-K1202 IonicContact OD2-NZ 3.44Å; D1200-K1202 PolarHBondContact OD2-NZ 3.01Å | ||
| 1203 | L | 77.3 | Confident | 76.2 | Confident | 86 Ų | 86 | 76.5 Ų | 76.5 | 45% | 0.45 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 171.4 | -178.2 | -53.4 | 175.8 | 0 | 0 | 0 | 111.5 | R1196 Y1197 C1201 | R1196-L1203 VanDerWaalsContact CA-O 3.3Å; R1196-L1203 WeakPolarHBondContact CA-O 3.32Å; R1196-L1203 WeakPolarHBondContact CB-O 3.32Å; Y1197-L1203 HydrophobicContact CD1-CB 3.61Å; Y1197-L1203 HydrophobicContact CD2-CB 4.01Å; Y1197-L1203 HydrophobicContact CD2-CD1 3.91Å; Y1197-L1203 HydrophobicContact CE1-CB 3.45Å; Y1197-L1203 VanDerWaalsContact CE1-CB 3.45Å; Y1197-L1203 HydrophobicContact CE1-CD1 4.4Å; Y1197-L1203 HydrophobicContact CE2-CB 3.88Å; Y1197-L1203 HydrophobicContact CE2-CD1 3.36Å; Y1197-L1203 HydrophobicContact CE2-CG 4.25Å; Y1197-L1203 HydrophobicContact CG-CB 3.9Å; Y1197-L1203 PolarHBondContact N-O 2.91Å; Y1197-L1203 WeakPolarHBondContact O-CB 3.03Å; Y1197-L1203 PolarHBondContact O-N 3.08Å; C1201-L1203 PolarHBondContact O-N 3.44Å |
| 1204 | S | 81.1 | Confident | 76.2 | Confident | 75 Ų | 75 | 74.3 Ų | 74.3 | 52% | 0.524 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 136.7 | -176 | -61.3 | 0 | 0 | 0 | 0 | 112.2 | G1195 Y1197 | G1195-S1204 CarbonylContact O-C 3.56Å; G1195-S1204 VanDerWaalsContact O-CA 3.29Å; G1195-S1204 WeakPolarHBondContact O-CA 3.31Å; Y1197-S1204 WeakPolarHBondContact CE1-O 3.47Å |
| 1205 | C | 74.1 | Confident | 76.2 | Confident | 29 Ų | 29 | 70 Ų | 70 | 20% | 0.196 | 39% | 0.388 | C | S | . | . | trans | -82.3 | 140.5 | -161.4 | -56.9 | 0 | 0 | 0 | 0 | 113.9 | G1195 C1207 C1214 | G1195-C1205 PolarHBondContact O-N 2.97Å; C1205-C1207 PolarHBondContact O-N 2.83Å; C1205-C1214 HydrophobicContact CB-CB 3.46Å; C1205-C1214 VanDerWaalsContact CB-CB 3.46Å; C1205-C1214 WeakPolarHBondContact CB-SG 3.5Å; C1205-C1214 WeakPolarHBondContact SG-CB 3.43Å; C1205-C1214 CovalentContact SG-SG 2.02Å; C1205-C1214 PolarHBondContact SG-SG 2.89Å | ||
| 1206 | P | 81.4 | Confident | 76 | Confident | 74 Ų | 74 | 69.8 Ų | 69.8 | 48% | 0.481 | 38% | 0.38 | S | S | . | . | trans | -89.5 | 8.2 | -172.8 | 36.6 | -37.6 | 0 | 0 | 0 | 115.2 | T1231 | P1206-T1231 HydrophobicContact CB-CG2 4.01Å; P1206-T1231 HydrophobicContact CG-CG2 4.31Å; P1206-T1231 WeakPolarHBondContact O-CB 3.48Å; P1206-T1231 WeakPolarHBondContact O-CG2 3.39Å | ||
| 1207 | C | 78.5 | Confident | 75.6 | Confident | 32 Ų | 32 | 67 Ų | 67 | 22% | 0.216 | 37% | 0.374 | C | S | . | . | trans | -72.7 | 131.3 | -166.2 | -39.7 | 0 | 0 | 0 | 0 | 113.5 | C1205 S1212 C1221 | C1205-C1207 PolarHBondContact O-N 2.83Å; C1207-S1212 WeakPolarHBondContact CB-OG 3.24Å; C1207-C1221 WeakPolarHBondContact CA-SG 3.46Å; C1207-C1221 HydrophobicContact CB-CB 3.8Å; C1207-C1221 WeakPolarHBondContact CB-SG 3.38Å; C1207-C1221 PolarHBondContact N-SG 3.27Å; C1207-C1221 WeakPolarHBondContact SG-CB 3.01Å; C1207-C1221 CovalentContact SG-SG 2.03Å; C1207-C1221 PolarHBondContact SG-SG 3.14Å | ||
| 1208 | Q | 81.3 | Confident | 75.3 | Confident | 130 Ų | 130 | 68 Ų | 68 | 61% | 0.607 | 39% | 0.387 | S | S | * | . | trans | -90.9 | -19.6 | -172.8 | -66.3 | -174.9 | 44.4 | 0 | 0 | 115.1 | T1231 | Q1208-T1231 PolarHBondContact N-O 3.3Å; Q1208-T1231 PolarHBondContact NE2-OG1 3.47Å | ||
| 1209 | K | 75.5 | Confident | 75.5 | Confident | 68 Ų | 68 | 68.3 Ų | 68.3 | 30% | 0.296 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -101.7 | 130 | -171.4 | -75.9 | -71 | 173.7 | 165.8 | 0 | 113.4 | G1211 S1212 P1224 W1227 C1232 | K1209-G1211 PolarHBondContact O-N 2.82Å; K1209-S1212 WeakPolarHBondContact O-CB 3.23Å; K1209-S1212 PolarHBondContact O-N 3Å; K1209-S1212 PolarHBondContact O-OG 2.6Å; K1209-P1224 HydrophobicContact CB-CG 4.39Å; K1209-W1227 HydrophobicContact CD-CD2 4.22Å; K1209-W1227 HydrophobicContact CD-CE3 4.07Å; K1209-W1227 HydrophobicContact CD-CH2 4.44Å; K1209-W1227 HydrophobicContact CD-CZ2 4.48Å; K1209-W1227 HydrophobicContact CD-CZ3 4.21Å; K1209-W1227 HydrophobicContact CG-CD2 4.2Å; K1209-W1227 HydrophobicContact CG-CE3 4.09Å; K1209-C1232 HydrophobicContact CB-CB 4.28Å; K1209-C1232 HydrophobicContact CG-CB 4.37Å; K1209-C1232 WeakPolarHBondContact CG-O 3.27Å |
| 1210 | P | 74.7 | Confident | 76 | Confident | 123 Ų | 123 | 67.7 Ų | 67.7 | 80% | 0.799 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 133 | 167.3 | -24.8 | 34.6 | 0 | 0 | 0 | 110.7 | ||
| 1211 | G | 69 | Low | 76.4 | Confident | 63 Ų | 63 | 64.2 Ų | 64.2 | 65% | 0.649 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88 | -11.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | K1209 R1213 | K1209-G1211 PolarHBondContact O-N 2.82Å; G1211-R1213 PolarHBondContact O-N 3.42Å |
| 1212 | S | 71.8 | Confident | 76.6 | Confident | 25 Ų | 25 | 68 Ų | 68 | 18% | 0.175 | 39% | 0.388 | C | S | . | . | trans | -64 | 133.4 | 169.6 | 66.7 | 0 | 0 | 0 | 0 | 110.9 | C1207 K1209 E1222 | C1207-S1212 WeakPolarHBondContact CB-OG 3.24Å; K1209-S1212 WeakPolarHBondContact O-CB 3.23Å; K1209-S1212 PolarHBondContact O-N 3Å; K1209-S1212 PolarHBondContact O-OG 2.6Å; S1212-E1222 CarbonylContact C-O 3.58Å; S1212-E1222 WeakPolarHBondContact CA-O 3.2Å | ||
| 1213 | R | 75.7 | Confident | 76.6 | Confident | 186 Ų | 186 | 61.6 Ų | 61.6 | 70% | 0.702 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 110.6 | 175.1 | -73.4 | -179.3 | 166.4 | -150.6 | -4.9 | 108.8 | G1211 D1215 E1222 | G1211-R1213 PolarHBondContact O-N 3.42Å; R1213-D1215 PolarHBondContact O-N 3.43Å; R1213-E1222 HydrophobicContact CB-CB 4.2Å; R1213-E1222 PolarHBondContact N-O 3.46Å; R1213-E1222 VanDerWaalsContact O-CA 3.29Å; R1213-E1222 WeakPolarHBondContact O-CA 3.21Å; R1213-E1222 WeakPolarHBondContact O-CB 3.37Å; R1213-E1222 PolarHBondContact O-N 2.81Å |
| 1214 | C | 75.9 | Confident | 76.5 | Confident | 23 Ų | 23 | 58.4 Ų | 58.4 | 16% | 0.155 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 129 | 165.2 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | C1205 P1216 | C1205-C1214 HydrophobicContact CB-CB 3.46Å; C1205-C1214 VanDerWaalsContact CB-CB 3.46Å; C1205-C1214 WeakPolarHBondContact CB-SG 3.5Å; C1205-C1214 WeakPolarHBondContact SG-CB 3.43Å; C1205-C1214 CovalentContact SG-SG 2.02Å; C1205-C1214 PolarHBondContact SG-SG 2.89Å; C1214-P1216 VanDerWaalsContact O-CD 3.24Å; C1214-P1216 WeakPolarHBondContact O-CD 3.11Å |
| 1215 | D | 72.7 | Confident | 76.3 | Confident | 51 Ų | 51 | 57.5 Ų | 57.5 | 27% | 0.273 | 34% | 0.337 | S | S | . | . | trans | -60.2 | 116.5 | 165.9 | 172.8 | 11 | 0 | 0 | 0 | 108.5 | R1213 V1217 T1218 G1219 A1220 | R1213-D1215 PolarHBondContact O-N 3.43Å; D1215-V1217 PolarHBondContact O-N 2.93Å; D1215-V1217 WeakPolarHBondContact OD1-CB 3.48Å; D1215-V1217 PolarHBondContact OD1-N 2.91Å; D1215-T1218 VanDerWaalsContact OD2-CB 3.29Å; D1215-T1218 WeakPolarHBondContact OD2-CB 3.05Å; D1215-T1218 VanDerWaalsContact OD2-CG2 3.28Å; D1215-T1218 WeakPolarHBondContact OD2-CG2 3Å; D1215-T1218 PolarHBondContact OD2-N 2.98Å; D1215-T1218 VanDerWaalsContact OD2-N 3.12Å; D1215-T1218 PolarHBondContact OD2-OG1 3.15Å; D1215-G1219 WeakPolarHBondContact O-CA 3.32Å; D1215-G1219 PolarHBondContact O-N 2.8Å; D1215-A1220 HydrophobicContact CB-CB 4.43Å; D1215-A1220 WeakPolarHBondContact CB-O 3.41Å; D1215-A1220 PolarHBondContact N-O 2.96Å | ||
| 1216 | P | 73 | Confident | 76.5 | Confident | 34 Ų | 34 | 56.1 Ų | 56.1 | 22% | 0.221 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -31.1 | 178.3 | -24.8 | 37.1 | 0 | 0 | 0 | 112.7 | G1182 C1192 Y1197 G1198 C1214 | G1182-P1216 WeakPolarHBondContact CA-O 3.03Å; G1182-P1216 PolarHBondContact N-O 2.81Å; G1182-P1216 VanDerWaalsContact O-CB 3.27Å; G1182-P1216 WeakPolarHBondContact O-CB 3.43Å; C1192-P1216 HydrophobicContact CB-CB 4.14Å; Y1197-P1216 CarbonylContact C-O 3.56Å; Y1197-P1216 VanDerWaalsContact CA-O 3.24Å; Y1197-P1216 WeakPolarHBondContact CA-O 3.41Å; Y1197-P1216 VanDerWaalsContact CB-O 3.32Å; Y1197-P1216 WeakPolarHBondContact CB-O 3.17Å; G1198-P1216 PolarHBondContact N-O 2.87Å; C1214-P1216 VanDerWaalsContact O-CD 3.24Å; C1214-P1216 WeakPolarHBondContact O-CD 3.11Å |
| 1217 | V | 74.4 | Confident | 76.7 | Confident | 50 Ų | 50 | 54.6 Ų | 54.6 | 30% | 0.303 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -66.5 | -179.1 | -174.4 | 0 | 0 | 0 | 0 | 109.9 | Q1181 D1215 | Q1181-V1217 HydrophobicContact CB-CG1 3.97Å; Q1181-V1217 WeakPolarHBondContact O-CG2 3.4Å; D1215-V1217 PolarHBondContact O-N 2.93Å; D1215-V1217 WeakPolarHBondContact OD1-CB 3.48Å; D1215-V1217 PolarHBondContact OD1-N 2.91Å |
| 1218 | T | 77.6 | Confident | 76.8 | Confident | 81 Ų | 81 | 56.1 Ų | 56.1 | 50% | 0.497 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -18.3 | -166.7 | 67.5 | 0 | 0 | 0 | 0 | 114.6 | Y1197 D1215 A1220 | Y1197-T1218 VanDerWaalsContact CD2-C 3.45Å; Y1197-T1218 VanDerWaalsContact CE2-O 3.23Å; Y1197-T1218 WeakPolarHBondContact CE2-O 3.38Å; D1215-T1218 VanDerWaalsContact OD2-CB 3.29Å; D1215-T1218 WeakPolarHBondContact OD2-CB 3.05Å; D1215-T1218 VanDerWaalsContact OD2-CG2 3.28Å; D1215-T1218 WeakPolarHBondContact OD2-CG2 3Å; D1215-T1218 PolarHBondContact OD2-N 2.98Å; D1215-T1218 VanDerWaalsContact OD2-N 3.12Å; D1215-T1218 PolarHBondContact OD2-OG1 3.15Å; T1218-A1220 VanDerWaalsContact OG1-CB 3.24Å; T1218-A1220 WeakPolarHBondContact OG1-CB 3.43Å; T1218-A1220 PolarHBondContact OG1-N 2.03Å; T1218-A1220 VanDerWaalsContact OG1-N 3.16Å |
| 1219 | G | 76.1 | Confident | 76.6 | Confident | 6 Ų | 6 | 51 Ų | 51 | 6% | 0.062 | 30% | 0.298 | C | S | . | . | trans | 80.9 | -2.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | D1215 | D1215-G1219 WeakPolarHBondContact O-CA 3.32Å; D1215-G1219 PolarHBondContact O-N 2.8Å | ||
| 1220 | A | 78.2 | Confident | 76.6 | Confident | 55 Ų | 55 | 56.3 Ų | 56.3 | 46% | 0.455 | 32% | 0.323 | S | S | . | . | trans | -62 | 136.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | D1215 T1218 E1222 | D1215-A1220 HydrophobicContact CB-CB 4.43Å; D1215-A1220 WeakPolarHBondContact CB-O 3.41Å; D1215-A1220 PolarHBondContact N-O 2.96Å; T1218-A1220 VanDerWaalsContact OG1-CB 3.24Å; T1218-A1220 WeakPolarHBondContact OG1-CB 3.43Å; T1218-A1220 PolarHBondContact OG1-N 2.03Å; T1218-A1220 VanDerWaalsContact OG1-N 3.16Å; A1220-E1222 PolarHBondContact O-N 3.42Å | ||
| 1221 | C | 80.8 | Confident | 77 | Confident | 12 Ų | 12 | 51.8 Ų | 51.8 | 8% | 0.081 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 106.4 | -178.3 | -61.5 | 0 | 0 | 0 | 0 | 110.7 | C1207 C1223 E1230 C1232 | C1207-C1221 WeakPolarHBondContact CA-SG 3.46Å; C1207-C1221 HydrophobicContact CB-CB 3.8Å; C1207-C1221 WeakPolarHBondContact CB-SG 3.38Å; C1207-C1221 PolarHBondContact N-SG 3.27Å; C1207-C1221 WeakPolarHBondContact SG-CB 3.01Å; C1207-C1221 CovalentContact SG-SG 2.03Å; C1207-C1221 PolarHBondContact SG-SG 3.14Å; C1221-C1223 PolarHBondContact O-N 3.02Å; C1221-C1223 PolarHBondContact O-SG 2.9Å; C1221-C1223 VanDerWaalsContact O-SG 3.39Å; C1221-E1230 WeakPolarHBondContact CB-O 3.47Å; C1221-E1230 PolarHBondContact SG-O 3.02Å; C1221-E1230 VanDerWaalsContact SG-O 3.37Å; C1221-C1232 WeakPolarHBondContact CB-SG 3.05Å |
| 1222 | E | 78.4 | Confident | 77.5 | Confident | 87 Ų | 87 | 48.8 Ų | 48.8 | 41% | 0.407 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 107.8 | 165.3 | -159.9 | -172.6 | -149.7 | 0 | 0 | 108.6 | S1212 R1213 A1220 N1244 | S1212-E1222 CarbonylContact C-O 3.58Å; S1212-E1222 WeakPolarHBondContact CA-O 3.2Å; R1213-E1222 HydrophobicContact CB-CB 4.2Å; R1213-E1222 PolarHBondContact N-O 3.46Å; R1213-E1222 VanDerWaalsContact O-CA 3.29Å; R1213-E1222 WeakPolarHBondContact O-CA 3.21Å; R1213-E1222 WeakPolarHBondContact O-CB 3.37Å; R1213-E1222 PolarHBondContact O-N 2.81Å; A1220-E1222 PolarHBondContact O-N 3.42Å; E1222-N1244 WeakPolarHBondContact CA-OD1 3.27Å; E1222-N1244 WeakPolarHBondContact CG-ND2 3.44Å |
| 1223 | C | 80.8 | Confident | 78 | Confident | 4 Ų | 4 | 50.4 Ų | 50.4 | 3% | 0.027 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 140.1 | -170.4 | -60 | 0 | 0 | 0 | 0 | 111.8 | C1221 W1227 C1232 N1244 | C1221-C1223 PolarHBondContact O-N 3.02Å; C1221-C1223 PolarHBondContact O-SG 2.9Å; C1221-C1223 VanDerWaalsContact O-SG 3.39Å; C1223-W1227 HydrophobicContact CB-CB 4.08Å; C1223-W1227 WeakPolarHBondContact CB-O 3.26Å; C1223-C1232 WeakPolarHBondContact CA-SG 3.07Å; C1223-C1232 HydrophobicContact CB-CB 3.76Å; C1223-C1232 WeakPolarHBondContact CB-SG 3.07Å; C1223-C1232 WeakPolarHBondContact SG-CA 3.36Å; C1223-C1232 WeakPolarHBondContact SG-CB 3.5Å; C1223-C1232 CovalentContact SG-SG 2.04Å; C1223-C1232 PolarHBondContact SG-SG 3.32Å; C1223-N1244 PolarHBondContact N-OD1 3.38Å; C1223-N1244 PolarHBondContact O-N 2.81Å |
| 1224 | P | 75.7 | Confident | 78.2 | Confident | 19 Ų | 19 | 48 Ų | 48 | 12% | 0.123 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -61 | 158 | 177.3 | 29.2 | -30.9 | 0 | 0 | 0 | 108.6 | K1209 G1226 W1227 | K1209-P1224 HydrophobicContact CB-CG 4.39Å; P1224-G1226 PolarHBondContact O-N 2.95Å; P1224-G1226 VanDerWaalsContact O-N 3.17Å; P1224-W1227 HydrophobicContact CG-CB 4.31Å; P1224-W1227 HydrophobicContact CG-CG 4.2Å; P1224-W1227 PolarHBondContact O-N 3.27Å; P1224-W1227 VanDerWaalsContact O-N 3.08Å |
| 1225 | P | 76.7 | Confident | 78.3 | Confident | 55 Ų | 55 | 50.1 Ų | 50.1 | 36% | 0.357 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | 128.1 | -178.4 | -27.7 | 34.8 | 0 | 0 | 0 | 111.3 | G1242 T1243 E1260 | P1225-G1242 WeakPolarHBondContact CA-O 3Å; P1225-T1243 HydrophobicContact CG-CG2 4Å; P1225-E1260 HydrophobicContact CB-CB 4.36Å; P1225-E1260 WeakPolarHBondContact CB-O 3.29Å; P1225-E1260 WeakPolarHBondContact O-CA 3.03Å; P1225-E1260 WeakPolarHBondContact O-CB 3.45Å; P1225-E1260 VanDerWaalsContact O-CG 3.26Å; P1225-E1260 WeakPolarHBondContact O-CG 3.25Å |
| 1226 | G | 79.2 | Confident | 78.7 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.9 | 4.7 | 180 | 0 | 0 | 0 | 0 | 0 | 117.1 | P1224 P1235 C1236 G1242 H1259 | P1224-G1226 PolarHBondContact O-N 2.95Å; P1224-G1226 VanDerWaalsContact O-N 3.17Å; G1226-P1235 CarbonylContact O-C 3.52Å; G1226-P1235 VanDerWaalsContact O-CA 3.3Å; G1226-P1235 WeakPolarHBondContact O-CA 3.31Å; G1226-C1236 WeakPolarHBondContact CA-SG 3.26Å; G1226-C1236 PolarHBondContact O-N 3.1Å; G1226-G1242 PolarHBondContact N-O 2.86Å; G1226-G1242 VanDerWaalsContact N-O 3.07Å; G1226-H1259 WeakPolarHBondContact CA-ND1 3.11Å; G1226-H1259 WeakPolarHBondContact CA-O 3.01Å; G1226-H1259 PolarHBondContact N-O 3.41Å; G1226-H1259 PolarHBondContact O-ND1 2.04Å |
| 1227 | W | 84.2 | Confident | 78.9 | Confident | 42 Ų | 42 | 52.4 Ų | 52.4 | 16% | 0.159 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 153.2 | 179.7 | -59.7 | 81.5 | 0 | 0 | 0 | 112.9 | K1209 C1223 P1224 C1232 R1234 P1235 C1245 H1259 E1260 | K1209-W1227 HydrophobicContact CD-CD2 4.22Å; K1209-W1227 HydrophobicContact CD-CE3 4.07Å; K1209-W1227 HydrophobicContact CD-CH2 4.44Å; K1209-W1227 HydrophobicContact CD-CZ2 4.48Å; K1209-W1227 HydrophobicContact CD-CZ3 4.21Å; K1209-W1227 HydrophobicContact CG-CD2 4.2Å; K1209-W1227 HydrophobicContact CG-CE3 4.09Å; C1223-W1227 HydrophobicContact CB-CB 4.08Å; C1223-W1227 WeakPolarHBondContact CB-O 3.26Å; P1224-W1227 HydrophobicContact CG-CB 4.31Å; P1224-W1227 HydrophobicContact CG-CG 4.2Å; P1224-W1227 PolarHBondContact O-N 3.27Å; P1224-W1227 VanDerWaalsContact O-N 3.08Å; W1227-C1232 HydrophobicContact CB-CB 4.49Å; W1227-R1234 CarbonylContact C-O 3.29Å; W1227-R1234 VanDerWaalsContact CA-O 3.25Å; W1227-R1234 WeakPolarHBondContact CA-O 3.47Å; W1227-R1234 VanDerWaalsContact CE3-C 3.43Å; W1227-P1235 HydrophobicContact CE3-CB 4.39Å; W1227-P1235 HydrophobicContact CH2-CB 4.38Å; W1227-P1235 HydrophobicContact CZ3-CB 4.15Å; W1227-C1245 PolarHBondContact O-SG 3.19Å; W1227-H1259 AromaticContact NE1-CE1 3.96Å; W1227-E1260 PolarHBondContact NE1-OE1 3.44Å |
| 1228 | F | 82 | Confident | 78.9 | Confident | 64 Ų | 64 | 57.2 Ų | 57.2 | 28% | 0.281 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 177.9 | 174.4 | 87.5 | -76.3 | 0 | 0 | 0 | 112.4 | C1232 E1233 R1234 P1235 L1237 | F1228-C1232 CarbonylContact O-C 3.22Å; F1228-C1232 VanDerWaalsContact O-C 3.3Å; F1228-C1232 WeakPolarHBondContact O-CA 3.22Å; F1228-E1233 PolarHBondContact O-N 2.74Å; F1228-R1234 HydrophobicContact CD1-CB 3.72Å; F1228-R1234 HydrophobicContact CE1-CB 3.51Å; F1228-R1234 HydrophobicContact CE1-CG 4.4Å; F1228-R1234 HydrophobicContact CG-CB 4.42Å; F1228-R1234 HydrophobicContact CZ-CB 4.06Å; F1228-R1234 HydrophobicContact CZ-CG 4.49Å; F1228-R1234 PolarHBondContact N-O 2.7Å; F1228-R1234 PolarHBondContact O-N 3.29Å; F1228-P1235 VanDerWaalsContact CD1-O 3.27Å; F1228-P1235 WeakPolarHBondContact CD1-O 3.19Å; F1228-P1235 WeakPolarHBondContact CE1-O 3.28Å; F1228-L1237 HydrophobicContact CE1-CD2 4.28Å; F1228-L1237 HydrophobicContact CE1-CG 4.08Å; F1228-L1237 HydrophobicContact CZ-CD1 4.44Å; F1228-L1237 HydrophobicContact CZ-CD2 4.23Å; F1228-L1237 HydrophobicContact CZ-CG 4.09Å |
| 1229 | G | 75.8 | Confident | 78.7 | Confident | 22 Ų | 22 | 54.6 Ų | 54.6 | 23% | 0.227 | 30% | 0.295 | C | S | . | . | S | Bend | trans | 106.2 | 156.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | T1231 C1232 | G1229-T1231 PolarHBondContact O-N 3.37Å; G1229-C1232 PolarHBondContact O-N 2.87Å |
| 1230 | E | 76.4 | Confident | 79 | Confident | 180 Ų | 180 | 57.8 Ų | 57.8 | 84% | 0.841 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -26.8 | -178.2 | -73.9 | -174.1 | 125.7 | 0 | 0 | 112.9 | C1221 | C1221-E1230 WeakPolarHBondContact CB-O 3.47Å; C1221-E1230 PolarHBondContact SG-O 3.02Å; C1221-E1230 VanDerWaalsContact SG-O 3.37Å |
| 1231 | T | 82 | Confident | 79.3 | Confident | 28 Ų | 28 | 57.2 Ų | 57.2 | 17% | 0.172 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | 15.8 | 177.7 | 65.8 | 0 | 0 | 0 | 0 | 112.8 | P1206 Q1208 G1229 E1233 | P1206-T1231 HydrophobicContact CB-CG2 4.01Å; P1206-T1231 HydrophobicContact CG-CG2 4.31Å; P1206-T1231 WeakPolarHBondContact O-CB 3.48Å; P1206-T1231 WeakPolarHBondContact O-CG2 3.39Å; Q1208-T1231 PolarHBondContact N-O 3.3Å; Q1208-T1231 PolarHBondContact NE2-OG1 3.47Å; G1229-T1231 PolarHBondContact O-N 3.37Å; T1231-E1233 WeakPolarHBondContact CA-OE2 3.35Å; T1231-E1233 PolarHBondContact N-OE2 2.97Å; T1231-E1233 PolarHBondContact O-N 2.69Å; T1231-E1233 PolarHBondContact OG1-OE2 3.29Å |
| 1232 | C | 79.9 | Confident | 78.9 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | S | Bend | trans | 59.2 | 29.3 | -174.7 | -52.4 | 0 | 0 | 0 | 0 | 114.7 | K1209 C1221 C1223 W1227 F1228 G1229 R1234 | K1209-C1232 HydrophobicContact CB-CB 4.28Å; K1209-C1232 HydrophobicContact CG-CB 4.37Å; K1209-C1232 WeakPolarHBondContact CG-O 3.27Å; C1221-C1232 WeakPolarHBondContact CB-SG 3.05Å; C1223-C1232 WeakPolarHBondContact CA-SG 3.07Å; C1223-C1232 HydrophobicContact CB-CB 3.76Å; C1223-C1232 WeakPolarHBondContact CB-SG 3.07Å; C1223-C1232 WeakPolarHBondContact SG-CA 3.36Å; C1223-C1232 WeakPolarHBondContact SG-CB 3.5Å; C1223-C1232 CovalentContact SG-SG 2.04Å; C1223-C1232 PolarHBondContact SG-SG 3.32Å; W1227-C1232 HydrophobicContact CB-CB 4.49Å; F1228-C1232 CarbonylContact O-C 3.22Å; F1228-C1232 VanDerWaalsContact O-C 3.3Å; F1228-C1232 WeakPolarHBondContact O-CA 3.22Å; G1229-C1232 PolarHBondContact O-N 2.87Å; C1232-R1234 VanDerWaalsContact C-N 3.28Å; C1232-R1234 PolarHBondContact O-N 3.2Å |
| 1233 | E | 81.6 | Confident | 78.9 | Confident | 59 Ų | 59 | 55.4 Ų | 55.4 | 28% | 0.276 | 29% | 0.29 | S | S | . | . | trans | -77.4 | -5.6 | -171.8 | 74 | -65.5 | 156.4 | 0 | 0 | 114.9 | F1228 T1231 | F1228-E1233 PolarHBondContact O-N 2.74Å; T1231-E1233 WeakPolarHBondContact CA-OE2 3.35Å; T1231-E1233 PolarHBondContact N-OE2 2.97Å; T1231-E1233 PolarHBondContact O-N 2.69Å; T1231-E1233 PolarHBondContact OG1-OE2 3.29Å | ||
| 1234 | R | 80.1 | Confident | 78.5 | Confident | 137 Ų | 137 | 57.3 Ų | 57.3 | 52% | 0.517 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 141 | -172.4 | -49.7 | 179.3 | -168.1 | -133.7 | -2.6 | 112.1 | W1227 F1228 C1232 | W1227-R1234 CarbonylContact C-O 3.29Å; W1227-R1234 VanDerWaalsContact CA-O 3.25Å; W1227-R1234 WeakPolarHBondContact CA-O 3.47Å; W1227-R1234 VanDerWaalsContact CE3-C 3.43Å; F1228-R1234 HydrophobicContact CD1-CB 3.72Å; F1228-R1234 HydrophobicContact CE1-CB 3.51Å; F1228-R1234 HydrophobicContact CE1-CG 4.4Å; F1228-R1234 HydrophobicContact CG-CB 4.42Å; F1228-R1234 HydrophobicContact CZ-CB 4.06Å; F1228-R1234 HydrophobicContact CZ-CG 4.49Å; F1228-R1234 PolarHBondContact N-O 2.7Å; F1228-R1234 PolarHBondContact O-N 3.29Å; C1232-R1234 VanDerWaalsContact C-N 3.28Å; C1232-R1234 PolarHBondContact O-N 3.2Å |
| 1235 | P | 79.7 | Confident | 78.8 | Confident | 67 Ų | 67 | 57.2 Ų | 57.2 | 44% | 0.435 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 159 | 169 | 33.3 | -35.3 | 0 | 0 | 0 | 110.8 | G1226 W1227 F1228 | G1226-P1235 CarbonylContact O-C 3.52Å; G1226-P1235 VanDerWaalsContact O-CA 3.3Å; G1226-P1235 WeakPolarHBondContact O-CA 3.31Å; W1227-P1235 HydrophobicContact CE3-CB 4.39Å; W1227-P1235 HydrophobicContact CH2-CB 4.38Å; W1227-P1235 HydrophobicContact CZ3-CB 4.15Å; F1228-P1235 VanDerWaalsContact CD1-O 3.27Å; F1228-P1235 WeakPolarHBondContact CD1-O 3.19Å; F1228-P1235 WeakPolarHBondContact CE1-O 3.28Å |
| 1236 | C | 79.4 | Confident | 78.8 | Confident | 17 Ų | 17 | 62.3 Ų | 62.3 | 12% | 0.115 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -54.7 | 145 | 179.2 | -65.6 | 0 | 0 | 0 | 0 | 113.5 | G1226 F1240 C1245 H1259 | G1226-C1236 WeakPolarHBondContact CA-SG 3.26Å; G1226-C1236 PolarHBondContact O-N 3.1Å; C1236-F1240 VanDerWaalsContact CB-O 3.23Å; C1236-F1240 WeakPolarHBondContact CB-O 3.43Å; C1236-C1245 WeakPolarHBondContact CA-SG 3.05Å; C1236-C1245 HydrophobicContact CB-CB 3.85Å; C1236-C1245 WeakPolarHBondContact CB-SG 3.47Å; C1236-C1245 VanDerWaalsContact SG-CA 3.52Å; C1236-C1245 WeakPolarHBondContact SG-CB 3.27Å; C1236-C1245 CovalentContact SG-SG 2.02Å; C1236-C1245 PolarHBondContact SG-SG 3.03Å; C1236-H1259 HydrophobicContact CB-CB 4.07Å |
| 1237 | L | 77.6 | Confident | 78.9 | Confident | 116 Ų | 116 | 66.7 Ų | 66.7 | 61% | 0.607 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 145.7 | 169.4 | -62.5 | 176.2 | 0 | 0 | 0 | 110.2 | F1228 G1239 F1240 | F1228-L1237 HydrophobicContact CE1-CD2 4.28Å; F1228-L1237 HydrophobicContact CE1-CG 4.08Å; F1228-L1237 HydrophobicContact CZ-CD1 4.44Å; F1228-L1237 HydrophobicContact CZ-CD2 4.23Å; F1228-L1237 HydrophobicContact CZ-CG 4.09Å; L1237-G1239 PolarHBondContact O-N 2.91Å; L1237-F1240 PolarHBondContact O-N 3.17Å |
| 1238 | L | 75.2 | Confident | 78.7 | Confident | 150 Ų | 150 | 72.8 Ų | 72.8 | 79% | 0.785 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.1 | 128.7 | 178.9 | -70.6 | 164.8 | 0 | 0 | 0 | 111.2 | P1256 | L1238-P1256 HydrophobicContact CD2-CB 3.92Å; L1238-P1256 HydrophobicContact CD2-CG 3.93Å |
| 1239 | G | 73.8 | Confident | 78.1 | Confident | 27 Ų | 27 | 70.9 Ų | 70.9 | 28% | 0.278 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.6 | 2.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | L1237 R1248 C1249 | L1237-G1239 PolarHBondContact O-N 2.91Å; G1239-R1248 WeakPolarHBondContact O-CA 3.44Å; G1239-C1249 VanDerWaalsContact CA-SG 3.53Å; G1239-C1249 PolarHBondContact O-N 2.88Å |
| 1240 | F | 81.2 | Confident | 78 | Confident | 72 Ų | 72 | 73 Ų | 73 | 32% | 0.316 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 149.5 | 178.1 | -63.9 | -97.7 | 0 | 0 | 0 | 113.2 | C1236 L1237 C1245 Q1247 R1248 | C1236-F1240 VanDerWaalsContact CB-O 3.23Å; C1236-F1240 WeakPolarHBondContact CB-O 3.43Å; L1237-F1240 PolarHBondContact O-N 3.17Å; F1240-C1245 HydrophobicContact CB-CB 4.14Å; F1240-C1245 WeakPolarHBondContact CD1-O 3.37Å; F1240-Q1247 CarbonylContact C-O 3.53Å; F1240-Q1247 VanDerWaalsContact CA-O 3.26Å; F1240-Q1247 WeakPolarHBondContact CA-O 3.43Å; F1240-R1248 HydrophobicContact CD1-CG 3.79Å; F1240-R1248 HydrophobicContact CE1-CG 3.52Å; F1240-R1248 HydrophobicContact CG-CG 4.48Å; F1240-R1248 HydrophobicContact CZ-CG 4Å |
| 1241 | Y | 84.5 | Confident | 77.8 | Confident | 43 Ų | 43 | 64.9 Ų | 64.9 | 17% | 0.169 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 178.5 | -179.1 | 77.3 | -92.1 | 0 | 0 | 0 | 113.3 | C1245 K1246 Q1247 R1248 C1257 H1259 G1262 | Y1241-C1245 CarbonylContact O-C 3.28Å; Y1241-C1245 WeakPolarHBondContact O-CA 3.47Å; Y1241-K1246 PolarHBondContact O-N 3.1Å; Y1241-Q1247 HydrophobicContact CD1-CB 3.89Å; Y1241-Q1247 HydrophobicContact CD2-CB 4.02Å; Y1241-Q1247 HydrophobicContact CE1-CB 3.73Å; Y1241-Q1247 HydrophobicContact CE2-CB 3.84Å; Y1241-Q1247 HydrophobicContact CE2-CG 4.32Å; Y1241-Q1247 HydrophobicContact CG-CB 4.06Å; Y1241-Q1247 VanDerWaalsContact CZ-OE1 3.25Å; Y1241-Q1247 PolarHBondContact N-O 2.02Å; Y1241-Q1247 PolarHBondContact O-N 2.89Å; Y1241-Q1247 VanDerWaalsContact O-N 3.11Å; Y1241-Q1247 PolarHBondContact OH-OE1 3.12Å; Y1241-R1248 VanDerWaalsContact CE1-O 3.24Å; Y1241-R1248 WeakPolarHBondContact CE1-O 3.36Å; Y1241-C1257 WeakPolarHBondContact CD1-SG 3.07Å; Y1241-H1259 VanDerWaalsContact CA-O 3.26Å; Y1241-H1259 WeakPolarHBondContact CA-O 3.33Å; Y1241-H1259 VanDerWaalsContact CB-O 3.28Å; Y1241-H1259 WeakPolarHBondContact CB-O 3.27Å; Y1241-G1262 VanDerWaalsContact CE2-CA 3.42Å |
| 1242 | G | 73.7 | Confident | 77.1 | Confident | 6 Ų | 6 | 64 Ų | 64 | 6% | 0.062 | 32% | 0.323 | C | S | . | . | S | Bend | trans | 80.1 | -173.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | P1225 G1226 N1244 C1245 H1259 | P1225-G1242 WeakPolarHBondContact CA-O 3Å; G1226-G1242 PolarHBondContact N-O 2.86Å; G1226-G1242 VanDerWaalsContact N-O 3.07Å; G1242-N1244 PolarHBondContact O-N 2.84Å; G1242-C1245 PolarHBondContact O-N 2.97Å; G1242-H1259 PolarHBondContact N-O 3Å; G1242-H1259 VanDerWaalsContact N-O 3.17Å |
| 1243 | T | 76.8 | Confident | 76.4 | Confident | 56 Ų | 56 | 67.1 Ų | 67.1 | 34% | 0.344 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -59.1 | 125.9 | -177.2 | 46.2 | 0 | 0 | 0 | 0 | 111.2 | P1225 C1245 K1246 | P1225-T1243 HydrophobicContact CG-CG2 4Å; T1243-C1245 PolarHBondContact O-N 2.83Å; T1243-K1246 PolarHBondContact O-N 3.1Å |
| 1244 | N | 73.4 | Confident | 75.4 | Confident | 43 Ų | 43 | 66.3 Ų | 66.3 | 23% | 0.23 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | 53.3 | 24.7 | -172.9 | -45.9 | -76.6 | 0 | 0 | 0 | 114.7 | E1222 C1223 G1242 K1246 | E1222-N1244 WeakPolarHBondContact CA-OD1 3.27Å; E1222-N1244 WeakPolarHBondContact CG-ND2 3.44Å; C1223-N1244 PolarHBondContact N-OD1 3.38Å; C1223-N1244 PolarHBondContact O-N 2.81Å; G1242-N1244 PolarHBondContact O-N 2.84Å; N1244-K1246 HydrophobicContact CB-CD 4.4Å; N1244-K1246 HydrophobicContact CB-CG 4.2Å; N1244-K1246 PolarHBondContact O-N 3.22Å; N1244-K1246 VanDerWaalsContact O-N 3.13Å |
| 1245 | C | 81.4 | Confident | 74.7 | Confident | 17 Ų | 17 | 64.2 Ų | 64.2 | 12% | 0.115 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | 56.7 | 25.6 | -177.3 | -49 | 0 | 0 | 0 | 0 | 114.6 | W1227 C1236 F1240 Y1241 G1242 T1243 Q1247 | W1227-C1245 PolarHBondContact O-SG 3.19Å; C1236-C1245 WeakPolarHBondContact CA-SG 3.05Å; C1236-C1245 HydrophobicContact CB-CB 3.85Å; C1236-C1245 WeakPolarHBondContact CB-SG 3.47Å; C1236-C1245 VanDerWaalsContact SG-CA 3.52Å; C1236-C1245 WeakPolarHBondContact SG-CB 3.27Å; C1236-C1245 CovalentContact SG-SG 2.02Å; C1236-C1245 PolarHBondContact SG-SG 3.03Å; F1240-C1245 HydrophobicContact CB-CB 4.14Å; F1240-C1245 WeakPolarHBondContact CD1-O 3.37Å; Y1241-C1245 CarbonylContact O-C 3.28Å; Y1241-C1245 WeakPolarHBondContact O-CA 3.47Å; G1242-C1245 PolarHBondContact O-N 2.97Å; T1243-C1245 PolarHBondContact O-N 2.83Å; C1245-Q1247 VanDerWaalsContact C-N 3.29Å; C1245-Q1247 PolarHBondContact O-N 2.71Å |
| 1246 | K | 78.1 | Confident | 74.1 | Confident | 163 Ų | 163 | 64 Ų | 64 | 71% | 0.709 | 35% | 0.347 | S | S | * | . | trans | -72.4 | -17.3 | -175 | -75.3 | 175.8 | 178.1 | 175.1 | 0 | 114.1 | Y1241 T1243 N1244 | Y1241-K1246 PolarHBondContact O-N 3.1Å; T1243-K1246 PolarHBondContact O-N 3.1Å; N1244-K1246 HydrophobicContact CB-CD 4.4Å; N1244-K1246 HydrophobicContact CB-CG 4.2Å; N1244-K1246 PolarHBondContact O-N 3.22Å; N1244-K1246 VanDerWaalsContact O-N 3.13Å | ||
| 1247 | Q | 79.4 | Confident | 73.7 | Confident | 91 Ų | 91 | 63.8 Ų | 63.8 | 43% | 0.425 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 134.2 | -177.7 | -51.7 | -169.4 | 26.7 | 0 | 0 | 109.4 | F1240 Y1241 C1245 | F1240-Q1247 CarbonylContact C-O 3.53Å; F1240-Q1247 VanDerWaalsContact CA-O 3.26Å; F1240-Q1247 WeakPolarHBondContact CA-O 3.43Å; Y1241-Q1247 HydrophobicContact CD1-CB 3.89Å; Y1241-Q1247 HydrophobicContact CD2-CB 4.02Å; Y1241-Q1247 HydrophobicContact CE1-CB 3.73Å; Y1241-Q1247 HydrophobicContact CE2-CB 3.84Å; Y1241-Q1247 HydrophobicContact CE2-CG 4.32Å; Y1241-Q1247 HydrophobicContact CG-CB 4.06Å; Y1241-Q1247 VanDerWaalsContact CZ-OE1 3.25Å; Y1241-Q1247 PolarHBondContact N-O 2.02Å; Y1241-Q1247 PolarHBondContact O-N 2.89Å; Y1241-Q1247 VanDerWaalsContact O-N 3.11Å; Y1241-Q1247 PolarHBondContact OH-OE1 3.12Å; C1245-Q1247 VanDerWaalsContact C-N 3.29Å; C1245-Q1247 PolarHBondContact O-N 2.71Å |
| 1248 | R | 80 | Confident | 73.7 | Confident | 170 Ų | 170 | 62.7 Ų | 62.7 | 64% | 0.642 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 142.9 | 170.3 | -94.5 | -172.1 | 167.8 | -127.8 | -0.1 | 110 | G1239 F1240 Y1241 S1250 | G1239-R1248 WeakPolarHBondContact O-CA 3.44Å; F1240-R1248 HydrophobicContact CD1-CG 3.79Å; F1240-R1248 HydrophobicContact CE1-CG 3.52Å; F1240-R1248 HydrophobicContact CG-CG 4.48Å; F1240-R1248 HydrophobicContact CZ-CG 4Å; Y1241-R1248 VanDerWaalsContact CE1-O 3.24Å; Y1241-R1248 WeakPolarHBondContact CE1-O 3.36Å; R1248-S1250 PolarHBondContact O-N 2.97Å |
| 1249 | C | 70.7 | Confident | 73.7 | Confident | 24 Ų | 24 | 58.1 Ų | 58.1 | 16% | 0.162 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 120.3 | 167.4 | -56.5 | 0 | 0 | 0 | 0 | 109.7 | G1239 C1251 C1257 | G1239-C1249 VanDerWaalsContact CA-SG 3.53Å; G1239-C1249 PolarHBondContact O-N 2.88Å; C1249-C1251 HydrophobicContact CB-CB 4.49Å; C1249-C1251 PolarHBondContact O-N 2.85Å; C1249-C1257 VanDerWaalsContact CA-SG 3.59Å; C1249-C1257 HydrophobicContact CB-CB 3.74Å; C1249-C1257 WeakPolarHBondContact CB-SG 3Å; C1249-C1257 WeakPolarHBondContact SG-CB 3.08Å; C1249-C1257 PolarHBondContact SG-N 2.92Å; C1249-C1257 CovalentContact SG-SG 2.03Å; C1249-C1257 PolarHBondContact SG-SG 2.94Å |
| 1250 | S | 74 | Confident | 73.8 | Confident | 67 Ų | 67 | 60.9 Ų | 60.9 | 47% | 0.469 | 32% | 0.317 | S | S | . | . | trans | -89.5 | 39.6 | 173.8 | -60.9 | 0 | 0 | 0 | 0 | 111.6 | R1248 P1252 Q1274 | R1248-S1250 PolarHBondContact O-N 2.97Å; S1250-P1252 WeakPolarHBondContact O-CD 3.5Å; S1250-Q1274 VanDerWaalsContact CB-OE1 3.23Å | ||
| 1251 | C | 71.7 | Confident | 73.6 | Confident | 10 Ų | 10 | 61.7 Ų | 61.7 | 7% | 0.068 | 33% | 0.328 | C | S | . | . | trans | -87.9 | 141.8 | -161.6 | -63 | 0 | 0 | 0 | 0 | 115.8 | C1249 S1253 G1254 Q1255 C1257 C1264 | C1249-C1251 HydrophobicContact CB-CB 4.49Å; C1249-C1251 PolarHBondContact O-N 2.85Å; C1251-S1253 PolarHBondContact O-N 3.34Å; C1251-G1254 PolarHBondContact O-N 2.77Å; C1251-Q1255 HydrophobicContact CB-CB 4.47Å; C1251-C1257 VanDerWaalsContact SG-CB 3.59Å; C1251-C1264 WeakPolarHBondContact CA-SG 3.48Å; C1251-C1264 HydrophobicContact CB-CB 3.81Å; C1251-C1264 WeakPolarHBondContact CB-SG 3.37Å; C1251-C1264 VanDerWaalsContact SG-CA 3.56Å; C1251-C1264 WeakPolarHBondContact SG-CB 3.15Å; C1251-C1264 CovalentContact SG-SG 2.03Å; C1251-C1264 PolarHBondContact SG-SG 2.93Å | ||
| 1252 | P | 66.7 | Low | 73 | Confident | 9 Ų | 9 | 59.9 Ų | 59.9 | 6% | 0.058 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -24.4 | 115.8 | 150.1 | 43.8 | -27.5 | 0 | 0 | 0 | 113.3 | E156 S1250 G1254 Q1255 Q1274 C1275 | E156-P1252 HydrophobicContact CB-CB 3.48Å; E156-P1252 VanDerWaalsContact CB-CB 3.48Å; E156-P1252 HydrophobicContact CB-CG 4.49Å; E156-P1252 VanDerWaalsContact CD-CB 3.49Å; E156-P1252 HydrophobicContact CG-CB 4.08Å; E156-P1252 WeakPolarHBondContact OE1-CG 3.42Å; E156-P1252 WeakPolarHBondContact OE2-CG 3.33Å; S1250-P1252 WeakPolarHBondContact O-CD 3.5Å; P1252-G1254 PolarHBondContact O-N 2.87Å; P1252-Q1255 WeakPolarHBondContact O-CG 3.33Å; P1252-Q1255 PolarHBondContact O-N 3.1Å; P1252-Q1274 WeakPolarHBondContact CD-O 3.28Å; P1252-Q1274 WeakPolarHBondContact CG-O 3.46Å; P1252-C1275 HydrophobicContact CG-CB 4.12Å |
| 1253 | S | 65.4 | Low | 73.1 | Confident | 66 Ų | 66 | 63.9 Ų | 63.9 | 46% | 0.462 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | 52.8 | 29.7 | 175.3 | -51.4 | 0 | 0 | 0 | 0 | 115.5 | E156 T157 C1251 Q1255 | E156-S1253 WeakPolarHBondContact O-CA 3.17Å; E156-S1253 WeakPolarHBondContact O-CB 3.23Å; E156-S1253 PolarHBondContact O-N 2.79Å; E156-S1253 PolarHBondContact O-OG 2.88Å; T157-S1253 WeakPolarHBondContact CG2-O 3.29Å; T157-S1253 WeakPolarHBondContact OG1-CA 3.35Å; C1251-S1253 PolarHBondContact O-N 3.34Å; S1253-Q1255 PolarHBondContact O-N 3.43Å |
| 1254 | G | 61.5 | Low | 73 | Confident | 41 Ų | 41 | 61.2 Ų | 61.2 | 42% | 0.423 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | 59.5 | 18.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | T157 N160 C1251 P1252 | T157-G1254 PolarHBondContact OG1-N 3.22Å; N160-G1254 WeakPolarHBondContact ND2-CA 3.49Å; C1251-G1254 PolarHBondContact O-N 2.77Å; P1252-G1254 PolarHBondContact O-N 2.87Å |
| 1255 | Q | 64.3 | Low | 72.9 | Confident | 93 Ų | 93 | 62.5 Ų | 62.5 | 44% | 0.435 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -56 | 150 | 177.5 | -75.9 | -82.6 | 3.9 | 0 | 0 | 110.3 | C1251 P1252 S1253 C1257 | C1251-Q1255 HydrophobicContact CB-CB 4.47Å; P1252-Q1255 WeakPolarHBondContact O-CG 3.33Å; P1252-Q1255 PolarHBondContact O-N 3.1Å; S1253-Q1255 PolarHBondContact O-N 3.43Å; Q1255-C1257 PolarHBondContact O-N 2.87Å |
| 1256 | P | 67.3 | Low | 72.4 | Confident | 64 Ų | 64 | 61.8 Ų | 61.8 | 42% | 0.416 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 125.2 | 169.5 | -18.1 | 31.7 | 0 | 0 | 0 | 110 | L1238 | L1238-P1256 HydrophobicContact CD2-CB 3.92Å; L1238-P1256 HydrophobicContact CD2-CG 3.93Å |
| 1257 | C | 71.9 | Confident | 72.2 | Confident | 12 Ų | 12 | 56.6 Ų | 56.6 | 8% | 0.081 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -80.3 | 156 | 161.8 | 63.8 | 0 | 0 | 0 | 0 | 110.8 | Y1241 C1249 C1251 Q1255 H1259 G1262 L1263 | Y1241-C1257 WeakPolarHBondContact CD1-SG 3.07Å; C1249-C1257 VanDerWaalsContact CA-SG 3.59Å; C1249-C1257 HydrophobicContact CB-CB 3.74Å; C1249-C1257 WeakPolarHBondContact CB-SG 3Å; C1249-C1257 WeakPolarHBondContact SG-CB 3.08Å; C1249-C1257 PolarHBondContact SG-N 2.92Å; C1249-C1257 CovalentContact SG-SG 2.03Å; C1249-C1257 PolarHBondContact SG-SG 2.94Å; C1251-C1257 VanDerWaalsContact SG-CB 3.59Å; Q1255-C1257 PolarHBondContact O-N 2.87Å; C1257-H1259 PolarHBondContact O-N 3.04Å; C1257-G1262 WeakPolarHBondContact CB-O 3.2Å; C1257-L1263 WeakPolarHBondContact CA-O 3.33Å |
| 1258 | H | 76.6 | Confident | 72.2 | Confident | 92 Ų | 92 | 54 Ų | 54 | 43% | 0.426 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 117.7 | 174.7 | -178.5 | -92.8 | 0 | 0 | 0 | 110.3 | E1260 T1261 G1262 L1263 | H1258-E1260 PolarHBondContact O-N 3.17Å; H1258-T1261 WeakPolarHBondContact CB-OG1 3.43Å; H1258-T1261 PolarHBondContact ND1-OG1 3.09Å; H1258-T1261 PolarHBondContact O-N 2.9Å; H1258-G1262 PolarHBondContact O-N 3.33Å; H1258-L1263 PolarHBondContact N-O 3.11Å |
| 1259 | H | 74.6 | Confident | 72.1 | Confident | 54 Ų | 54 | 46.3 Ų | 46.3 | 25% | 0.25 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -39.5 | -168.7 | 65.1 | 116.5 | 0 | 0 | 0 | 114 | G1226 W1227 C1236 Y1241 G1242 C1257 | G1226-H1259 WeakPolarHBondContact CA-ND1 3.11Å; G1226-H1259 WeakPolarHBondContact CA-O 3.01Å; G1226-H1259 PolarHBondContact N-O 3.41Å; G1226-H1259 PolarHBondContact O-ND1 2.04Å; W1227-H1259 AromaticContact NE1-CE1 3.96Å; C1236-H1259 HydrophobicContact CB-CB 4.07Å; Y1241-H1259 VanDerWaalsContact CA-O 3.26Å; Y1241-H1259 WeakPolarHBondContact CA-O 3.33Å; Y1241-H1259 VanDerWaalsContact CB-O 3.28Å; Y1241-H1259 WeakPolarHBondContact CB-O 3.27Å; G1242-H1259 PolarHBondContact N-O 3Å; G1242-H1259 VanDerWaalsContact N-O 3.17Å; C1257-H1259 PolarHBondContact O-N 3.04Å |
| 1260 | E | 76.4 | Confident | 72.5 | Confident | 85 Ų | 85 | 47.9 Ų | 47.9 | 40% | 0.397 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -29 | -177.9 | -44.7 | -157.2 | 148 | 0 | 0 | 114.2 | P1225 W1227 H1258 | P1225-E1260 HydrophobicContact CB-CB 4.36Å; P1225-E1260 WeakPolarHBondContact CB-O 3.29Å; P1225-E1260 WeakPolarHBondContact O-CA 3.03Å; P1225-E1260 WeakPolarHBondContact O-CB 3.45Å; P1225-E1260 VanDerWaalsContact O-CG 3.26Å; P1225-E1260 WeakPolarHBondContact O-CG 3.25Å; W1227-E1260 PolarHBondContact NE1-OE1 3.44Å; H1258-E1260 PolarHBondContact O-N 3.17Å |
| 1261 | T | 76.4 | Confident | 72.9 | Confident | 90 Ų | 90 | 49.1 Ų | 49.1 | 55% | 0.552 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.8 | -17.9 | -167.7 | 54.7 | 0 | 0 | 0 | 0 | 114.1 | H1258 L1263 | H1258-T1261 WeakPolarHBondContact CB-OG1 3.43Å; H1258-T1261 PolarHBondContact ND1-OG1 3.09Å; H1258-T1261 PolarHBondContact O-N 2.9Å; T1261-L1263 PolarHBondContact O-N 3.23Å |
| 1262 | G | 73 | Confident | 72.8 | Confident | 5 Ų | 5 | 49.2 Ų | 49.2 | 5% | 0.052 | 29% | 0.286 | C | S | . | . | trans | 73.3 | -4.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y1241 C1257 H1258 C1264 | Y1241-G1262 VanDerWaalsContact CE2-CA 3.42Å; C1257-G1262 WeakPolarHBondContact CB-O 3.2Å; H1258-G1262 PolarHBondContact O-N 3.33Å; G1262-C1264 PolarHBondContact O-N 2.88Å | ||
| 1263 | L | 74.6 | Confident | 72.9 | Confident | 89 Ų | 89 | 52.5 Ų | 52.5 | 47% | 0.466 | 31% | 0.307 | S | S | . | . | trans | -61.8 | 119.7 | 177.1 | -157.8 | 80.1 | 0 | 0 | 0 | 108.7 | C1257 H1258 T1261 P1273 | C1257-L1263 WeakPolarHBondContact CA-O 3.33Å; H1258-L1263 PolarHBondContact N-O 3.11Å; T1261-L1263 PolarHBondContact O-N 3.23Å; L1263-P1273 HydrophobicContact CD1-CB 4.49Å | ||
| 1264 | C | 74.7 | Confident | 73.3 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.007 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | -68.2 | 136.7 | 168.4 | -56.8 | 0 | 0 | 0 | 0 | 109.1 | C1251 G1262 C1266 C1275 | C1251-C1264 WeakPolarHBondContact CA-SG 3.48Å; C1251-C1264 HydrophobicContact CB-CB 3.81Å; C1251-C1264 WeakPolarHBondContact CB-SG 3.37Å; C1251-C1264 VanDerWaalsContact SG-CA 3.56Å; C1251-C1264 WeakPolarHBondContact SG-CB 3.15Å; C1251-C1264 CovalentContact SG-SG 2.03Å; C1251-C1264 PolarHBondContact SG-SG 2.93Å; G1262-C1264 PolarHBondContact O-N 2.88Å; C1264-C1266 PolarHBondContact O-N 2.86Å; C1264-C1275 WeakPolarHBondContact CB-SG 3.39Å |
| 1265 | S | 71.7 | Confident | 74 | Confident | 70 Ų | 70 | 51.9 Ų | 51.9 | 49% | 0.49 | 29% | 0.286 | S | S | . | . | trans | -73.9 | 113 | 161.8 | -76 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1266 | C | 71.8 | Confident | 74.7 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.014 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -87.1 | 130.6 | -170.4 | -64.4 | 0 | 0 | 0 | 0 | 111.8 | C1264 K1270 C1275 E1286 D1287 | C1264-C1266 PolarHBondContact O-N 2.86Å; C1266-K1270 HydrophobicContact CB-CB 4.2Å; C1266-K1270 WeakPolarHBondContact CB-O 3.22Å; C1266-C1275 WeakPolarHBondContact CA-SG 3.26Å; C1266-C1275 HydrophobicContact CB-CB 3.86Å; C1266-C1275 WeakPolarHBondContact CB-SG 3.24Å; C1266-C1275 WeakPolarHBondContact SG-CA 3.47Å; C1266-C1275 WeakPolarHBondContact SG-CB 3.11Å; C1266-C1275 CovalentContact SG-SG 2.04Å; C1266-C1275 PolarHBondContact SG-SG 3.42Å; C1266-E1286 WeakPolarHBondContact O-CA 3.45Å; C1266-D1287 WeakPolarHBondContact CB-OD1 3.05Å; C1266-D1287 PolarHBondContact N-OD1 2.82Å; C1266-D1287 PolarHBondContact O-N 2.6Å; C1266-D1287 VanDerWaalsContact O-N 3.07Å |
| 1267 | P | 74.4 | Confident | 75.2 | Confident | 53 Ų | 53 | 52.5 Ų | 52.5 | 34% | 0.344 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 151.7 | 177.2 | 28.6 | -35.4 | 0 | 0 | 0 | 110.3 | G1269 K1270 | P1267-G1269 PolarHBondContact O-N 2.83Å; P1267-K1270 PolarHBondContact O-N 3.36Å |
| 1268 | A | 78.1 | Confident | 75.5 | Confident | 38 Ų | 38 | 57 Ų | 57 | 31% | 0.314 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | 123.2 | -175 | 0 | 0 | 0 | 0 | 0 | 112.3 | G1285 E1286 I1306 | A1268-G1285 WeakPolarHBondContact CA-O 3.05Å; A1268-E1286 HydrophobicContact CB-CG 4.47Å; A1268-I1306 HydrophobicContact CB-CG2 4.04Å |
| 1269 | G | 78.8 | Confident | 75.7 | Confident | 8 Ų | 8 | 53.3 Ų | 53.3 | 8% | 0.082 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 110.3 | -14.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | P1267 T1278 C1279 P1305 | P1267-G1269 PolarHBondContact O-N 2.83Å; G1269-T1278 WeakPolarHBondContact O-CA 3.32Å; G1269-C1279 PolarHBondContact O-N 3.27Å; G1269-P1305 VanDerWaalsContact CA-O 3.25Å; G1269-P1305 WeakPolarHBondContact CA-O 3.22Å; G1269-P1305 PolarHBondContact N-O 3.49Å |
| 1270 | K | 78.4 | Confident | 75.9 | Confident | 56 Ų | 56 | 53.1 Ų | 53.1 | 24% | 0.243 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 153.4 | 179.6 | -65.8 | -147.4 | -175.2 | -179.8 | 0 | 113.9 | E156 C1266 P1267 C1275 D1277 C1288 | E156-K1270 IonicContact OE1-NZ 2.72Å; E156-K1270 PolarHBondContact OE1-NZ 2.89Å; C1266-K1270 HydrophobicContact CB-CB 4.2Å; C1266-K1270 WeakPolarHBondContact CB-O 3.22Å; P1267-K1270 PolarHBondContact O-N 3.36Å; K1270-C1275 HydrophobicContact CB-CB 4.14Å; K1270-C1275 HydrophobicContact CD-CB 4.04Å; K1270-C1275 WeakPolarHBondContact CD-O 3.24Å; K1270-C1275 WeakPolarHBondContact CE-O 3.3Å; K1270-C1275 PolarHBondContact NZ-O 2.03Å; K1270-D1277 CarbonylContact C-O 3.51Å; K1270-D1277 VanDerWaalsContact CA-O 3.25Å; K1270-D1277 WeakPolarHBondContact CA-O 3.5Å; K1270-C1288 PolarHBondContact O-SG 2.82Å |
| 1271 | Y | 81.8 | Confident | 75.7 | Confident | 93 Ų | 93 | 54.8 Ų | 54.8 | 37% | 0.365 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | -168.9 | 163.9 | 82.6 | -52.2 | 0 | 0 | 0 | 110 | C1275 E1276 D1277 T1278 P1280 | Y1271-C1275 CarbonylContact O-C 3.41Å; Y1271-C1275 VanDerWaalsContact O-CA 3.3Å; Y1271-C1275 WeakPolarHBondContact O-CA 3.37Å; Y1271-E1276 PolarHBondContact O-N 3.42Å; Y1271-D1277 HydrophobicContact CD1-CB 3.62Å; Y1271-D1277 HydrophobicContact CE1-CB 3.3Å; Y1271-D1277 PolarHBondContact N-O 2.83Å; Y1271-D1277 PolarHBondContact O-N 3.28Å; Y1271-D1277 VanDerWaalsContact O-N 3.09Å; Y1271-T1278 WeakPolarHBondContact CD1-O 3.29Å; Y1271-T1278 WeakPolarHBondContact CE1-O 3.37Å; Y1271-P1280 HydrophobicContact CE1-CG 4.38Å |
| 1272 | G | 69.5 | Low | 76 | Confident | 13 Ų | 13 | 51 Ų | 51 | 13% | 0.134 | 29% | 0.287 | C | S | . | . | S | Bend | trans | 96.3 | 157 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q1274 C1275 E1276 | G1272-Q1274 PolarHBondContact O-N 3.43Å; G1272-C1275 PolarHBondContact O-N 3.29Å; G1272-E1276 VanDerWaalsContact CA-OE2 3.23Å; G1272-E1276 WeakPolarHBondContact CA-OE2 3.28Å |
| 1273 | P | 69.9 | Low | 76.6 | Confident | 77 Ų | 77 | 55.3 Ų | 55.3 | 50% | 0.5 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -23.1 | -171.9 | 26.6 | -35.2 | 0 | 0 | 0 | 114.4 | L1263 E1276 | L1263-P1273 HydrophobicContact CD1-CB 4.49Å; P1273-E1276 VanDerWaalsContact CD-OE2 3.26Å; P1273-E1276 WeakPolarHBondContact CD-OE2 3.41Å; P1273-E1276 VanDerWaalsContact N-OE2 3.09Å |
| 1274 | Q | 73.7 | Confident | 77.3 | Confident | 93 Ų | 93 | 54.6 Ų | 54.6 | 44% | 0.435 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | 22.6 | 174.1 | -52.5 | -174 | 26.5 | 0 | 0 | 111.5 | S1250 P1252 G1272 E1276 | S1250-Q1274 VanDerWaalsContact CB-OE1 3.23Å; P1252-Q1274 WeakPolarHBondContact CD-O 3.28Å; P1252-Q1274 WeakPolarHBondContact CG-O 3.46Å; G1272-Q1274 PolarHBondContact O-N 3.43Å; Q1274-E1276 VanDerWaalsContact C-OE2 3.32Å; Q1274-E1276 WeakPolarHBondContact CA-OE2 3.23Å; Q1274-E1276 PolarHBondContact N-OE1 3.43Å; Q1274-E1276 PolarHBondContact N-OE2 3.25Å; Q1274-E1276 PolarHBondContact O-N 2.97Å |
| 1275 | C | 76 | Confident | 77.5 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.014 | 30% | 0.295 | C | S | . | . | S | Bend | trans | 46.8 | 44.2 | -171.7 | -45 | 0 | 0 | 0 | 0 | 112.2 | P1252 C1264 C1266 K1270 Y1271 G1272 | P1252-C1275 HydrophobicContact CG-CB 4.12Å; C1264-C1275 WeakPolarHBondContact CB-SG 3.39Å; C1266-C1275 WeakPolarHBondContact CA-SG 3.26Å; C1266-C1275 HydrophobicContact CB-CB 3.86Å; C1266-C1275 WeakPolarHBondContact CB-SG 3.24Å; C1266-C1275 WeakPolarHBondContact SG-CA 3.47Å; C1266-C1275 WeakPolarHBondContact SG-CB 3.11Å; C1266-C1275 CovalentContact SG-SG 2.04Å; C1266-C1275 PolarHBondContact SG-SG 3.42Å; K1270-C1275 HydrophobicContact CB-CB 4.14Å; K1270-C1275 HydrophobicContact CD-CB 4.04Å; K1270-C1275 WeakPolarHBondContact CD-O 3.24Å; K1270-C1275 WeakPolarHBondContact CE-O 3.3Å; K1270-C1275 PolarHBondContact NZ-O 2.03Å; Y1271-C1275 CarbonylContact O-C 3.41Å; Y1271-C1275 VanDerWaalsContact O-CA 3.3Å; Y1271-C1275 WeakPolarHBondContact O-CA 3.37Å; G1272-C1275 PolarHBondContact O-N 3.29Å |
| 1276 | E | 80.2 | Confident | 77.8 | Confident | 95 Ų | 95 | 57.2 Ų | 57.2 | 44% | 0.444 | 30% | 0.299 | S | S | . | . | trans | -84 | -31.8 | 179.1 | 58.3 | -85.5 | -104.2 | 0 | 0 | 111.8 | Y1271 G1272 P1273 Q1274 | Y1271-E1276 PolarHBondContact O-N 3.42Å; G1272-E1276 VanDerWaalsContact CA-OE2 3.23Å; G1272-E1276 WeakPolarHBondContact CA-OE2 3.28Å; P1273-E1276 VanDerWaalsContact CD-OE2 3.26Å; P1273-E1276 WeakPolarHBondContact CD-OE2 3.41Å; P1273-E1276 VanDerWaalsContact N-OE2 3.09Å; Q1274-E1276 VanDerWaalsContact C-OE2 3.32Å; Q1274-E1276 WeakPolarHBondContact CA-OE2 3.23Å; Q1274-E1276 PolarHBondContact N-OE1 3.43Å; Q1274-E1276 PolarHBondContact N-OE2 3.25Å; Q1274-E1276 PolarHBondContact O-N 2.97Å | ||
| 1277 | D | 76.4 | Confident | 77.9 | Confident | 75 Ų | 75 | 60.1 Ų | 60.1 | 40% | 0.401 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 145 | -176.5 | -66.9 | -49.4 | 0 | 0 | 0 | 112.4 | K1270 Y1271 | K1270-D1277 CarbonylContact C-O 3.51Å; K1270-D1277 VanDerWaalsContact CA-O 3.25Å; K1270-D1277 WeakPolarHBondContact CA-O 3.5Å; Y1271-D1277 HydrophobicContact CD1-CB 3.62Å; Y1271-D1277 HydrophobicContact CE1-CB 3.3Å; Y1271-D1277 PolarHBondContact N-O 2.83Å; Y1271-D1277 PolarHBondContact O-N 3.28Å; Y1271-D1277 VanDerWaalsContact O-N 3.09Å |
| 1278 | T | 78.4 | Confident | 78.1 | Confident | 107 Ų | 107 | 57.8 Ų | 57.8 | 66% | 0.656 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 151.2 | 165.6 | 47.6 | 0 | 0 | 0 | 0 | 110.8 | G1269 Y1271 | G1269-T1278 WeakPolarHBondContact O-CA 3.32Å; Y1271-T1278 WeakPolarHBondContact CD1-O 3.29Å; Y1271-T1278 WeakPolarHBondContact CE1-O 3.37Å |
| 1279 | C | 80.6 | Confident | 78.3 | Confident | 13 Ų | 13 | 61.3 Ų | 61.3 | 9% | 0.088 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -49.8 | 133.2 | -179.7 | -65.2 | 0 | 0 | 0 | 0 | 112.3 | G1269 R1283 C1288 P1305 | G1269-C1279 PolarHBondContact O-N 3.27Å; C1279-R1283 HydrophobicContact CB-CB 4.39Å; C1279-R1283 WeakPolarHBondContact CB-O 3.24Å; C1279-C1288 WeakPolarHBondContact CA-SG 3.22Å; C1279-C1288 HydrophobicContact CB-CB 3.77Å; C1279-C1288 WeakPolarHBondContact CB-SG 3.35Å; C1279-C1288 WeakPolarHBondContact SG-CB 3.47Å; C1279-C1288 CovalentContact SG-SG 2.02Å; C1279-C1288 PolarHBondContact SG-SG 2.04Å; C1279-P1305 HydrophobicContact CB-CB 3.68Å |
| 1280 | P | 78.6 | Confident | 78.5 | Confident | 51 Ų | 51 | 64.9 Ų | 64.9 | 33% | 0.331 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 151.3 | -179.3 | 31.1 | -35.8 | 0 | 0 | 0 | 110.1 | Y1271 G1282 R1283 | Y1271-P1280 HydrophobicContact CE1-CG 4.38Å; P1280-G1282 PolarHBondContact O-N 2.83Å; P1280-G1282 VanDerWaalsContact O-N 3.11Å; P1280-R1283 HydrophobicContact CG-CB 4.41Å; P1280-R1283 HydrophobicContact CG-CG 4.48Å; P1280-R1283 PolarHBondContact O-N 3.18Å |
| 1281 | E | 73.4 | Confident | 78.6 | Confident | 120 Ų | 120 | 67.5 Ų | 67.5 | 56% | 0.561 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 118.1 | -167.8 | -156.3 | -176.6 | -113 | 0 | 0 | 111.9 | L1302 R1313 | E1281-L1302 HydrophobicContact CG-CD2 3.88Å; E1281-L1302 VanDerWaalsContact OE1-CD2 3.24Å; E1281-L1302 WeakPolarHBondContact OE1-CD2 3.3Å; E1281-R1313 VanDerWaalsContact CD-NH2 3.26Å; E1281-R1313 IonicContact OE1-CZ 3.45Å; E1281-R1313 IonicContact OE1-NH1 3.55Å; E1281-R1313 PolarHBondContact OE1-NH1 2.91Å; E1281-R1313 IonicContact OE1-NH2 3.32Å; E1281-R1313 PolarHBondContact OE1-NH2 3.43Å; E1281-R1313 IonicContact OE2-CZ 3.59Å; E1281-R1313 IonicContact OE2-NH1 2.72Å; E1281-R1313 IonicContact OE2-NH2 2.71Å; E1281-R1313 PolarHBondContact OE2-NH2 3.27Å |
| 1282 | G | 81.2 | Confident | 78.4 | Confident | 9 Ų | 9 | 63.4 Ų | 63.4 | 9% | 0.093 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 100.5 | 2.9 | -176 | 0 | 0 | 0 | 0 | 0 | 116.1 | P1280 C1292 | P1280-G1282 PolarHBondContact O-N 2.83Å; P1280-G1282 VanDerWaalsContact O-N 3.11Å; G1282-C1292 WeakPolarHBondContact O-CB 3.32Å; G1282-C1292 PolarHBondContact O-N 3.32Å |
| 1283 | R | 86 | Confident | 79 | Confident | 97 Ų | 97 | 67.6 Ų | 67.6 | 37% | 0.366 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 155.4 | 172.3 | -72.9 | -176.7 | 166.3 | -85.8 | -1 | 113.6 | C1279 P1280 C1288 H1290 I1291 | C1279-R1283 HydrophobicContact CB-CB 4.39Å; C1279-R1283 WeakPolarHBondContact CB-O 3.24Å; P1280-R1283 HydrophobicContact CG-CB 4.41Å; P1280-R1283 HydrophobicContact CG-CG 4.48Å; P1280-R1283 PolarHBondContact O-N 3.18Å; R1283-C1288 HydrophobicContact CB-CB 4Å; R1283-C1288 WeakPolarHBondContact CD-O 3.03Å; R1283-C1288 PolarHBondContact NH1-O 3.49Å; R1283-H1290 CarbonylContact C-O 3.58Å; R1283-H1290 VanDerWaalsContact CA-O 3.28Å; R1283-H1290 WeakPolarHBondContact CA-O 3.36Å; R1283-I1291 HydrophobicContact CG-CG1 4.33Å |
| 1284 | W | 89 | Confident | 79.4 | Confident | 73 Ų | 73 | 64 Ų | 64 | 28% | 0.277 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 174.2 | 179.5 | 70.1 | -79.2 | 0 | 0 | 0 | 113.8 | C1288 Q1289 H1290 I1291 C1292 D1304 P1305 | W1284-C1288 CarbonylContact O-C 3.57Å; W1284-C1288 VanDerWaalsContact O-C 3.29Å; W1284-C1288 WeakPolarHBondContact O-CA 3.27Å; W1284-Q1289 PolarHBondContact O-N 2.04Å; W1284-H1290 HydrophobicContact CD2-CB 3.83Å; W1284-H1290 VanDerWaalsContact CE2-CB 3.45Å; W1284-H1290 HydrophobicContact CG-CB 4.01Å; W1284-H1290 AromaticContact CH2-CD2 3.83Å; W1284-H1290 HydrophobicContact CZ2-CB 3.96Å; W1284-H1290 AromaticContact CZ2-CD2 3.89Å; W1284-H1290 AromaticContact CZ3-CD2 3.91Å; W1284-H1290 PolarHBondContact N-O 3.06Å; W1284-H1290 WeakPolarHBondContact O-CB 3.47Å; W1284-H1290 PolarHBondContact O-N 3.36Å; W1284-I1291 PolarHBondContact NE1-O 3.42Å; W1284-C1292 VanDerWaalsContact CD1-SG 3.51Å; W1284-D1304 WeakPolarHBondContact CB-O 3.46Å; W1284-P1305 WeakPolarHBondContact CA-O 3.49Å; W1284-P1305 WeakPolarHBondContact CB-O 3.06Å |
| 1285 | G | 79.3 | Confident | 79.3 | Confident | 4 Ų | 4 | 62.9 Ų | 62.9 | 4% | 0.041 | 31% | 0.314 | C | S | . | . | S | Bend | trans | 84.5 | -179.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A1268 C1288 P1305 | A1268-G1285 WeakPolarHBondContact CA-O 3.05Å; G1285-C1288 WeakPolarHBondContact O-CA 3.22Å; G1285-C1288 PolarHBondContact O-N 3.4Å; G1285-P1305 PolarHBondContact N-O 3.36Å |
| 1286 | E | 78.1 | Confident | 79.1 | Confident | 122 Ų | 122 | 69.9 Ų | 69.9 | 57% | 0.57 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -58.9 | 139.5 | 175.2 | -68.5 | -173.9 | 141.2 | 0 | 0 | 110.7 | C1266 A1268 C1288 Q1289 | C1266-E1286 WeakPolarHBondContact O-CA 3.45Å; A1268-E1286 HydrophobicContact CB-CG 4.47Å; E1286-C1288 PolarHBondContact O-N 2.84Å; E1286-Q1289 WeakPolarHBondContact O-CB 3.37Å; E1286-Q1289 VanDerWaalsContact O-CG 3.25Å; E1286-Q1289 WeakPolarHBondContact O-CG 3.34Å; E1286-Q1289 PolarHBondContact O-N 3.28Å; E1286-Q1289 VanDerWaalsContact O-N 3.09Å; E1286-Q1289 PolarHBondContact O-NE2 3.3Å |
| 1287 | D | 73.4 | Confident | 78.6 | Confident | 64 Ų | 64 | 71.5 Ų | 71.5 | 34% | 0.342 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | 49.3 | 20.6 | -171.1 | -64.7 | -40.7 | 0 | 0 | 0 | 114.4 | C1266 Q1289 | C1266-D1287 WeakPolarHBondContact CB-OD1 3.05Å; C1266-D1287 PolarHBondContact N-OD1 2.82Å; C1266-D1287 PolarHBondContact O-N 2.6Å; C1266-D1287 VanDerWaalsContact O-N 3.07Å; D1287-Q1289 PolarHBondContact O-N 3.05Å; D1287-Q1289 VanDerWaalsContact O-N 3.13Å |
| 1288 | C | 80.1 | Confident | 78.4 | Confident | 3 Ų | 3 | 69.7 Ų | 69.7 | 2% | 0.02 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | 51 | 33 | -174 | -51.8 | 0 | 0 | 0 | 0 | 113.2 | K1270 C1279 R1283 W1284 G1285 E1286 H1290 | K1270-C1288 PolarHBondContact O-SG 2.82Å; C1279-C1288 WeakPolarHBondContact CA-SG 3.22Å; C1279-C1288 HydrophobicContact CB-CB 3.77Å; C1279-C1288 WeakPolarHBondContact CB-SG 3.35Å; C1279-C1288 WeakPolarHBondContact SG-CB 3.47Å; C1279-C1288 CovalentContact SG-SG 2.02Å; C1279-C1288 PolarHBondContact SG-SG 2.04Å; R1283-C1288 HydrophobicContact CB-CB 4Å; R1283-C1288 WeakPolarHBondContact CD-O 3.03Å; R1283-C1288 PolarHBondContact NH1-O 3.49Å; W1284-C1288 CarbonylContact O-C 3.57Å; W1284-C1288 VanDerWaalsContact O-C 3.29Å; W1284-C1288 WeakPolarHBondContact O-CA 3.27Å; G1285-C1288 WeakPolarHBondContact O-CA 3.22Å; G1285-C1288 PolarHBondContact O-N 3.4Å; E1286-C1288 PolarHBondContact O-N 2.84Å; C1288-H1290 VanDerWaalsContact C-N 3.31Å; C1288-H1290 PolarHBondContact O-N 2.96Å |
| 1289 | Q | 81.4 | Confident | 78.2 | Confident | 112 Ų | 112 | 69.9 Ų | 69.9 | 52% | 0.523 | 34% | 0.344 | S | S | . | . | trans | -68.2 | -27.4 | -170.6 | 71.7 | -171 | -92.8 | 0 | 0 | 113.4 | W1284 E1286 D1287 | W1284-Q1289 PolarHBondContact O-N 2.04Å; E1286-Q1289 WeakPolarHBondContact O-CB 3.37Å; E1286-Q1289 VanDerWaalsContact O-CG 3.25Å; E1286-Q1289 WeakPolarHBondContact O-CG 3.34Å; E1286-Q1289 PolarHBondContact O-N 3.28Å; E1286-Q1289 VanDerWaalsContact O-N 3.09Å; E1286-Q1289 PolarHBondContact O-NE2 3.3Å; D1287-Q1289 PolarHBondContact O-N 3.05Å; D1287-Q1289 VanDerWaalsContact O-N 3.13Å | ||
| 1290 | H | 83 | Confident | 77.8 | Confident | 83 Ų | 83 | 70.8 Ų | 70.8 | 38% | 0.384 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 150.9 | 179.3 | -55.2 | -39.3 | 0 | 0 | 0 | 111.8 | R1283 W1284 C1288 | R1283-H1290 CarbonylContact C-O 3.58Å; R1283-H1290 VanDerWaalsContact CA-O 3.28Å; R1283-H1290 WeakPolarHBondContact CA-O 3.36Å; W1284-H1290 HydrophobicContact CD2-CB 3.83Å; W1284-H1290 VanDerWaalsContact CE2-CB 3.45Å; W1284-H1290 HydrophobicContact CG-CB 4.01Å; W1284-H1290 AromaticContact CH2-CD2 3.83Å; W1284-H1290 HydrophobicContact CZ2-CB 3.96Å; W1284-H1290 AromaticContact CZ2-CD2 3.89Å; W1284-H1290 AromaticContact CZ3-CD2 3.91Å; W1284-H1290 PolarHBondContact N-O 3.06Å; W1284-H1290 WeakPolarHBondContact O-CB 3.47Å; W1284-H1290 PolarHBondContact O-N 3.36Å; C1288-H1290 VanDerWaalsContact C-N 3.31Å; C1288-H1290 PolarHBondContact O-N 2.96Å |
| 1291 | I | 81.7 | Confident | 77.9 | Confident | 111 Ų | 111 | 68.8 Ų | 68.8 | 57% | 0.569 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 146 | 176.9 | -59.9 | 175.4 | 0 | 0 | 0 | 108.5 | R1283 W1284 | R1283-I1291 HydrophobicContact CG-CG1 4.33Å; W1284-I1291 PolarHBondContact NE1-O 3.42Å |
| 1292 | C | 77.6 | Confident | 78 | Confident | 8 Ų | 8 | 64.2 Ų | 64.2 | 5% | 0.054 | 31% | 0.313 | C | S | . | . | trans | -98.6 | 123.1 | 178.8 | -98.4 | 0 | 0 | 0 | 0 | 112.2 | G1282 W1284 C1294 C1303 G1308 | G1282-C1292 WeakPolarHBondContact O-CB 3.32Å; G1282-C1292 PolarHBondContact O-N 3.32Å; W1284-C1292 VanDerWaalsContact CD1-SG 3.51Å; C1292-C1294 HydrophobicContact CB-CB 4.39Å; C1292-C1294 PolarHBondContact O-N 3.11Å; C1292-C1294 VanDerWaalsContact SG-SG 3.67Å; C1292-C1303 HydrophobicContact CB-CB 3.43Å; C1292-C1303 VanDerWaalsContact CB-CB 3.43Å; C1292-C1303 WeakPolarHBondContact CB-SG 3.5Å; C1292-C1303 WeakPolarHBondContact SG-CB 3.01Å; C1292-C1303 CovalentContact SG-SG 2.03Å; C1292-C1303 PolarHBondContact SG-SG 3.49Å; C1292-G1308 PolarHBondContact SG-O 2.04Å; C1292-G1308 VanDerWaalsContact SG-O 3.38Å | ||
| 1293 | D | 80.9 | Confident | 78 | Confident | 101 Ų | 101 | 64.2 Ų | 64.2 | 54% | 0.54 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | 22.1 | 170.8 | -63.8 | -32.8 | 0 | 0 | 0 | 113.7 | L1296 K1297 | D1293-L1296 HydrophobicContact CB-CB 4.41Å; D1293-L1296 HydrophobicContact CB-CD1 4.17Å; D1293-L1296 WeakPolarHBondContact O-CB 3.37Å; D1293-L1296 PolarHBondContact O-N 3.39Å; D1293-K1297 PolarHBondContact O-N 2.77Å |
| 1294 | C | 78.7 | Confident | 77.7 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.7 | -43.8 | -176 | -58.4 | 0 | 0 | 0 | 0 | 111.7 | C1292 L1296 K1297 N1298 M1301 C1310 | C1292-C1294 HydrophobicContact CB-CB 4.39Å; C1292-C1294 PolarHBondContact O-N 3.11Å; C1292-C1294 VanDerWaalsContact SG-SG 3.67Å; C1294-L1296 VanDerWaalsContact C-N 3.25Å; C1294-L1296 PolarHBondContact O-N 2.89Å; C1294-K1297 WeakPolarHBondContact O-CB 3.37Å; C1294-K1297 PolarHBondContact O-N 2.93Å; C1294-N1298 CarbonylContact O-C 3.03Å; C1294-N1298 PolarHBondContact O-N 3.05Å; C1294-M1301 HydrophobicContact CB-CB 3.79Å; C1294-C1310 WeakPolarHBondContact CA-SG 3.34Å; C1294-C1310 HydrophobicContact CB-CB 3.9Å; C1294-C1310 WeakPolarHBondContact CB-SG 3.23Å; C1294-C1310 WeakPolarHBondContact SG-CA 3.42Å; C1294-C1310 WeakPolarHBondContact SG-CB 3Å; C1294-C1310 CovalentContact SG-SG 2.04Å; C1294-C1310 PolarHBondContact SG-SG 3.49Å |
| 1295 | H | 70.4 | Confident | 77.1 | Confident | 71 Ų | 71 | 59.6 Ų | 59.6 | 33% | 0.329 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.8 | -29.9 | 175.1 | -60.9 | -87.3 | 0 | 0 | 0 | 113 | K1297 | H1295-K1297 VanDerWaalsContact C-N 3.27Å; H1295-K1297 PolarHBondContact O-N 3.29Å |
| 1296 | L | 72 | Confident | 77 | Confident | 148 Ų | 148 | 63.3 Ų | 63.3 | 78% | 0.775 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -72.4 | -19.4 | 174.9 | -62.7 | 178 | 0 | 0 | 0 | 112.8 | D1293 C1294 | D1293-L1296 HydrophobicContact CB-CB 4.41Å; D1293-L1296 HydrophobicContact CB-CD1 4.17Å; D1293-L1296 WeakPolarHBondContact O-CB 3.37Å; D1293-L1296 PolarHBondContact O-N 3.39Å; C1294-L1296 VanDerWaalsContact C-N 3.25Å; C1294-L1296 PolarHBondContact O-N 2.89Å |
| 1297 | K | 70 | Confident | 77.2 | Confident | 130 Ų | 130 | 63 Ų | 63 | 57% | 0.565 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -89.7 | -50.4 | 172.8 | -65.9 | 170.7 | -175.4 | 169.6 | 0 | 111.2 | D1293 C1294 H1295 M1301 | D1293-K1297 PolarHBondContact O-N 2.77Å; C1294-K1297 WeakPolarHBondContact O-CB 3.37Å; C1294-K1297 PolarHBondContact O-N 2.93Å; H1295-K1297 VanDerWaalsContact C-N 3.27Å; H1295-K1297 PolarHBondContact O-N 3.29Å; K1297-M1301 HydrophobicContact CB-SD 3.62Å; K1297-M1301 HydrophobicContact CD-SD 4.24Å |
| 1298 | N | 73.7 | Confident | 77.4 | Confident | 37 Ų | 37 | 60.8 Ų | 60.8 | 20% | 0.198 | 31% | 0.311 | C | S | . | . | trans | -165.8 | 137.8 | 170.8 | -172.8 | -18.5 | 0 | 0 | 0 | 110.2 | C1294 N1300 M1301 N1320 C1321 | C1294-N1298 CarbonylContact O-C 3.03Å; C1294-N1298 PolarHBondContact O-N 3.05Å; N1298-N1300 PolarHBondContact O-N 3.14Å; N1298-N1300 PolarHBondContact OD1-N 2.03Å; N1298-M1301 HydrophobicContact CB-CG 4.27Å; N1298-M1301 WeakPolarHBondContact O-CB 3.47Å; N1298-M1301 PolarHBondContact O-N 3.21Å; N1298-N1320 WeakPolarHBondContact CB-O 3.21Å; N1298-N1320 PolarHBondContact ND2-O 2.85Å; N1298-C1321 PolarHBondContact ND2-O 2.74Å | ||
| 1299 | N | 72.3 | Confident | 77.5 | Confident | 111 Ų | 111 | 64.8 Ų | 64.8 | 59% | 0.594 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -20 | 172.7 | -73.2 | -25.6 | 0 | 0 | 0 | 114.6 | M1301 R1313 | N1299-M1301 VanDerWaalsContact C-N 3.26Å; N1299-M1301 PolarHBondContact O-N 3.36Å; N1299-R1313 PolarHBondContact O-NE 3.12Å; N1299-R1313 VanDerWaalsContact O-NE 3.15Å |
| 1300 | N | 74 | Confident | 77.5 | Confident | 31 Ų | 31 | 60.8 Ų | 60.8 | 17% | 0.166 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -1.9 | 173.8 | -59.9 | -25 | 0 | 0 | 0 | 113.9 | N1298 R1313 W1316 C1321 | N1298-N1300 PolarHBondContact O-N 3.14Å; N1298-N1300 PolarHBondContact OD1-N 2.03Å; N1300-R1313 WeakPolarHBondContact O-CG 3.37Å; N1300-R1313 PolarHBondContact O-N 3.27Å; N1300-W1316 HydrophobicContact CB-CD2 4.06Å; N1300-W1316 HydrophobicContact CB-CG 4.09Å; N1300-W1316 VanDerWaalsContact ND2-CD2 3.3Å; N1300-W1316 WeakPolarHBondContact ND2-CH2 3.39Å; N1300-W1316 WeakPolarHBondContact ND2-CZ2 3.04Å; N1300-W1316 WeakPolarHBondContact ND2-CZ3 3.1Å; N1300-C1321 HydrophobicContact CB-CB 3.77Å; N1300-C1321 PolarHBondContact ND2-O 2.01Å |
| 1301 | M | 80.1 | Confident | 77.3 | Confident | 9 Ų | 9 | 60.9 Ų | 60.9 | 4% | 0.044 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 125.4 | 174.8 | -68.7 | -179 | 117 | 0 | 0 | 111.2 | C1294 K1297 N1298 N1299 C1310 Y1311 P1319 C1321 | C1294-M1301 HydrophobicContact CB-CB 3.79Å; K1297-M1301 HydrophobicContact CB-SD 3.62Å; K1297-M1301 HydrophobicContact CD-SD 4.24Å; N1298-M1301 HydrophobicContact CB-CG 4.27Å; N1298-M1301 WeakPolarHBondContact O-CB 3.47Å; N1298-M1301 PolarHBondContact O-N 3.21Å; N1299-M1301 VanDerWaalsContact C-N 3.26Å; N1299-M1301 PolarHBondContact O-N 3.36Å; M1301-C1310 HydrophobicContact CB-CB 4.25Å; M1301-C1310 HydrophobicContact CE-CB 3.75Å; M1301-C1310 HydrophobicContact SD-CB 4.04Å; M1301-Y1311 CarbonylContact C-O 3.58Å; M1301-Y1311 VanDerWaalsContact CA-O 3.3Å; M1301-Y1311 WeakPolarHBondContact CA-O 3.48Å; M1301-P1319 VanDerWaalsContact CE-O 3.25Å; M1301-P1319 WeakPolarHBondContact CE-O 3.15Å; M1301-C1321 HydrophobicContact CG-CB 4.13Å; M1301-C1321 WeakPolarHBondContact CG-SG 3.06Å |
| 1302 | L | 75.1 | Confident | 77.1 | Confident | 24 Ų | 24 | 56 Ų | 56 | 13% | 0.126 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 152.5 | 165.9 | -76.5 | 164.8 | 0 | 0 | 0 | 110.4 | E1281 C1310 Y1311 R1313 | E1281-L1302 HydrophobicContact CG-CD2 3.88Å; E1281-L1302 VanDerWaalsContact OE1-CD2 3.24Å; E1281-L1302 WeakPolarHBondContact OE1-CD2 3.3Å; L1302-C1310 CarbonylContact O-C 3.55Å; L1302-C1310 VanDerWaalsContact O-CA 3.26Å; L1302-C1310 WeakPolarHBondContact O-CA 3.04Å; L1302-Y1311 HydrophobicContact CB-CD1 4.26Å; L1302-Y1311 HydrophobicContact CB-CD2 4.21Å; L1302-Y1311 HydrophobicContact CB-CE1 3.81Å; L1302-Y1311 HydrophobicContact CB-CE2 3.77Å; L1302-Y1311 HydrophobicContact CB-CG 4.44Å; L1302-Y1311 HydrophobicContact CD1-CD2 4.45Å; L1302-Y1311 HydrophobicContact CD1-CE2 3.59Å; L1302-Y1311 HydrophobicContact CG-CE2 4.33Å; L1302-Y1311 PolarHBondContact N-O 3.12Å; L1302-Y1311 PolarHBondContact O-N 3.17Å; L1302-R1313 HydrophobicContact CD1-CB 4.47Å; L1302-R1313 HydrophobicContact CD1-CG 3.89Å; L1302-R1313 HydrophobicContact CD2-CG 4.38Å; L1302-R1313 HydrophobicContact CG-CG 3.69Å |
| 1303 | C | 81.5 | Confident | 77 | Confident | 10 Ų | 10 | 58.9 Ų | 58.9 | 7% | 0.068 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 129.6 | 169.2 | -175.8 | 0 | 0 | 0 | 0 | 109.6 | C1292 P1305 | C1292-C1303 HydrophobicContact CB-CB 3.43Å; C1292-C1303 VanDerWaalsContact CB-CB 3.43Å; C1292-C1303 WeakPolarHBondContact CB-SG 3.5Å; C1292-C1303 WeakPolarHBondContact SG-CB 3.01Å; C1292-C1303 CovalentContact SG-SG 2.03Å; C1292-C1303 PolarHBondContact SG-SG 3.49Å; C1303-P1305 WeakPolarHBondContact O-CD 3.29Å |
| 1304 | D | 78.9 | Confident | 76.6 | Confident | 35 Ų | 35 | 56.3 Ų | 56.3 | 19% | 0.187 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 116.5 | 161.9 | 179.1 | -31.3 | 0 | 0 | 0 | 108.2 | W1284 I1306 H1307 G1308 V1309 Y1311 | W1284-D1304 WeakPolarHBondContact CB-O 3.46Å; D1304-I1306 PolarHBondContact O-N 2.94Å; D1304-I1306 WeakPolarHBondContact OD1-CA 3.42Å; D1304-I1306 WeakPolarHBondContact OD1-CB 3.31Å; D1304-I1306 PolarHBondContact OD1-N 3.48Å; D1304-H1307 HydrophobicContact CB-CB 4.46Å; D1304-H1307 PolarHBondContact O-N 2.84Å; D1304-H1307 PolarHBondContact OD1-N 3.29Å; D1304-H1307 IonicContact OD1-ND1 3.44Å; D1304-H1307 PolarHBondContact OD1-ND1 2.85Å; D1304-H1307 IonicContact OD2-CE1 3.93Å; D1304-H1307 IonicContact OD2-CG 3.61Å; D1304-H1307 IonicContact OD2-ND1 2.83Å; D1304-H1307 PolarHBondContact OD2-ND1 3.23Å; D1304-G1308 WeakPolarHBondContact O-CA 3.23Å; D1304-G1308 PolarHBondContact O-N 2.9Å; D1304-V1309 HydrophobicContact CB-CB 4.12Å; D1304-V1309 VanDerWaalsContact CB-O 3.29Å; D1304-V1309 WeakPolarHBondContact CB-O 3.46Å; D1304-V1309 PolarHBondContact N-O 2.79Å; D1304-Y1311 HydrophobicContact CB-CD1 4.32Å; D1304-Y1311 HydrophobicContact CB-CE1 4.25Å |
| 1305 | P | 78 | Confident | 76.3 | Confident | 37 Ų | 37 | 56.3 Ų | 56.3 | 24% | 0.24 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -19.1 | -174.4 | 31.4 | -37.1 | 0 | 0 | 0 | 112.6 | G1269 C1279 W1284 G1285 C1303 | G1269-P1305 VanDerWaalsContact CA-O 3.25Å; G1269-P1305 WeakPolarHBondContact CA-O 3.22Å; G1269-P1305 PolarHBondContact N-O 3.49Å; C1279-P1305 HydrophobicContact CB-CB 3.68Å; W1284-P1305 WeakPolarHBondContact CA-O 3.49Å; W1284-P1305 WeakPolarHBondContact CB-O 3.06Å; G1285-P1305 PolarHBondContact N-O 3.36Å; C1303-P1305 WeakPolarHBondContact O-CD 3.29Å |
| 1306 | I | 76.1 | Confident | 76.6 | Confident | 83 Ų | 83 | 54.9 Ų | 54.9 | 43% | 0.426 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -51.5 | 176.4 | -50.6 | 179.7 | 0 | 0 | 0 | 109.6 | A1268 D1304 | A1268-I1306 HydrophobicContact CB-CG2 4.04Å; D1304-I1306 PolarHBondContact O-N 2.94Å; D1304-I1306 WeakPolarHBondContact OD1-CA 3.42Å; D1304-I1306 WeakPolarHBondContact OD1-CB 3.31Å; D1304-I1306 PolarHBondContact OD1-N 3.48Å |
| 1307 | H | 82.2 | Confident | 76.8 | Confident | 115 Ų | 115 | 50.9 Ų | 50.9 | 53% | 0.532 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | -7.1 | -165.5 | -51.1 | 104.1 | 0 | 0 | 0 | 115.9 | D1304 V1309 | D1304-H1307 HydrophobicContact CB-CB 4.46Å; D1304-H1307 PolarHBondContact O-N 2.84Å; D1304-H1307 PolarHBondContact OD1-N 3.29Å; D1304-H1307 IonicContact OD1-ND1 3.44Å; D1304-H1307 PolarHBondContact OD1-ND1 2.85Å; D1304-H1307 IonicContact OD2-CE1 3.93Å; D1304-H1307 IonicContact OD2-CG 3.61Å; D1304-H1307 IonicContact OD2-ND1 2.83Å; D1304-H1307 PolarHBondContact OD2-ND1 3.23Å; H1307-V1309 HydrophobicContact CB-CG2 3.89Å; H1307-V1309 PolarHBondContact O-N 2.99Å |
| 1308 | G | 78.6 | Confident | 76.9 | Confident | 18 Ų | 18 | 46 Ų | 46 | 19% | 0.186 | 25% | 0.248 | C | C | . | . | trans | 69.6 | 7.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | C1292 D1304 C1310 | C1292-G1308 PolarHBondContact SG-O 2.04Å; C1292-G1308 VanDerWaalsContact SG-O 3.38Å; D1304-G1308 WeakPolarHBondContact O-CA 3.23Å; D1304-G1308 PolarHBondContact O-N 2.9Å; G1308-C1310 PolarHBondContact O-N 2.79Å | ||
| 1309 | V | 81.7 | Confident | 76.6 | Confident | 87 Ų | 87 | 50.1 Ų | 50.1 | 53% | 0.527 | 28% | 0.277 | S | S | . | . | trans | -73.5 | 125.8 | 179.8 | 178.3 | 0 | 0 | 0 | 0 | 109.6 | D1304 H1307 Y1311 | D1304-V1309 HydrophobicContact CB-CB 4.12Å; D1304-V1309 VanDerWaalsContact CB-O 3.29Å; D1304-V1309 WeakPolarHBondContact CB-O 3.46Å; D1304-V1309 PolarHBondContact N-O 2.79Å; H1307-V1309 HydrophobicContact CB-CG2 3.89Å; H1307-V1309 PolarHBondContact O-N 2.99Å; V1309-Y1311 PolarHBondContact O-N 2.05Å | ||
| 1310 | C | 80.4 | Confident | 76.6 | Confident | 27 Ų | 27 | 48.6 Ų | 48.6 | 18% | 0.182 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 121.3 | 176.7 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | C1294 M1301 L1302 G1308 | C1294-C1310 WeakPolarHBondContact CA-SG 3.34Å; C1294-C1310 HydrophobicContact CB-CB 3.9Å; C1294-C1310 WeakPolarHBondContact CB-SG 3.23Å; C1294-C1310 WeakPolarHBondContact SG-CA 3.42Å; C1294-C1310 WeakPolarHBondContact SG-CB 3Å; C1294-C1310 CovalentContact SG-SG 2.04Å; C1294-C1310 PolarHBondContact SG-SG 3.49Å; M1301-C1310 HydrophobicContact CB-CB 4.25Å; M1301-C1310 HydrophobicContact CE-CB 3.75Å; M1301-C1310 HydrophobicContact SD-CB 4.04Å; L1302-C1310 CarbonylContact O-C 3.55Å; L1302-C1310 VanDerWaalsContact O-CA 3.26Å; L1302-C1310 WeakPolarHBondContact O-CA 3.04Å; G1308-C1310 PolarHBondContact O-N 2.79Å |
| 1311 | Y | 80.4 | Confident | 76.6 | Confident | 86 Ų | 86 | 47.1 Ų | 47.1 | 34% | 0.337 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 163.6 | 175.5 | 66.8 | -85.8 | 0 | 0 | 0 | 111.3 | M1301 L1302 D1304 V1309 | M1301-Y1311 CarbonylContact C-O 3.58Å; M1301-Y1311 VanDerWaalsContact CA-O 3.3Å; M1301-Y1311 WeakPolarHBondContact CA-O 3.48Å; L1302-Y1311 HydrophobicContact CB-CD1 4.26Å; L1302-Y1311 HydrophobicContact CB-CD2 4.21Å; L1302-Y1311 HydrophobicContact CB-CE1 3.81Å; L1302-Y1311 HydrophobicContact CB-CE2 3.77Å; L1302-Y1311 HydrophobicContact CB-CG 4.44Å; L1302-Y1311 HydrophobicContact CD1-CD2 4.45Å; L1302-Y1311 HydrophobicContact CD1-CE2 3.59Å; L1302-Y1311 HydrophobicContact CG-CE2 4.33Å; L1302-Y1311 PolarHBondContact N-O 3.12Å; L1302-Y1311 PolarHBondContact O-N 3.17Å; D1304-Y1311 HydrophobicContact CB-CD1 4.32Å; D1304-Y1311 HydrophobicContact CB-CE1 4.25Å; V1309-Y1311 PolarHBondContact O-N 2.05Å |
| 1312 | C | 77.4 | Confident | 76.4 | Confident | 8 Ų | 8 | 52.6 Ų | 52.6 | 5% | 0.054 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 138.8 | -176.9 | -60.3 | 0 | 0 | 0 | 0 | 112.8 | W1316 G1318 C1321 | C1312-W1316 HydrophobicContact CB-CB 4.05Å; C1312-G1318 PolarHBondContact SG-O 2.85Å; C1312-C1321 WeakPolarHBondContact CA-SG 3.31Å; C1312-C1321 HydrophobicContact CB-CB 3.86Å; C1312-C1321 WeakPolarHBondContact CB-SG 3.48Å; C1312-C1321 VanDerWaalsContact SG-CA 3.51Å; C1312-C1321 WeakPolarHBondContact SG-CB 3.45Å; C1312-C1321 CovalentContact SG-SG 2.04Å; C1312-C1321 PolarHBondContact SG-SG 2.85Å |
| 1313 | R | 74.8 | Confident | 76.5 | Confident | 68 Ų | 68 | 54 Ų | 54 | 26% | 0.257 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -51.2 | 142.7 | 160.4 | -72.7 | -177.2 | -167.6 | -83.7 | -1.5 | 109 | E1281 N1299 N1300 L1302 G1315 W1316 | E1281-R1313 VanDerWaalsContact CD-NH2 3.26Å; E1281-R1313 IonicContact OE1-CZ 3.45Å; E1281-R1313 IonicContact OE1-NH1 3.55Å; E1281-R1313 PolarHBondContact OE1-NH1 2.91Å; E1281-R1313 IonicContact OE1-NH2 3.32Å; E1281-R1313 PolarHBondContact OE1-NH2 3.43Å; E1281-R1313 IonicContact OE2-CZ 3.59Å; E1281-R1313 IonicContact OE2-NH1 2.72Å; E1281-R1313 IonicContact OE2-NH2 2.71Å; E1281-R1313 PolarHBondContact OE2-NH2 3.27Å; N1299-R1313 PolarHBondContact O-NE 3.12Å; N1299-R1313 VanDerWaalsContact O-NE 3.15Å; N1300-R1313 WeakPolarHBondContact O-CG 3.37Å; N1300-R1313 PolarHBondContact O-N 3.27Å; L1302-R1313 HydrophobicContact CD1-CB 4.47Å; L1302-R1313 HydrophobicContact CD1-CG 3.89Å; L1302-R1313 HydrophobicContact CD2-CG 4.38Å; L1302-R1313 HydrophobicContact CG-CG 3.69Å; R1313-G1315 PolarHBondContact O-N 2.81Å; R1313-W1316 PolarHBondContact O-N 3.19Å |
| 1314 | P | 72.7 | Confident | 76.1 | Confident | 47 Ų | 47 | 60.1 Ų | 60.1 | 31% | 0.305 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.4 | 139.8 | 173.7 | -27.7 | 35.2 | 0 | 0 | 0 | 111.5 | I1332 D1349 | P1314-I1332 HydrophobicContact CG-CG1 4.13Å; P1314-D1349 WeakPolarHBondContact CB-O 3.09Å |
| 1315 | G | 71.4 | Confident | 76 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.8 | -2.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | R1313 R1324 C1325 G1331 P1348 | R1313-G1315 PolarHBondContact O-N 2.81Å; G1315-R1324 CarbonylContact O-C 3.58Å; G1315-R1324 WeakPolarHBondContact O-CA 3.04Å; G1315-C1325 WeakPolarHBondContact CA-SG 3.04Å; G1315-C1325 PolarHBondContact O-N 3.44Å; G1315-C1325 PolarHBondContact O-SG 3.05Å; G1315-G1331 PolarHBondContact N-O 3.28Å; G1315-P1348 VanDerWaalsContact CA-O 3.23Å; G1315-P1348 WeakPolarHBondContact CA-O 3.02Å; G1315-P1348 PolarHBondContact N-O 3.14Å |
| 1316 | W | 77.4 | Confident | 76.1 | Confident | 42 Ų | 42 | 60.7 Ų | 60.7 | 16% | 0.159 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 155.5 | 178.1 | -60.8 | 86.6 | 0 | 0 | 0 | 113.6 | N1300 C1312 R1313 C1321 S1323 R1324 | N1300-W1316 HydrophobicContact CB-CD2 4.06Å; N1300-W1316 HydrophobicContact CB-CG 4.09Å; N1300-W1316 VanDerWaalsContact ND2-CD2 3.3Å; N1300-W1316 WeakPolarHBondContact ND2-CH2 3.39Å; N1300-W1316 WeakPolarHBondContact ND2-CZ2 3.04Å; N1300-W1316 WeakPolarHBondContact ND2-CZ3 3.1Å; C1312-W1316 HydrophobicContact CB-CB 4.05Å; R1313-W1316 PolarHBondContact O-N 3.19Å; W1316-C1321 HydrophobicContact CB-CB 4.18Å; W1316-C1321 VanDerWaalsContact CE3-O 3.3Å; W1316-S1323 CarbonylContact C-O 3.59Å; W1316-S1323 WeakPolarHBondContact CA-O 3.04Å; W1316-R1324 HydrophobicContact CD2-CG 4.24Å; W1316-R1324 HydrophobicContact CE3-CG 3.92Å; W1316-R1324 HydrophobicContact CH2-CG 3.86Å; W1316-R1324 HydrophobicContact CZ2-CG 4.16Å; W1316-R1324 HydrophobicContact CZ3-CG 3.72Å |
| 1317 | L | 75.9 | Confident | 75.9 | Confident | 63 Ų | 63 | 61.9 Ų | 61.9 | 33% | 0.33 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 155.3 | -168 | 178.9 | 63.3 | 0 | 0 | 0 | 111.4 | C1321 I1322 S1323 | L1317-C1321 CarbonylContact O-C 3.52Å; L1317-C1321 WeakPolarHBondContact O-CA 3.43Å; L1317-I1322 PolarHBondContact O-N 3.42Å; L1317-S1323 PolarHBondContact N-O 3.17Å; L1317-S1323 PolarHBondContact O-N 3.18Å; L1317-S1323 PolarHBondContact O-OG 3.02Å; L1317-S1323 VanDerWaalsContact O-OG 3.1Å |
| 1318 | G | 71.4 | Confident | 75.8 | Confident | 28 Ų | 28 | 57.7 Ų | 57.7 | 29% | 0.289 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89 | 164.9 | 172 | 0 | 0 | 0 | 0 | 0 | 113.9 | C1312 N1320 C1321 | C1312-G1318 PolarHBondContact SG-O 2.85Å; G1318-N1320 PolarHBondContact O-N 2.89Å; G1318-N1320 VanDerWaalsContact O-N 3.07Å; G1318-C1321 PolarHBondContact O-N 3.38Å |
| 1319 | P | 69 | Low | 76 | Confident | 123 Ų | 123 | 61.7 Ų | 61.7 | 80% | 0.799 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -25.2 | -166 | 23.1 | -34.5 | 0 | 0 | 0 | 114.8 | M1301 | M1301-P1319 VanDerWaalsContact CE-O 3.25Å; M1301-P1319 WeakPolarHBondContact CE-O 3.15Å |
| 1320 | N | 72.3 | Confident | 76.1 | Confident | 79 Ų | 79 | 59.8 Ų | 59.8 | 42% | 0.422 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | 19.5 | 175.6 | -65 | -8.1 | 0 | 0 | 0 | 112 | N1298 G1318 I1322 | N1298-N1320 WeakPolarHBondContact CB-O 3.21Å; N1298-N1320 PolarHBondContact ND2-O 2.85Å; G1318-N1320 PolarHBondContact O-N 2.89Å; G1318-N1320 VanDerWaalsContact O-N 3.07Å; N1320-I1322 VanDerWaalsContact C-N 3.32Å; N1320-I1322 HydrophobicContact CB-CD1 3.89Å; N1320-I1322 HydrophobicContact CB-CG1 3.85Å; N1320-I1322 WeakPolarHBondContact O-CG1 3.29Å; N1320-I1322 PolarHBondContact O-N 3.32Å |
| 1321 | C | 74.3 | Confident | 75.4 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 42 | 176.6 | -47.3 | 0 | 0 | 0 | 0 | 114.7 | N1298 N1300 M1301 C1312 W1316 L1317 G1318 | N1298-C1321 PolarHBondContact ND2-O 2.74Å; N1300-C1321 HydrophobicContact CB-CB 3.77Å; N1300-C1321 PolarHBondContact ND2-O 2.01Å; M1301-C1321 HydrophobicContact CG-CB 4.13Å; M1301-C1321 WeakPolarHBondContact CG-SG 3.06Å; C1312-C1321 WeakPolarHBondContact CA-SG 3.31Å; C1312-C1321 HydrophobicContact CB-CB 3.86Å; C1312-C1321 WeakPolarHBondContact CB-SG 3.48Å; C1312-C1321 VanDerWaalsContact SG-CA 3.51Å; C1312-C1321 WeakPolarHBondContact SG-CB 3.45Å; C1312-C1321 CovalentContact SG-SG 2.04Å; C1312-C1321 PolarHBondContact SG-SG 2.85Å; W1316-C1321 HydrophobicContact CB-CB 4.18Å; W1316-C1321 VanDerWaalsContact CE3-O 3.3Å; L1317-C1321 CarbonylContact O-C 3.52Å; L1317-C1321 WeakPolarHBondContact O-CA 3.43Å; G1318-C1321 PolarHBondContact O-N 3.38Å |
| 1322 | I | 75.9 | Confident | 74.9 | Confident | 124 Ų | 124 | 58.2 Ų | 58.2 | 64% | 0.636 | 33% | 0.33 | S | S | * | . | trans | -89.2 | -37.2 | -173.4 | -55.4 | 176.2 | 0 | 0 | 0 | 111.2 | L1317 N1320 | L1317-I1322 PolarHBondContact O-N 3.42Å; N1320-I1322 VanDerWaalsContact C-N 3.32Å; N1320-I1322 HydrophobicContact CB-CD1 3.89Å; N1320-I1322 HydrophobicContact CB-CG1 3.85Å; N1320-I1322 WeakPolarHBondContact O-CG1 3.29Å; N1320-I1322 PolarHBondContact O-N 3.32Å | ||
| 1323 | S | 75.5 | Confident | 74.5 | Confident | 53 Ų | 53 | 62.5 Ų | 62.5 | 37% | 0.371 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 141.8 | 177.3 | 30.3 | 0 | 0 | 0 | 0 | 110.9 | W1316 L1317 | W1316-S1323 CarbonylContact C-O 3.59Å; W1316-S1323 WeakPolarHBondContact CA-O 3.04Å; L1317-S1323 PolarHBondContact N-O 3.17Å; L1317-S1323 PolarHBondContact O-N 3.18Å; L1317-S1323 PolarHBondContact O-OG 3.02Å; L1317-S1323 VanDerWaalsContact O-OG 3.1Å |
| 1324 | R | 74.8 | Confident | 74.6 | Confident | 139 Ų | 139 | 59.9 Ų | 59.9 | 53% | 0.525 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 164.8 | 161.8 | -72.5 | -178.2 | 173.2 | -90.3 | 5.2 | 110.1 | G1315 W1316 | G1315-R1324 CarbonylContact O-C 3.58Å; G1315-R1324 WeakPolarHBondContact O-CA 3.04Å; W1316-R1324 HydrophobicContact CD2-CG 4.24Å; W1316-R1324 HydrophobicContact CE3-CG 3.92Å; W1316-R1324 HydrophobicContact CH2-CG 3.86Å; W1316-R1324 HydrophobicContact CZ2-CG 4.16Å; W1316-R1324 HydrophobicContact CZ3-CG 3.72Å |
| 1325 | C | 75.7 | Confident | 74.9 | Confident | 15 Ų | 15 | 63.3 Ų | 63.3 | 10% | 0.101 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 145.1 | 172.1 | -66.7 | 0 | 0 | 0 | 0 | 112.9 | G1315 Y1329 C1334 P1348 | G1315-C1325 WeakPolarHBondContact CA-SG 3.04Å; G1315-C1325 PolarHBondContact O-N 3.44Å; G1315-C1325 PolarHBondContact O-SG 3.05Å; C1325-Y1329 VanDerWaalsContact CB-O 3.29Å; C1325-Y1329 WeakPolarHBondContact CB-O 3.39Å; C1325-C1334 WeakPolarHBondContact CA-SG 2.99Å; C1325-C1334 HydrophobicContact CB-CB 3.69Å; C1325-C1334 WeakPolarHBondContact CB-SG 3.01Å; C1325-C1334 WeakPolarHBondContact SG-CA 3.42Å; C1325-C1334 WeakPolarHBondContact SG-CB 3.3Å; C1325-C1334 CovalentContact SG-SG 2.03Å; C1325-C1334 PolarHBondContact SG-SG 2.86Å; C1325-P1348 HydrophobicContact CB-CB 4.1Å |
| 1326 | P | 79.7 | Confident | 75.2 | Confident | 70 Ų | 70 | 67.4 Ų | 67.4 | 46% | 0.455 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 150.4 | 171.3 | -23.2 | 33.9 | 0 | 0 | 0 | 111.7 | G1328 Y1329 | P1326-G1328 PolarHBondContact O-N 2.9Å; P1326-G1328 VanDerWaalsContact O-N 3.16Å; P1326-Y1329 HydrophobicContact CB-CD2 4.08Å; P1326-Y1329 PolarHBondContact O-N 2.03Å |
| 1327 | A | 73 | Confident | 75.4 | Confident | 108 Ų | 108 | 70.7 Ų | 70.7 | 89% | 0.893 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 122.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 1328 | G | 79.4 | Confident | 75.4 | Confident | 26 Ų | 26 | 68.6 Ų | 68.6 | 27% | 0.268 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.7 | -6.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | P1326 C1338 C1346 | P1326-G1328 PolarHBondContact O-N 2.9Å; P1326-G1328 VanDerWaalsContact O-N 3.16Å; G1328-C1338 WeakPolarHBondContact O-CB 3.47Å; G1328-C1338 PolarHBondContact O-N 3.49Å; G1328-C1346 VanDerWaalsContact C-SG 3.58Å |
| 1329 | Y | 83.1 | Confident | 76 | Confident | 103 Ų | 103 | 73.4 Ų | 73.4 | 40% | 0.404 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 149.6 | -177.4 | -68.4 | -96.1 | 0 | 0 | 0 | 113.5 | C1325 P1326 C1334 H1336 E1337 | C1325-Y1329 VanDerWaalsContact CB-O 3.29Å; C1325-Y1329 WeakPolarHBondContact CB-O 3.39Å; P1326-Y1329 HydrophobicContact CB-CD2 4.08Å; P1326-Y1329 PolarHBondContact O-N 2.03Å; Y1329-C1334 WeakPolarHBondContact CD1-O 3.42Å; Y1329-H1336 CarbonylContact C-O 3.58Å; Y1329-H1336 VanDerWaalsContact CA-O 3.23Å; Y1329-H1336 WeakPolarHBondContact CA-O 3.38Å; Y1329-E1337 HydrophobicContact CE1-CB 4.36Å |
| 1330 | F | 83.2 | Confident | 76.6 | Confident | 46 Ų | 46 | 69.4 Ų | 69.4 | 20% | 0.202 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 170.6 | -176.7 | 76.7 | -90 | 0 | 0 | 0 | 115.2 | C1334 Q1335 H1336 P1348 G1351 | F1330-C1334 CarbonylContact O-C 3.58Å; F1330-C1334 VanDerWaalsContact O-C 3.28Å; F1330-C1334 WeakPolarHBondContact O-CA 3.34Å; F1330-Q1335 PolarHBondContact O-N 3.43Å; F1330-H1336 HydrophobicContact CD1-CB 3.69Å; F1330-H1336 WeakPolarHBondContact CD1-O 3.38Å; F1330-H1336 HydrophobicContact CD2-CB 4.04Å; F1330-H1336 HydrophobicContact CE1-CB 3.37Å; F1330-H1336 HydrophobicContact CE2-CB 3.75Å; F1330-H1336 AromaticContact CE2-CD2 3.86Å; F1330-H1336 HydrophobicContact CG-CB 4.03Å; F1330-H1336 HydrophobicContact CZ-CB 3.41Å; F1330-H1336 VanDerWaalsContact CZ-CB 3.41Å; F1330-H1336 PolarHBondContact N-O 2.86Å; F1330-H1336 PolarHBondContact O-N 2.98Å; F1330-P1348 CarbonylContact C-O 3.35Å; F1330-P1348 WeakPolarHBondContact CA-O 3.5Å; F1330-P1348 VanDerWaalsContact CB-O 3.24Å; F1330-P1348 WeakPolarHBondContact CB-O 3.27Å; F1330-G1351 VanDerWaalsContact CD2-N 3.3Å |
| 1331 | G | 66.6 | Low | 77 | Confident | 8 Ų | 8 | 72.1 Ų | 72.1 | 8% | 0.082 | 38% | 0.378 | C | S | . | . | S | Bend | trans | 92.1 | -167.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114 | G1315 N1333 C1334 P1348 | G1315-G1331 PolarHBondContact N-O 3.28Å; G1331-N1333 PolarHBondContact O-N 2.93Å; G1331-C1334 PolarHBondContact O-N 3.07Å; G1331-P1348 PolarHBondContact N-O 3.15Å |
| 1332 | I | 68.5 | Low | 77.1 | Confident | 72 Ų | 72 | 75.1 Ų | 75.1 | 37% | 0.369 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -62.3 | 132.7 | 171.2 | -67.2 | 174.8 | 0 | 0 | 0 | 108.3 | P1314 C1334 Q1335 | P1314-I1332 HydrophobicContact CG-CG1 4.13Å; I1332-C1334 PolarHBondContact O-N 3.17Å; I1332-Q1335 VanDerWaalsContact O-CD 3.24Å; I1332-Q1335 VanDerWaalsContact O-CG 3.27Å; I1332-Q1335 WeakPolarHBondContact O-CG 3.38Å; I1332-Q1335 PolarHBondContact O-N 3.18Å; I1332-Q1335 PolarHBondContact O-OE1 3.39Å |
| 1333 | N | 69.5 | Low | 77.1 | Confident | 99 Ų | 99 | 75.5 Ų | 75.5 | 53% | 0.529 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | 49.6 | 22.8 | -177.4 | -63.9 | -30.2 | 0 | 0 | 0 | 115 | G1331 Q1335 | G1331-N1333 PolarHBondContact O-N 2.93Å; N1333-Q1335 PolarHBondContact O-N 2.83Å |
| 1334 | C | 76.6 | Confident | 77.1 | Confident | 12 Ų | 12 | 73.6 Ų | 73.6 | 8% | 0.081 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | 60.3 | 28.5 | 178 | -45.8 | 0 | 0 | 0 | 0 | 114.7 | C1325 Y1329 F1330 G1331 I1332 H1336 | C1325-C1334 WeakPolarHBondContact CA-SG 2.99Å; C1325-C1334 HydrophobicContact CB-CB 3.69Å; C1325-C1334 WeakPolarHBondContact CB-SG 3.01Å; C1325-C1334 WeakPolarHBondContact SG-CA 3.42Å; C1325-C1334 WeakPolarHBondContact SG-CB 3.3Å; C1325-C1334 CovalentContact SG-SG 2.03Å; C1325-C1334 PolarHBondContact SG-SG 2.86Å; Y1329-C1334 WeakPolarHBondContact CD1-O 3.42Å; F1330-C1334 CarbonylContact O-C 3.58Å; F1330-C1334 VanDerWaalsContact O-C 3.28Å; F1330-C1334 WeakPolarHBondContact O-CA 3.34Å; G1331-C1334 PolarHBondContact O-N 3.07Å; I1332-C1334 PolarHBondContact O-N 3.17Å; C1334-H1336 VanDerWaalsContact C-N 3.27Å; C1334-H1336 PolarHBondContact O-N 2.58Å |
| 1335 | Q | 80.4 | Confident | 77.4 | Confident | 119 Ų | 119 | 71.4 Ų | 71.4 | 56% | 0.556 | 39% | 0.388 | S | S | * | . | trans | -74.7 | -1.3 | -168.7 | 72.1 | -163.7 | 8.7 | 0 | 0 | 116 | F1330 I1332 N1333 | F1330-Q1335 PolarHBondContact O-N 3.43Å; I1332-Q1335 VanDerWaalsContact O-CD 3.24Å; I1332-Q1335 VanDerWaalsContact O-CG 3.27Å; I1332-Q1335 WeakPolarHBondContact O-CG 3.38Å; I1332-Q1335 PolarHBondContact O-N 3.18Å; I1332-Q1335 PolarHBondContact O-OE1 3.39Å; N1333-Q1335 PolarHBondContact O-N 2.83Å | ||
| 1336 | H | 77.5 | Confident | 77.7 | Confident | 86 Ų | 86 | 71.5 Ų | 71.5 | 40% | 0.398 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 146 | -176.7 | -55.6 | -55 | 0 | 0 | 0 | 112.6 | Y1329 F1330 C1334 | Y1329-H1336 CarbonylContact C-O 3.58Å; Y1329-H1336 VanDerWaalsContact CA-O 3.23Å; Y1329-H1336 WeakPolarHBondContact CA-O 3.38Å; F1330-H1336 HydrophobicContact CD1-CB 3.69Å; F1330-H1336 WeakPolarHBondContact CD1-O 3.38Å; F1330-H1336 HydrophobicContact CD2-CB 4.04Å; F1330-H1336 HydrophobicContact CE1-CB 3.37Å; F1330-H1336 HydrophobicContact CE2-CB 3.75Å; F1330-H1336 AromaticContact CE2-CD2 3.86Å; F1330-H1336 HydrophobicContact CG-CB 4.03Å; F1330-H1336 HydrophobicContact CZ-CB 3.41Å; F1330-H1336 VanDerWaalsContact CZ-CB 3.41Å; F1330-H1336 PolarHBondContact N-O 2.86Å; F1330-H1336 PolarHBondContact O-N 2.98Å; C1334-H1336 VanDerWaalsContact C-N 3.27Å; C1334-H1336 PolarHBondContact O-N 2.58Å |
| 1337 | E | 81.9 | Confident | 77.6 | Confident | 112 Ų | 112 | 70.9 Ų | 70.9 | 52% | 0.523 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 130.1 | -178.1 | -175.8 | -162.9 | -150.7 | 0 | 0 | 111.9 | Y1329 K1339 | Y1329-E1337 HydrophobicContact CE1-CB 4.36Å; E1337-K1339 WeakPolarHBondContact OE2-CE 3.31Å; E1337-K1339 IonicContact OE2-NZ 2.72Å; E1337-K1339 PolarHBondContact OE2-NZ 3.16Å |
| 1338 | C | 75.5 | Confident | 77.5 | Confident | 19 Ų | 19 | 67.1 Ų | 67.1 | 13% | 0.128 | 35% | 0.346 | C | S | . | . | trans | -81.5 | 139.3 | 174.1 | -78.8 | 0 | 0 | 0 | 0 | 113 | G1328 C1346 G1351 | G1328-C1338 WeakPolarHBondContact O-CB 3.47Å; G1328-C1338 PolarHBondContact O-N 3.49Å; C1338-C1346 HydrophobicContact CB-CB 3.39Å; C1338-C1346 WeakPolarHBondContact CB-SG 3.41Å; C1338-C1346 WeakPolarHBondContact SG-CB 3.01Å; C1338-C1346 CovalentContact SG-SG 2.03Å; C1338-C1346 PolarHBondContact SG-SG 3.36Å; C1338-G1351 PolarHBondContact SG-O 3.43Å | ||
| 1339 | K | 82.9 | Confident | 76.9 | Confident | 129 Ų | 129 | 68.9 Ų | 68.9 | 56% | 0.561 | 35% | 0.349 | S | S | * | . | trans | -117.4 | 54 | -179.1 | -62.9 | -172.3 | 174.6 | 178.2 | 0 | 113.1 | E1337 R1363 | E1337-K1339 WeakPolarHBondContact OE2-CE 3.31Å; E1337-K1339 IonicContact OE2-NZ 2.72Å; E1337-K1339 PolarHBondContact OE2-NZ 3.16Å; K1339-R1363 WeakPolarHBondContact O-CB 3.49Å; K1339-R1363 VanDerWaalsContact O-CD 3.28Å; K1339-R1363 WeakPolarHBondContact O-CD 3.27Å; K1339-R1363 WeakPolarHBondContact O-CG 3.34Å | ||
| 1340 | C | 83 | Confident | 76.6 | Confident | 39 Ų | 39 | 68.1 Ų | 68.1 | 26% | 0.264 | 35% | 0.352 | S | S | . | . | trans | -73.4 | 143.5 | -178.4 | -48.4 | 0 | 0 | 0 | 0 | 112.7 | G1344 C1353 | C1340-G1344 WeakPolarHBondContact CB-O 3.39Å; C1340-C1353 WeakPolarHBondContact CA-SG 3.01Å; C1340-C1353 HydrophobicContact CB-CB 3.88Å; C1340-C1353 WeakPolarHBondContact CB-SG 3.33Å; C1340-C1353 WeakPolarHBondContact SG-CB 3.38Å; C1340-C1353 CovalentContact SG-SG 2.04Å; C1340-C1353 PolarHBondContact SG-SG 3.17Å | ||
| 1341 | K | 80.3 | Confident | 76.3 | Confident | 136 Ų | 136 | 66.7 Ų | 66.7 | 59% | 0.591 | 35% | 0.35 | S | S | * | . | trans | -103.8 | 178.7 | 166.7 | -63.8 | -166.1 | 173.3 | -170.8 | 0 | 110.3 | N1343 G1344 R1363 Q1365 | K1341-N1343 VanDerWaalsContact C-N 3.26Å; K1341-N1343 PolarHBondContact O-N 3.12Å; K1341-N1343 VanDerWaalsContact O-N 3.12Å; K1341-G1344 PolarHBondContact O-N 2.79Å; K1341-R1363 WeakPolarHBondContact CA-O 3.24Å; K1341-R1363 WeakPolarHBondContact CB-O 3.35Å; K1341-R1363 PolarHBondContact N-O 3.06Å; K1341-Q1365 HydrophobicContact CD-CB 4.14Å | ||
| 1342 | N | 75.4 | Confident | 76.9 | Confident | 63 Ų | 63 | 69.4 Ų | 69.4 | 34% | 0.337 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 45.9 | 170.4 | -58.5 | -15.6 | 0 | 0 | 0 | 113.2 | G1344 Q1356 Y1359 C1364 | N1342-G1344 PolarHBondContact O-N 3.16Å; N1342-G1344 VanDerWaalsContact O-N 3.08Å; N1342-Q1356 VanDerWaalsContact O-CD 3.3Å; N1342-Q1356 WeakPolarHBondContact O-CG 3.33Å; N1342-Q1356 PolarHBondContact O-NE2 2.74Å; N1342-Q1356 VanDerWaalsContact O-NE2 3.09Å; N1342-Y1359 HydrophobicContact CB-CD1 4.02Å; N1342-Y1359 HydrophobicContact CB-CD2 4.39Å; N1342-Y1359 HydrophobicContact CB-CE1 4.2Å; N1342-Y1359 HydrophobicContact CB-CG 4.11Å; N1342-Y1359 VanDerWaalsContact ND2-CD1 3.33Å; N1342-Y1359 WeakPolarHBondContact ND2-CD1 3.33Å; N1342-Y1359 WeakPolarHBondContact ND2-CE1 3.27Å; N1342-C1364 WeakPolarHBondContact CB-O 3.04Å; N1342-C1364 PolarHBondContact ND2-O 3.4Å |
| 1343 | N | 76.8 | Confident | 77.6 | Confident | 132 Ų | 132 | 66.5 Ų | 66.5 | 71% | 0.706 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 25.3 | -176.5 | -59.9 | -9.1 | 0 | 0 | 0 | 115.7 | K1341 | K1341-N1343 VanDerWaalsContact C-N 3.26Å; K1341-N1343 PolarHBondContact O-N 3.12Å; K1341-N1343 VanDerWaalsContact O-N 3.12Å |
| 1344 | G | 75.8 | Confident | 78.1 | Confident | 13 Ų | 13 | 64.8 Ų | 64.8 | 13% | 0.134 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 135.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | C1340 K1341 N1342 I1354 | C1340-G1344 WeakPolarHBondContact CB-O 3.39Å; K1341-G1344 PolarHBondContact O-N 2.79Å; N1342-G1344 PolarHBondContact O-N 3.16Å; N1342-G1344 VanDerWaalsContact O-N 3.08Å; G1344-I1354 CarbonylContact C-O 3.5Å; G1344-I1354 WeakPolarHBondContact CA-O 3.21Å |
| 1345 | V | 81.2 | Confident | 78.3 | Confident | 93 Ų | 93 | 64.3 Ų | 64.3 | 56% | 0.564 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96 | 129.7 | -177 | -179.5 | 0 | 0 | 0 | 0 | 110.2 | H1347 I1354 | V1345-H1347 PolarHBondContact O-N 3.49Å; V1345-I1354 HydrophobicContact CB-CB 4.4Å; V1345-I1354 PolarHBondContact N-O 3.43Å; V1345-I1354 WeakPolarHBondContact O-CB 3.41Å; V1345-I1354 PolarHBondContact O-N 3.24Å |
| 1346 | C | 81 | Confident | 78.3 | Confident | 16 Ų | 16 | 62.2 Ų | 62.2 | 11% | 0.108 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 124.3 | 175.4 | -174.8 | 0 | 0 | 0 | 0 | 111.4 | G1328 C1338 P1348 | G1328-C1346 VanDerWaalsContact C-SG 3.58Å; C1338-C1346 HydrophobicContact CB-CB 3.39Å; C1338-C1346 WeakPolarHBondContact CB-SG 3.41Å; C1338-C1346 WeakPolarHBondContact SG-CB 3.01Å; C1338-C1346 CovalentContact SG-SG 2.03Å; C1338-C1346 PolarHBondContact SG-SG 3.36Å; C1346-P1348 WeakPolarHBondContact O-CD 3.41Å |
| 1347 | H | 77.6 | Confident | 78.4 | Confident | 58 Ų | 58 | 59.6 Ų | 59.6 | 27% | 0.269 | 32% | 0.322 | S | S | . | . | trans | -75.9 | 114.7 | 170.7 | -167.5 | -65.1 | 0 | 0 | 0 | 109.4 | V1345 D1349 N1350 G1351 T1352 I1354 | V1345-H1347 PolarHBondContact O-N 3.49Å; H1347-D1349 VanDerWaalsContact C-N 3.25Å; H1347-D1349 IonicContact CE1-OD2 3.32Å; H1347-D1349 PolarHBondContact CE1-OD2 3.31Å; H1347-D1349 PolarHBondContact ND1-N 2.74Å; H1347-D1349 PolarHBondContact O-N 2.59Å; H1347-N1350 WeakPolarHBondContact CB-OD1 3.4Å; H1347-N1350 PolarHBondContact O-N 3.08Å; H1347-G1351 WeakPolarHBondContact O-CA 3.3Å; H1347-G1351 PolarHBondContact O-N 2.89Å; H1347-T1352 VanDerWaalsContact CB-O 3.24Å; H1347-T1352 WeakPolarHBondContact CB-O 3.29Å; H1347-T1352 PolarHBondContact N-O 3.14Å; H1347-I1354 HydrophobicContact CB-CD1 4.09Å; H1347-I1354 HydrophobicContact CB-CG1 4.14Å | ||
| 1348 | P | 71 | Confident | 78.4 | Confident | 28 Ų | 28 | 54.4 Ų | 54.4 | 18% | 0.182 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -31 | -168.9 | 22.4 | -31.7 | 0 | 0 | 0 | 113.1 | G1315 C1325 F1330 G1331 C1346 | G1315-P1348 VanDerWaalsContact CA-O 3.23Å; G1315-P1348 WeakPolarHBondContact CA-O 3.02Å; G1315-P1348 PolarHBondContact N-O 3.14Å; C1325-P1348 HydrophobicContact CB-CB 4.1Å; F1330-P1348 CarbonylContact C-O 3.35Å; F1330-P1348 WeakPolarHBondContact CA-O 3.5Å; F1330-P1348 VanDerWaalsContact CB-O 3.24Å; F1330-P1348 WeakPolarHBondContact CB-O 3.27Å; G1331-P1348 PolarHBondContact N-O 3.15Å; C1346-P1348 WeakPolarHBondContact O-CD 3.41Å |
| 1349 | D | 68.2 | Low | 78.8 | Confident | 64 Ų | 64 | 56.3 Ų | 56.3 | 34% | 0.342 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -27.5 | -172.7 | -43.1 | -11.6 | 0 | 0 | 0 | 112.8 | P1314 H1347 | P1314-D1349 WeakPolarHBondContact CB-O 3.09Å; H1347-D1349 VanDerWaalsContact C-N 3.25Å; H1347-D1349 IonicContact CE1-OD2 3.32Å; H1347-D1349 PolarHBondContact CE1-OD2 3.31Å; H1347-D1349 PolarHBondContact ND1-N 2.74Å; H1347-D1349 PolarHBondContact O-N 2.59Å |
| 1350 | N | 75.9 | Confident | 78.9 | Confident | 87 Ų | 87 | 54.4 Ų | 54.4 | 47% | 0.465 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.6 | -5.2 | -170.9 | 73.9 | 7.7 | 0 | 0 | 0 | 116.4 | H1347 T1352 | H1347-N1350 WeakPolarHBondContact CB-OD1 3.4Å; H1347-N1350 PolarHBondContact O-N 3.08Å; N1350-T1352 VanDerWaalsContact C-N 3.32Å; N1350-T1352 PolarHBondContact O-N 2.83Å; N1350-T1352 WeakPolarHBondContact OD1-CB 3.43Å; N1350-T1352 WeakPolarHBondContact OD1-CG2 2.88Å; N1350-T1352 PolarHBondContact OD1-N 2.88Å; N1350-T1352 PolarHBondContact OD1-OG1 2.82Å |
| 1351 | G | 76.2 | Confident | 78.4 | Confident | 15 Ų | 15 | 53.8 Ų | 53.8 | 16% | 0.155 | 29% | 0.293 | C | S | . | . | trans | 80.4 | 1.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | F1330 C1338 H1347 | F1330-G1351 VanDerWaalsContact CD2-N 3.3Å; C1338-G1351 PolarHBondContact SG-O 3.43Å; H1347-G1351 WeakPolarHBondContact O-CA 3.3Å; H1347-G1351 PolarHBondContact O-N 2.89Å | ||
| 1352 | T | 79.7 | Confident | 78.1 | Confident | 66 Ų | 66 | 55.2 Ų | 55.2 | 41% | 0.405 | 30% | 0.302 | S | S | . | . | trans | -68.5 | 141.3 | 176 | 58.3 | 0 | 0 | 0 | 0 | 111.2 | H1347 N1350 I1354 | H1347-T1352 VanDerWaalsContact CB-O 3.24Å; H1347-T1352 WeakPolarHBondContact CB-O 3.29Å; H1347-T1352 PolarHBondContact N-O 3.14Å; N1350-T1352 VanDerWaalsContact C-N 3.32Å; N1350-T1352 PolarHBondContact O-N 2.83Å; N1350-T1352 WeakPolarHBondContact OD1-CB 3.43Å; N1350-T1352 WeakPolarHBondContact OD1-CG2 2.88Å; N1350-T1352 PolarHBondContact OD1-N 2.88Å; N1350-T1352 PolarHBondContact OD1-OG1 2.82Å; T1352-I1354 PolarHBondContact O-N 2.88Å | ||
| 1353 | C | 83.4 | Confident | 78.5 | Confident | 11 Ų | 11 | 58.9 Ų | 58.9 | 7% | 0.074 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 117.5 | 175.7 | -67.2 | 0 | 0 | 0 | 0 | 111 | C1340 C1355 E1362 C1364 | C1340-C1353 WeakPolarHBondContact CA-SG 3.01Å; C1340-C1353 HydrophobicContact CB-CB 3.88Å; C1340-C1353 WeakPolarHBondContact CB-SG 3.33Å; C1340-C1353 WeakPolarHBondContact SG-CB 3.38Å; C1340-C1353 CovalentContact SG-SG 2.04Å; C1340-C1353 PolarHBondContact SG-SG 3.17Å; C1353-C1355 PolarHBondContact O-N 2.04Å; C1353-C1355 PolarHBondContact O-SG 3.22Å; C1353-E1362 WeakPolarHBondContact CB-O 3.39Å; C1353-E1362 PolarHBondContact SG-O 3.46Å; C1353-E1362 VanDerWaalsContact SG-O 3.41Å; C1353-C1364 VanDerWaalsContact CB-SG 3.57Å |
| 1354 | I | 79.1 | Confident | 78.8 | Confident | 62 Ų | 62 | 52.6 Ų | 52.6 | 32% | 0.318 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 103.5 | 173.9 | -52.8 | 169.4 | 0 | 0 | 0 | 108.2 | G1344 V1345 H1347 T1352 | G1344-I1354 CarbonylContact C-O 3.5Å; G1344-I1354 WeakPolarHBondContact CA-O 3.21Å; V1345-I1354 HydrophobicContact CB-CB 4.4Å; V1345-I1354 PolarHBondContact N-O 3.43Å; V1345-I1354 WeakPolarHBondContact O-CB 3.41Å; V1345-I1354 PolarHBondContact O-N 3.24Å; H1347-I1354 HydrophobicContact CB-CD1 4.09Å; H1347-I1354 HydrophobicContact CB-CG1 4.14Å; T1352-I1354 PolarHBondContact O-N 2.88Å |
| 1355 | C | 81.9 | Confident | 79.1 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.02 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -81.7 | 132.2 | -174.8 | -49.4 | 0 | 0 | 0 | 0 | 112.8 | C1353 Y1359 C1364 L1375 Q1376 | C1353-C1355 PolarHBondContact O-N 2.04Å; C1353-C1355 PolarHBondContact O-SG 3.22Å; C1355-Y1359 WeakPolarHBondContact CB-O 3.47Å; C1355-C1364 WeakPolarHBondContact CA-SG 3.41Å; C1355-C1364 HydrophobicContact CB-CB 3.69Å; C1355-C1364 WeakPolarHBondContact CB-SG 3.42Å; C1355-C1364 WeakPolarHBondContact SG-CA 3.02Å; C1355-C1364 WeakPolarHBondContact SG-CB 3.37Å; C1355-C1364 CovalentContact SG-SG 2.03Å; C1355-C1364 PolarHBondContact SG-SG 2.92Å; C1355-L1375 WeakPolarHBondContact O-CD2 3.19Å; C1355-Q1376 HydrophobicContact CB-CG 4.2Å; C1355-Q1376 PolarHBondContact O-N 3.1Å |
| 1356 | Q | 79.3 | Confident | 79 | Confident | 74 Ų | 74 | 54.8 Ų | 54.8 | 35% | 0.346 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 163.1 | 169.6 | 68.5 | -179.8 | 4.1 | 0 | 0 | 111.4 | N1342 G1358 Y1359 | N1342-Q1356 VanDerWaalsContact O-CD 3.3Å; N1342-Q1356 WeakPolarHBondContact O-CG 3.33Å; N1342-Q1356 PolarHBondContact O-NE2 2.74Å; N1342-Q1356 VanDerWaalsContact O-NE2 3.09Å; Q1356-G1358 PolarHBondContact O-N 2.91Å; Q1356-Y1359 HydrophobicContact CG-CD2 3.74Å; Q1356-Y1359 HydrophobicContact CG-CE2 4.18Å; Q1356-Y1359 PolarHBondContact O-N 3.39Å |
| 1357 | A | 80.5 | Confident | 79 | Confident | 32 Ų | 32 | 58.1 Ų | 58.1 | 26% | 0.264 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 138.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G1374 I1392 | A1357-G1374 WeakPolarHBondContact CA-O 3.46Å; A1357-I1392 HydrophobicContact CB-CG2 4.29Å |
| 1358 | G | 82.1 | Confident | 79.1 | Confident | 2 Ų | 2 | 55.8 Ų | 55.8 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92 | -3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q1356 N1367 C1368 G1374 E1391 | Q1356-G1358 PolarHBondContact O-N 2.91Å; G1358-N1367 CarbonylContact O-C 3.57Å; G1358-N1367 VanDerWaalsContact O-CA 3.32Å; G1358-N1367 WeakPolarHBondContact O-CA 3.03Å; G1358-C1368 WeakPolarHBondContact CA-SG 3.47Å; G1358-C1368 PolarHBondContact O-N 2.66Å; G1358-G1374 PolarHBondContact N-O 3.4Å; G1358-E1391 WeakPolarHBondContact CA-O 3.46Å |
| 1359 | Y | 84.6 | Confident | 79.4 | Confident | 59 Ų | 59 | 56.6 Ų | 56.6 | 23% | 0.231 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 149.1 | -175.3 | -57.2 | -82.7 | 0 | 0 | 0 | 115.2 | N1342 C1355 Q1356 L1366 C1377 | N1342-Y1359 HydrophobicContact CB-CD1 4.02Å; N1342-Y1359 HydrophobicContact CB-CD2 4.39Å; N1342-Y1359 HydrophobicContact CB-CE1 4.2Å; N1342-Y1359 HydrophobicContact CB-CG 4.11Å; N1342-Y1359 VanDerWaalsContact ND2-CD1 3.33Å; N1342-Y1359 WeakPolarHBondContact ND2-CD1 3.33Å; N1342-Y1359 WeakPolarHBondContact ND2-CE1 3.27Å; C1355-Y1359 WeakPolarHBondContact CB-O 3.47Å; Q1356-Y1359 HydrophobicContact CG-CD2 3.74Å; Q1356-Y1359 HydrophobicContact CG-CE2 4.18Å; Q1356-Y1359 PolarHBondContact O-N 3.39Å; Y1359-L1366 CarbonylContact C-O 3.55Å; Y1359-L1366 WeakPolarHBondContact CA-O 3.43Å; Y1359-C1377 VanDerWaalsContact C-SG 3.52Å; Y1359-C1377 PolarHBondContact O-SG 2.7Å |
| 1360 | Y | 83.7 | Confident | 79.6 | Confident | 90 Ų | 90 | 59 Ų | 59 | 35% | 0.353 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 179.7 | 174.4 | 85.6 | -72.3 | 0 | 0 | 0 | 113.9 | C1364 Q1365 L1366 N1367 P1369 | Y1360-C1364 CarbonylContact O-C 3.55Å; Y1360-C1364 VanDerWaalsContact O-C 3.24Å; Y1360-C1364 VanDerWaalsContact O-CA 3.29Å; Y1360-C1364 WeakPolarHBondContact O-CA 3.49Å; Y1360-Q1365 PolarHBondContact O-N 3.06Å; Y1360-L1366 HydrophobicContact CD1-CB 3.64Å; Y1360-L1366 HydrophobicContact CE1-CB 3.41Å; Y1360-L1366 VanDerWaalsContact CE1-CB 3.41Å; Y1360-L1366 HydrophobicContact CE1-CD1 3.91Å; Y1360-L1366 HydrophobicContact CE1-CG 4.3Å; Y1360-L1366 HydrophobicContact CE2-CD1 3.87Å; Y1360-L1366 HydrophobicContact CG-CB 4.39Å; Y1360-L1366 PolarHBondContact N-O 3.06Å; Y1360-L1366 PolarHBondContact O-N 3.42Å; Y1360-L1366 VanDerWaalsContact O-N 3.13Å; Y1360-N1367 WeakPolarHBondContact CD1-O 2.98Å; Y1360-N1367 WeakPolarHBondContact CE1-O 3.27Å; Y1360-P1369 HydrophobicContact CE1-CG 4.49Å |
| 1361 | G | 73.2 | Confident | 79.4 | Confident | 26 Ų | 26 | 55.8 Ų | 55.8 | 27% | 0.268 | 30% | 0.298 | S | S | . | . | S | Bend | trans | 99.6 | 161.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R1363 C1364 | G1361-R1363 PolarHBondContact O-N 3.24Å; G1361-C1364 PolarHBondContact O-N 3.1Å |
| 1362 | E | 73.5 | Confident | 79.7 | Confident | 165 Ų | 165 | 58.4 Ų | 58.4 | 77% | 0.771 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -38.7 | -39 | 179.1 | -76 | -85.2 | 108.1 | 0 | 0 | 115.3 | C1353 | C1353-E1362 WeakPolarHBondContact CB-O 3.39Å; C1353-E1362 PolarHBondContact SG-O 3.46Å; C1353-E1362 VanDerWaalsContact SG-O 3.41Å |
| 1363 | R | 83 | Confident | 80 | Confident | 140 Ų | 140 | 57.7 Ų | 57.7 | 53% | 0.528 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.6 | 23.5 | -179.2 | -59.9 | 177.7 | -176.3 | 173.5 | 4.4 | 111.6 | K1339 K1341 G1361 Q1365 | K1339-R1363 WeakPolarHBondContact O-CB 3.49Å; K1339-R1363 VanDerWaalsContact O-CD 3.28Å; K1339-R1363 WeakPolarHBondContact O-CD 3.27Å; K1339-R1363 WeakPolarHBondContact O-CG 3.34Å; K1341-R1363 WeakPolarHBondContact CA-O 3.24Å; K1341-R1363 WeakPolarHBondContact CB-O 3.35Å; K1341-R1363 PolarHBondContact N-O 3.06Å; G1361-R1363 PolarHBondContact O-N 3.24Å; R1363-Q1365 VanDerWaalsContact C-OE1 3.28Å; R1363-Q1365 VanDerWaalsContact CA-OE1 3.31Å; R1363-Q1365 PolarHBondContact O-N 2.89Å; R1363-Q1365 VanDerWaalsContact O-N 3.16Å |
| 1364 | C | 84 | Confident | 79.7 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | S | Bend | trans | 55.2 | 27 | -176.3 | -52.7 | 0 | 0 | 0 | 0 | 114.7 | N1342 C1353 C1355 Y1360 G1361 L1366 | N1342-C1364 WeakPolarHBondContact CB-O 3.04Å; N1342-C1364 PolarHBondContact ND2-O 3.4Å; C1353-C1364 VanDerWaalsContact CB-SG 3.57Å; C1355-C1364 WeakPolarHBondContact CA-SG 3.41Å; C1355-C1364 HydrophobicContact CB-CB 3.69Å; C1355-C1364 WeakPolarHBondContact CB-SG 3.42Å; C1355-C1364 WeakPolarHBondContact SG-CA 3.02Å; C1355-C1364 WeakPolarHBondContact SG-CB 3.37Å; C1355-C1364 CovalentContact SG-SG 2.03Å; C1355-C1364 PolarHBondContact SG-SG 2.92Å; Y1360-C1364 CarbonylContact O-C 3.55Å; Y1360-C1364 VanDerWaalsContact O-C 3.24Å; Y1360-C1364 VanDerWaalsContact O-CA 3.29Å; Y1360-C1364 WeakPolarHBondContact O-CA 3.49Å; G1361-C1364 PolarHBondContact O-N 3.1Å; C1364-L1366 VanDerWaalsContact C-N 3.34Å; C1364-L1366 PolarHBondContact O-N 2.78Å |
| 1365 | Q | 82.1 | Confident | 79.7 | Confident | 82 Ų | 82 | 59.6 Ų | 59.6 | 38% | 0.383 | 31% | 0.306 | S | S | . | . | trans | -85 | 0.9 | -168.6 | 76.5 | -76.2 | -0.7 | 0 | 0 | 115.1 | K1341 Y1360 R1363 | K1341-Q1365 HydrophobicContact CD-CB 4.14Å; Y1360-Q1365 PolarHBondContact O-N 3.06Å; R1363-Q1365 VanDerWaalsContact C-OE1 3.28Å; R1363-Q1365 VanDerWaalsContact CA-OE1 3.31Å; R1363-Q1365 PolarHBondContact O-N 2.89Å; R1363-Q1365 VanDerWaalsContact O-N 3.16Å | ||
| 1366 | L | 78.3 | Confident | 79.3 | Confident | 70 Ų | 70 | 62.4 Ų | 62.4 | 37% | 0.366 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 142.1 | -176.2 | -54.7 | 174.8 | 0 | 0 | 0 | 110.2 | Y1359 Y1360 C1364 | Y1359-L1366 CarbonylContact C-O 3.55Å; Y1359-L1366 WeakPolarHBondContact CA-O 3.43Å; Y1360-L1366 HydrophobicContact CD1-CB 3.64Å; Y1360-L1366 HydrophobicContact CE1-CB 3.41Å; Y1360-L1366 VanDerWaalsContact CE1-CB 3.41Å; Y1360-L1366 HydrophobicContact CE1-CD1 3.91Å; Y1360-L1366 HydrophobicContact CE1-CG 4.3Å; Y1360-L1366 HydrophobicContact CE2-CD1 3.87Å; Y1360-L1366 HydrophobicContact CG-CB 4.39Å; Y1360-L1366 PolarHBondContact N-O 3.06Å; Y1360-L1366 PolarHBondContact O-N 3.42Å; Y1360-L1366 VanDerWaalsContact O-N 3.13Å; C1364-L1366 VanDerWaalsContact C-N 3.34Å; C1364-L1366 PolarHBondContact O-N 2.78Å |
| 1367 | N | 81.7 | Confident | 79.4 | Confident | 86 Ų | 86 | 59.4 Ų | 59.4 | 46% | 0.46 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 156.6 | 169 | -80.2 | 55.7 | 0 | 0 | 0 | 111.3 | G1358 Y1360 E1391 | G1358-N1367 CarbonylContact O-C 3.57Å; G1358-N1367 VanDerWaalsContact O-CA 3.32Å; G1358-N1367 WeakPolarHBondContact O-CA 3.03Å; Y1360-N1367 WeakPolarHBondContact CD1-O 2.98Å; Y1360-N1367 WeakPolarHBondContact CE1-O 3.27Å; N1367-E1391 WeakPolarHBondContact CB-OE2 3.24Å; N1367-E1391 PolarHBondContact ND2-OE2 3.11Å |
| 1368 | C | 79.6 | Confident | 79.2 | Confident | 9 Ų | 9 | 65.4 Ų | 65.4 | 6% | 0.061 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 135.5 | 177.7 | -69.1 | 0 | 0 | 0 | 0 | 112.1 | G1358 F1372 C1377 E1391 | G1358-C1368 WeakPolarHBondContact CA-SG 3.47Å; G1358-C1368 PolarHBondContact O-N 2.66Å; C1368-F1372 WeakPolarHBondContact CB-O 3.38Å; C1368-C1377 WeakPolarHBondContact CA-SG 3.4Å; C1368-C1377 HydrophobicContact CB-CB 3.87Å; C1368-C1377 WeakPolarHBondContact CB-SG 3.49Å; C1368-C1377 WeakPolarHBondContact SG-CB 3.49Å; C1368-C1377 CovalentContact SG-SG 2.03Å; C1368-C1377 PolarHBondContact SG-SG 3.41Å; C1368-E1391 HydrophobicContact CB-CB 4.39Å; C1368-E1391 HydrophobicContact CB-CG 4.5Å |
| 1369 | P | 77.5 | Confident | 78.9 | Confident | 45 Ų | 45 | 69.9 Ų | 69.9 | 29% | 0.292 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 151.1 | 175.2 | 29.7 | -33 | 0 | 0 | 0 | 110.4 | Y1360 G1371 F1372 | Y1360-P1369 HydrophobicContact CE1-CG 4.49Å; P1369-G1371 PolarHBondContact O-N 2.76Å; P1369-F1372 HydrophobicContact CG-CB 4.36Å; P1369-F1372 HydrophobicContact CG-CD2 3.93Å; P1369-F1372 HydrophobicContact CG-CG 4.41Å; P1369-F1372 PolarHBondContact O-N 2.93Å; P1369-F1372 VanDerWaalsContact O-N 3.1Å |
| 1370 | P | 73.3 | Confident | 78.5 | Confident | 116 Ų | 116 | 72.8 Ų | 72.8 | 75% | 0.753 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | 134.5 | 175.6 | -28.2 | 35.5 | 0 | 0 | 0 | 112.1 | A1388 | P1370-A1388 HydrophobicContact CB-CB 4.49Š|
| 1371 | G | 71.5 | Confident | 78 | Confident | 19 Ų | 19 | 69.4 Ų | 69.4 | 20% | 0.196 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.7 | -2.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | P1369 K1380 C1381 | P1369-G1371 PolarHBondContact O-N 2.76Å; G1371-K1380 WeakPolarHBondContact O-CA 3.02Å; G1371-C1381 WeakPolarHBondContact CA-SG 3.41Å; G1371-C1381 PolarHBondContact O-N 3.47Å; G1371-C1381 PolarHBondContact O-SG 2.03Å |
| 1372 | F | 81.7 | Confident | 77.9 | Confident | 69 Ų | 69 | 70 Ų | 70 | 30% | 0.303 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 147.4 | -179.9 | -63.8 | -94.3 | 0 | 0 | 0 | 113.3 | C1368 P1369 C1377 Q1379 | C1368-F1372 WeakPolarHBondContact CB-O 3.38Å; P1369-F1372 HydrophobicContact CG-CB 4.36Å; P1369-F1372 HydrophobicContact CG-CD2 3.93Å; P1369-F1372 HydrophobicContact CG-CG 4.41Å; P1369-F1372 PolarHBondContact O-N 2.93Å; P1369-F1372 VanDerWaalsContact O-N 3.1Å; F1372-C1377 HydrophobicContact CB-CB 4.15Å; F1372-C1377 WeakPolarHBondContact CD1-O 3.4Å; F1372-Q1379 CarbonylContact C-O 3.55Å; F1372-Q1379 WeakPolarHBondContact CA-O 3.4Å |
| 1373 | Y | 85.3 | Confident | 78 | Confident | 51 Ų | 51 | 62.7 Ų | 62.7 | 20% | 0.2 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 176.7 | 178.7 | 75.9 | -80.8 | 0 | 0 | 0 | 112.7 | C1377 Q1379 K1380 N1390 E1391 G1394 | Y1373-C1377 CarbonylContact O-C 3.58Å; Y1373-C1377 WeakPolarHBondContact O-CA 3.45Å; Y1373-Q1379 HydrophobicContact CD1-CB 3.87Å; Y1373-Q1379 VanDerWaalsContact CD1-O 3.22Å; Y1373-Q1379 WeakPolarHBondContact CD1-O 3.23Å; Y1373-Q1379 HydrophobicContact CD2-CB 4.21Å; Y1373-Q1379 HydrophobicContact CE1-CB 3.62Å; Y1373-Q1379 HydrophobicContact CE2-CB 3.98Å; Y1373-Q1379 HydrophobicContact CG-CB 4.16Å; Y1373-Q1379 PolarHBondContact N-O 3.46Å; Y1373-Q1379 WeakPolarHBondContact O-CB 3.14Å; Y1373-Q1379 PolarHBondContact O-N 2.66Å; Y1373-Q1379 VanDerWaalsContact O-N 3.09Å; Y1373-Q1379 PolarHBondContact OH-OE1 2.76Å; Y1373-K1380 WeakPolarHBondContact CE1-O 3.42Å; Y1373-N1390 WeakPolarHBondContact CB-O 2.97Å; Y1373-E1391 WeakPolarHBondContact CA-O 3.43Å; Y1373-E1391 WeakPolarHBondContact CB-O 3.44Å; Y1373-G1394 VanDerWaalsContact CD2-N 3.32Å; Y1373-G1394 VanDerWaalsContact CG-CA 3.45Å |
| 1374 | G | 77.5 | Confident | 77.2 | Confident | 5 Ų | 5 | 60.9 Ų | 60.9 | 5% | 0.052 | 32% | 0.323 | C | S | . | . | S | Bend | trans | 78.2 | -169.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | A1357 G1358 Q1376 C1377 E1391 | A1357-G1374 WeakPolarHBondContact CA-O 3.46Å; G1358-G1374 PolarHBondContact N-O 3.4Å; G1374-Q1376 PolarHBondContact O-N 2.6Å; G1374-C1377 PolarHBondContact O-N 3.06Å; G1374-E1391 PolarHBondContact N-O 2.84Å |
| 1375 | L | 79.3 | Confident | 75.8 | Confident | 108 Ų | 108 | 64.5 Ų | 64.5 | 57% | 0.565 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -57.5 | 127.5 | -176.7 | -82.7 | 159.9 | 0 | 0 | 0 | 111.8 | C1355 C1377 K1378 | C1355-L1375 WeakPolarHBondContact O-CD2 3.19Å; L1375-C1377 PolarHBondContact O-N 2.76Å; L1375-K1378 WeakPolarHBondContact O-CB 3.23Å; L1375-K1378 PolarHBondContact O-N 3.42Å; L1375-K1378 VanDerWaalsContact O-N 3.1Å |
| 1376 | Q | 73.1 | Confident | 74.5 | Confident | 63 Ų | 63 | 64 Ų | 64 | 29% | 0.294 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | 50 | 23.6 | -173.1 | -58.5 | -179.2 | -61.1 | 0 | 0 | 114.3 | C1355 G1374 K1378 | C1355-Q1376 HydrophobicContact CB-CG 4.2Å; C1355-Q1376 PolarHBondContact O-N 3.1Å; G1374-Q1376 PolarHBondContact O-N 2.6Å; Q1376-K1378 HydrophobicContact CB-CD 4.2Å; Q1376-K1378 HydrophobicContact CB-CG 4.17Å; Q1376-K1378 PolarHBondContact O-N 3.02Å |
| 1377 | C | 81.2 | Confident | 73.6 | Confident | 11 Ų | 11 | 61.3 Ų | 61.3 | 7% | 0.074 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | 54.7 | 29.9 | -174.3 | -47.9 | 0 | 0 | 0 | 0 | 114.2 | Y1359 C1368 F1372 Y1373 G1374 L1375 Q1379 | Y1359-C1377 VanDerWaalsContact C-SG 3.52Å; Y1359-C1377 PolarHBondContact O-SG 2.7Å; C1368-C1377 WeakPolarHBondContact CA-SG 3.4Å; C1368-C1377 HydrophobicContact CB-CB 3.87Å; C1368-C1377 WeakPolarHBondContact CB-SG 3.49Å; C1368-C1377 WeakPolarHBondContact SG-CB 3.49Å; C1368-C1377 CovalentContact SG-SG 2.03Å; C1368-C1377 PolarHBondContact SG-SG 3.41Å; F1372-C1377 HydrophobicContact CB-CB 4.15Å; F1372-C1377 WeakPolarHBondContact CD1-O 3.4Å; Y1373-C1377 CarbonylContact O-C 3.58Å; Y1373-C1377 WeakPolarHBondContact O-CA 3.45Å; G1374-C1377 PolarHBondContact O-N 3.06Å; L1375-C1377 PolarHBondContact O-N 2.76Å; C1377-Q1379 VanDerWaalsContact C-N 3.34Å; C1377-Q1379 PolarHBondContact O-N 2.03Å |
| 1378 | K | 77.6 | Confident | 72.7 | Confident | 157 Ų | 157 | 60 Ų | 60 | 68% | 0.683 | 34% | 0.342 | S | S | * | . | trans | -78 | -10.2 | -175.9 | -77.4 | 174.4 | 168.2 | 169.1 | 0 | 114.9 | L1375 Q1376 | L1375-K1378 WeakPolarHBondContact O-CB 3.23Å; L1375-K1378 PolarHBondContact O-N 3.42Å; L1375-K1378 VanDerWaalsContact O-N 3.1Å; Q1376-K1378 HydrophobicContact CB-CD 4.2Å; Q1376-K1378 HydrophobicContact CB-CG 4.17Å; Q1376-K1378 PolarHBondContact O-N 3.02Å | ||
| 1379 | Q | 76.1 | Confident | 72.5 | Confident | 96 Ų | 96 | 60.1 Ų | 60.1 | 45% | 0.449 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 121.7 | -177.5 | -55.2 | -175 | 11.8 | 0 | 0 | 109.2 | F1372 Y1373 C1377 | F1372-Q1379 CarbonylContact C-O 3.55Å; F1372-Q1379 WeakPolarHBondContact CA-O 3.4Å; Y1373-Q1379 HydrophobicContact CD1-CB 3.87Å; Y1373-Q1379 VanDerWaalsContact CD1-O 3.22Å; Y1373-Q1379 WeakPolarHBondContact CD1-O 3.23Å; Y1373-Q1379 HydrophobicContact CD2-CB 4.21Å; Y1373-Q1379 HydrophobicContact CE1-CB 3.62Å; Y1373-Q1379 HydrophobicContact CE2-CB 3.98Å; Y1373-Q1379 HydrophobicContact CG-CB 4.16Å; Y1373-Q1379 PolarHBondContact N-O 3.46Å; Y1373-Q1379 WeakPolarHBondContact O-CB 3.14Å; Y1373-Q1379 PolarHBondContact O-N 2.66Å; Y1373-Q1379 VanDerWaalsContact O-N 3.09Å; Y1373-Q1379 PolarHBondContact OH-OE1 2.76Å; C1377-Q1379 VanDerWaalsContact C-N 3.34Å; C1377-Q1379 PolarHBondContact O-N 2.03Å |
| 1380 | K | 74.5 | Confident | 72.4 | Confident | 121 Ų | 121 | 60 Ų | 60 | 53% | 0.526 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 138.8 | 177 | -170.7 | 171.1 | 179.5 | 174.6 | 0 | 109.8 | N400 G1371 Y1373 G1382 | N400-K1380 PolarHBondContact OD1-NZ 3.15Å; G1371-K1380 WeakPolarHBondContact O-CA 3.02Å; Y1373-K1380 WeakPolarHBondContact CE1-O 3.42Å; K1380-G1382 PolarHBondContact O-N 3.44Å |
| 1381 | C | 75.2 | Confident | 72.3 | Confident | 19 Ų | 19 | 58.3 Ų | 58.3 | 13% | 0.128 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -53.9 | 132.6 | 177.6 | -67.9 | 0 | 0 | 0 | 0 | 111 | G1371 C1383 C1389 | G1371-C1381 WeakPolarHBondContact CA-SG 3.41Å; G1371-C1381 PolarHBondContact O-N 3.47Å; G1371-C1381 PolarHBondContact O-SG 2.03Å; C1381-C1383 PolarHBondContact O-N 3.32Å; C1381-C1389 WeakPolarHBondContact CA-SG 3.03Å; C1381-C1389 HydrophobicContact CB-CB 3.68Å; C1381-C1389 WeakPolarHBondContact CB-SG 3.39Å; C1381-C1389 WeakPolarHBondContact SG-CB 3.34Å; C1381-C1389 PolarHBondContact SG-N 3.35Å; C1381-C1389 CovalentContact SG-SG 2.03Å; C1381-C1389 PolarHBondContact SG-SG 3.29Å |
| 1382 | G | 69.9 | Low | 72.6 | Confident | 38 Ų | 38 | 62.3 Ų | 62.3 | 39% | 0.392 | 34% | 0.338 | S | S | . | . | trans | -84.9 | 14.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115 | K1380 K1406 | K1380-G1382 PolarHBondContact O-N 3.44Å; G1382-K1406 WeakPolarHBondContact O-CB 3.37Å; G1382-K1406 WeakPolarHBondContact O-CD 3.5Å; G1382-K1406 VanDerWaalsContact O-CG 3.27Å; G1382-K1406 WeakPolarHBondContact O-CG 3.48Å | ||
| 1383 | C | 76.7 | Confident | 72.5 | Confident | 12 Ų | 12 | 63 Ų | 63 | 8% | 0.081 | 35% | 0.349 | C | S | . | . | trans | -87.7 | 128.3 | -170.6 | -38.3 | 0 | 0 | 0 | 0 | 110.1 | C1381 H1385 G1386 E1387 C1396 | C1381-C1383 PolarHBondContact O-N 3.32Å; C1383-H1385 VanDerWaalsContact C-N 3.35Å; C1383-H1385 PolarHBondContact O-N 3.11Å; C1383-G1386 PolarHBondContact O-N 3.48Å; C1383-E1387 HydrophobicContact CB-CB 4.26Å; C1383-C1396 WeakPolarHBondContact CA-SG 3.42Å; C1383-C1396 HydrophobicContact CB-CB 3.89Å; C1383-C1396 WeakPolarHBondContact CB-SG 3.49Å; C1383-C1396 VanDerWaalsContact SG-CA 3.56Å; C1383-C1396 WeakPolarHBondContact SG-CB 3.46Å; C1383-C1396 CovalentContact SG-SG 2.03Å; C1383-C1396 PolarHBondContact SG-SG 2.93Å | ||
| 1384 | I | 64.5 | Low | 71.9 | Confident | 102 Ų | 102 | 61.2 Ų | 61.2 | 52% | 0.523 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -35.7 | -169.5 | -70.6 | 160.1 | 0 | 0 | 0 | 111.7 | G1386 K1406 E1408 | I1384-G1386 VanDerWaalsContact C-N 3.3Å; I1384-G1386 PolarHBondContact O-N 2.83Å; I1384-K1406 HydrophobicContact CD1-CB 4.03Å; I1384-K1406 HydrophobicContact CG1-CB 4.23Å; I1384-K1406 PolarHBondContact N-O 2.79Å; I1384-E1408 HydrophobicContact CD1-CB 3.47Å; I1384-E1408 VanDerWaalsContact CD1-CB 3.47Å |
| 1385 | H | 56.1 | Low | 71.9 | Confident | 75 Ų | 75 | 66.9 Ų | 66.9 | 35% | 0.347 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 24 | -176 | -56.3 | 110.7 | 0 | 0 | 0 | 113.9 | C1383 E1387 Y1402 C1407 | C1383-H1385 VanDerWaalsContact C-N 3.35Å; C1383-H1385 PolarHBondContact O-N 3.11Å; H1385-E1387 VanDerWaalsContact C-N 3.28Å; H1385-E1387 HydrophobicContact CB-CG 4.44Å; H1385-E1387 PolarHBondContact O-N 2.89Å; H1385-Y1402 HydrophobicContact CB-CD2 4.37Å; H1385-Y1402 HydrophobicContact CB-CE2 4.21Å; H1385-Y1402 AromaticContact CD2-CE1 3.94Å; H1385-Y1402 AromaticContact CD2-CZ 3.75Å; H1385-Y1402 AromaticContact CE1-CD1 3.26Å; H1385-Y1402 WeakPolarHBondContact CE1-CD1 3.4Å; H1385-Y1402 AromaticContact CE1-CE1 3.29Å; H1385-Y1402 WeakPolarHBondContact CE1-CE1 3.44Å; H1385-Y1402 AromaticContact CE1-CG 3.79Å; H1385-Y1402 AromaticContact CE1-CZ 3.85Å; H1385-Y1402 AromaticContact CG-CD2 3.97Å; H1385-Y1402 AromaticContact CG-CE2 3.78Å; H1385-Y1402 AromaticContact CG-CZ 3.84Å; H1385-Y1402 AromaticContact ND1-CD1 3.49Å; H1385-Y1402 WeakPolarHBondContact ND1-CD1 3.39Å; H1385-Y1402 AromaticContact ND1-CD2 3.7Å; H1385-Y1402 AromaticContact ND1-CE1 3.69Å; H1385-Y1402 AromaticContact ND1-CE2 3.9Å; H1385-Y1402 AromaticContact ND1-CG 3.49Å; H1385-Y1402 AromaticContact ND1-CZ 3.9Å; H1385-Y1402 AromaticContact NE2-CD1 3.95Å; H1385-Y1402 AromaticContact NE2-CE1 3.47Å; H1385-Y1402 WeakPolarHBondContact NE2-CE1 3.01Å; H1385-Y1402 AromaticContact NE2-CZ 3.78Å; H1385-C1407 PolarHBondContact CE1-O 2.03Å; H1385-C1407 PolarHBondContact ND1-O 3.4Å; H1385-C1407 VanDerWaalsContact ND1-O 3.12Å |
| 1386 | G | 54.4 | Low | 71.6 | Confident | 71 Ų | 71 | 62.5 Ų | 62.5 | 73% | 0.732 | 35% | 0.349 | S | S | * | . | trans | 74.4 | 10.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116 | C1383 I1384 | C1383-G1386 PolarHBondContact O-N 3.48Å; I1384-G1386 VanDerWaalsContact C-N 3.3Å; I1384-G1386 PolarHBondContact O-N 2.83Å | ||
| 1387 | E | 59.4 | Low | 71.7 | Confident | 15 Ų | 15 | 65.5 Ų | 65.5 | 7% | 0.07 | 36% | 0.358 | C | S | . | . | trans | -71 | 153.8 | -169.4 | -64.4 | 157.1 | 154.5 | 0 | 0 | 114 | C1383 H1385 C1389 S1399 C1407 | C1383-E1387 HydrophobicContact CB-CB 4.26Å; H1385-E1387 VanDerWaalsContact C-N 3.28Å; H1385-E1387 HydrophobicContact CB-CG 4.44Å; H1385-E1387 PolarHBondContact O-N 2.89Å; E1387-C1389 PolarHBondContact O-N 3.37Å; E1387-S1399 WeakPolarHBondContact CG-OG 3.29Å; E1387-S1399 WeakPolarHBondContact OE1-CA 3.02Å; E1387-S1399 WeakPolarHBondContact OE1-CB 3.21Å; E1387-S1399 PolarHBondContact OE1-N 3.28Å; E1387-S1399 PolarHBondContact OE1-OG 2.79Å; E1387-C1407 PolarHBondContact OE2-SG 2.84Å | ||
| 1388 | A | 62.8 | Low | 71.1 | Confident | 57 Ų | 57 | 65.4 Ų | 65.4 | 47% | 0.471 | 36% | 0.358 | S | S | . | . | trans | -67.6 | 115.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | P1370 | P1370-A1388 HydrophobicContact CB-CB 4.49Š| ||
| 1389 | C | 74.6 | Confident | 70.6 | Confident | 12 Ų | 12 | 60.7 Ų | 60.7 | 8% | 0.081 | 34% | 0.344 | C | S | . | . | B | Isolated β-bridge | trans | -87.8 | 165.9 | 168.4 | 72 | 0 | 0 | 0 | 0 | 111.7 | C1381 E1387 E1391 E1395 | C1381-C1389 WeakPolarHBondContact CA-SG 3.03Å; C1381-C1389 HydrophobicContact CB-CB 3.68Å; C1381-C1389 WeakPolarHBondContact CB-SG 3.39Å; C1381-C1389 WeakPolarHBondContact SG-CB 3.34Å; C1381-C1389 PolarHBondContact SG-N 3.35Å; C1381-C1389 CovalentContact SG-SG 2.03Å; C1381-C1389 PolarHBondContact SG-SG 3.29Å; E1387-C1389 PolarHBondContact O-N 3.37Å; C1389-E1391 PolarHBondContact O-N 3.1Å; C1389-E1395 CarbonylContact C-O 3.58Å; C1389-E1395 WeakPolarHBondContact CA-O 3.41Å; C1389-E1395 VanDerWaalsContact CB-O 3.29Å; C1389-E1395 WeakPolarHBondContact CB-O 3.34Å |
| 1390 | N | 76.8 | Confident | 70.3 | Confident | 44 Ų | 44 | 57.3 Ų | 57.3 | 24% | 0.235 | 33% | 0.333 | C | S | . | . | trans | -58.6 | 123.9 | 176.7 | -174.3 | -70.8 | 0 | 0 | 0 | 112.2 | Y1373 I1392 T1393 G1394 E1395 Y1397 | Y1373-N1390 WeakPolarHBondContact CB-O 2.97Å; N1390-I1392 PolarHBondContact O-N 3.3Å; N1390-I1392 PolarHBondContact OD1-N 2.81Å; N1390-T1393 VanDerWaalsContact CB-OG1 3.25Å; N1390-T1393 WeakPolarHBondContact CB-OG1 3.42Å; N1390-T1393 VanDerWaalsContact CG-OG1 3.23Å; N1390-T1393 PolarHBondContact O-N 2.96Å; N1390-T1393 PolarHBondContact OD1-N 3.27Å; N1390-T1393 PolarHBondContact OD1-OG1 3.24Å; N1390-G1394 PolarHBondContact O-N 2.88Å; N1390-E1395 HydrophobicContact CB-CB 4.25Å; N1390-E1395 PolarHBondContact N-O 2.92Å; N1390-Y1397 HydrophobicContact CB-CE2 4.09Å; N1390-Y1397 PolarHBondContact ND2-OH 2.04Å; N1390-Y1397 VanDerWaalsContact ND2-OH 3.1Å | ||
| 1391 | E | 70.4 | Confident | 70 | Confident | 80 Ų | 80 | 51.6 Ų | 51.6 | 37% | 0.374 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -27 | -175.9 | -62.7 | 172.6 | -136.5 | 0 | 0 | 114.6 | G1358 N1367 C1368 Y1373 G1374 C1389 | G1358-E1391 WeakPolarHBondContact CA-O 3.46Å; N1367-E1391 WeakPolarHBondContact CB-OE2 3.24Å; N1367-E1391 PolarHBondContact ND2-OE2 3.11Å; C1368-E1391 HydrophobicContact CB-CB 4.39Å; C1368-E1391 HydrophobicContact CB-CG 4.5Å; Y1373-E1391 WeakPolarHBondContact CA-O 3.43Å; Y1373-E1391 WeakPolarHBondContact CB-O 3.44Å; G1374-E1391 PolarHBondContact N-O 2.84Å; C1389-E1391 PolarHBondContact O-N 3.1Å |
| 1392 | I | 78 | Confident | 70 | Confident | 102 Ų | 102 | 52.5 Ų | 52.5 | 52% | 0.523 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -46.7 | -178.4 | -58.2 | 176.5 | 0 | 0 | 0 | 111.3 | A1357 N1390 | A1357-I1392 HydrophobicContact CB-CG2 4.29Å; N1390-I1392 PolarHBondContact O-N 3.3Å; N1390-I1392 PolarHBondContact OD1-N 2.81Å |
| 1393 | T | 78.9 | Confident | 70.4 | Confident | 85 Ų | 85 | 53.5 Ų | 53.5 | 52% | 0.521 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -17.4 | -168 | 67 | 0 | 0 | 0 | 0 | 115.5 | N1390 E1395 | N1390-T1393 VanDerWaalsContact CB-OG1 3.25Å; N1390-T1393 WeakPolarHBondContact CB-OG1 3.42Å; N1390-T1393 VanDerWaalsContact CG-OG1 3.23Å; N1390-T1393 PolarHBondContact O-N 2.96Å; N1390-T1393 PolarHBondContact OD1-N 3.27Å; N1390-T1393 PolarHBondContact OD1-OG1 3.24Å; T1393-E1395 VanDerWaalsContact C-N 3.28Å; T1393-E1395 PolarHBondContact O-N 2.93Å |
| 1394 | G | 73.2 | Confident | 70.2 | Confident | 12 Ų | 12 | 54.3 Ų | 54.3 | 12% | 0.124 | 31% | 0.314 | C | S | . | . | trans | 76.7 | 8.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y1373 N1390 | Y1373-G1394 VanDerWaalsContact CD2-N 3.32Å; Y1373-G1394 VanDerWaalsContact CG-CA 3.45Å; N1390-G1394 PolarHBondContact O-N 2.88Å | ||
| 1395 | E | 76.5 | Confident | 70.5 | Confident | 124 Ų | 124 | 58.5 Ų | 58.5 | 58% | 0.579 | 33% | 0.329 | S | S | * | . | trans | -69.3 | 131.4 | 179.1 | -173.9 | 168.9 | -157 | 0 | 0 | 111.8 | C1389 N1390 T1393 | C1389-E1395 CarbonylContact C-O 3.58Å; C1389-E1395 WeakPolarHBondContact CA-O 3.41Å; C1389-E1395 VanDerWaalsContact CB-O 3.29Å; C1389-E1395 WeakPolarHBondContact CB-O 3.34Å; N1390-E1395 HydrophobicContact CB-CB 4.25Å; N1390-E1395 PolarHBondContact N-O 2.92Å; T1393-E1395 VanDerWaalsContact C-N 3.28Å; T1393-E1395 PolarHBondContact O-N 2.93Å | ||
| 1396 | C | 74.2 | Confident | 71.3 | Confident | 17 Ų | 17 | 60.7 Ų | 60.7 | 12% | 0.115 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -83.9 | 134.7 | -175.8 | -63 | 0 | 0 | 0 | 0 | 112.6 | C1383 | C1383-C1396 WeakPolarHBondContact CA-SG 3.42Å; C1383-C1396 HydrophobicContact CB-CB 3.89Å; C1383-C1396 WeakPolarHBondContact CB-SG 3.49Å; C1383-C1396 VanDerWaalsContact SG-CA 3.56Å; C1383-C1396 WeakPolarHBondContact SG-CB 3.46Å; C1383-C1396 CovalentContact SG-SG 2.03Å; C1383-C1396 PolarHBondContact SG-SG 2.93Å |
| 1397 | Y | 74.9 | Confident | 72.2 | Confident | 126 Ų | 126 | 57.3 Ų | 57.3 | 49% | 0.494 | 30% | 0.302 | S | S | . | . | trans | -102.3 | 87.5 | 173.7 | -62.1 | -64.7 | 0 | 0 | 0 | 110.2 | N1390 S1399 | N1390-Y1397 HydrophobicContact CB-CE2 4.09Å; N1390-Y1397 PolarHBondContact ND2-OH 2.04Å; N1390-Y1397 VanDerWaalsContact ND2-OH 3.1Å; Y1397-S1399 PolarHBondContact O-N 2.82Å | ||
| 1398 | C | 69.5 | Low | 72.7 | Confident | 9 Ų | 9 | 61 Ų | 61 | 6% | 0.061 | 32% | 0.32 | C | S | . | . | trans | -58.9 | 125.1 | -174.6 | -51.1 | 0 | 0 | 0 | 0 | 112.8 | Y1402 C1407 Q1419 | C1398-Y1402 VanDerWaalsContact CB-O 3.3Å; C1398-Y1402 WeakPolarHBondContact CB-O 3.33Å; C1398-C1407 WeakPolarHBondContact CA-SG 3.35Å; C1398-C1407 HydrophobicContact CB-CB 3.78Å; C1398-C1407 WeakPolarHBondContact CB-SG 3.48Å; C1398-C1407 VanDerWaalsContact SG-CA 3.51Å; C1398-C1407 WeakPolarHBondContact SG-CB 3.47Å; C1398-C1407 CovalentContact SG-SG 2.03Å; C1398-C1407 PolarHBondContact SG-SG 3.41Å; C1398-Q1419 HydrophobicContact CB-CG 4.41Å | ||
| 1399 | S | 66.1 | Low | 73 | Confident | 57 Ų | 57 | 63 Ų | 63 | 40% | 0.399 | 32% | 0.319 | S | S | . | . | trans | -63.7 | 175 | 175 | -53.3 | 0 | 0 | 0 | 0 | 111.1 | E1387 Y1397 G1401 Y1402 | E1387-S1399 WeakPolarHBondContact CG-OG 3.29Å; E1387-S1399 WeakPolarHBondContact OE1-CA 3.02Å; E1387-S1399 WeakPolarHBondContact OE1-CB 3.21Å; E1387-S1399 PolarHBondContact OE1-N 3.28Å; E1387-S1399 PolarHBondContact OE1-OG 2.79Å; Y1397-S1399 PolarHBondContact O-N 2.82Å; S1399-G1401 PolarHBondContact O-N 2.87Å; S1399-Y1402 PolarHBondContact O-N 3.06Å | ||
| 1400 | A | 70 | Confident | 72.7 | Confident | 26 Ų | 26 | 67.1 Ų | 67.1 | 22% | 0.215 | 34% | 0.344 | C | S | . | . | B | Isolated β-bridge | trans | -59.9 | 135.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | G1417 Q1486 | A1400-G1417 VanDerWaalsContact CA-C 3.42Å; A1400-G1417 WeakPolarHBondContact CA-O 3.03Å; A1400-Q1486 HydrophobicContact CB-CB 4.01Å; A1400-Q1486 VanDerWaalsContact CB-O 3.22Å; A1400-Q1486 WeakPolarHBondContact CB-O 3.09Å; A1400-Q1486 VanDerWaalsContact O-CG 3.25Å; A1400-Q1486 WeakPolarHBondContact O-CG 3.08Å |
| 1401 | G | 68.3 | Low | 72.4 | Confident | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.6 | -10.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | S1399 T1410 C1411 G1417 P1485 | S1399-G1401 PolarHBondContact O-N 2.87Å; G1401-T1410 WeakPolarHBondContact O-CA 3Å; G1401-C1411 WeakPolarHBondContact CA-SG 3.49Å; G1401-C1411 PolarHBondContact O-N 2.98Å; G1401-C1411 PolarHBondContact O-SG 3.19Å; G1401-G1417 PolarHBondContact N-O 2.87Å; G1401-G1417 VanDerWaalsContact N-O 3.16Å; G1401-P1485 VanDerWaalsContact CA-O 3.23Å; G1401-P1485 WeakPolarHBondContact CA-O 3.41Å; G1401-P1485 PolarHBondContact N-O 3.12Å |
| 1402 | Y | 75.7 | Confident | 72.3 | Confident | 38 Ų | 38 | 67.8 Ų | 67.8 | 15% | 0.149 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 151.1 | -173.6 | -53.4 | -68.7 | 0 | 0 | 0 | 114.6 | H1385 C1398 S1399 Q1409 T1410 Q1419 | H1385-Y1402 HydrophobicContact CB-CD2 4.37Å; H1385-Y1402 HydrophobicContact CB-CE2 4.21Å; H1385-Y1402 AromaticContact CD2-CE1 3.94Å; H1385-Y1402 AromaticContact CD2-CZ 3.75Å; H1385-Y1402 AromaticContact CE1-CD1 3.26Å; H1385-Y1402 WeakPolarHBondContact CE1-CD1 3.4Å; H1385-Y1402 AromaticContact CE1-CE1 3.29Å; H1385-Y1402 WeakPolarHBondContact CE1-CE1 3.44Å; H1385-Y1402 AromaticContact CE1-CG 3.79Å; H1385-Y1402 AromaticContact CE1-CZ 3.85Å; H1385-Y1402 AromaticContact CG-CD2 3.97Å; H1385-Y1402 AromaticContact CG-CE2 3.78Å; H1385-Y1402 AromaticContact CG-CZ 3.84Å; H1385-Y1402 AromaticContact ND1-CD1 3.49Å; H1385-Y1402 WeakPolarHBondContact ND1-CD1 3.39Å; H1385-Y1402 AromaticContact ND1-CD2 3.7Å; H1385-Y1402 AromaticContact ND1-CE1 3.69Å; H1385-Y1402 AromaticContact ND1-CE2 3.9Å; H1385-Y1402 AromaticContact ND1-CG 3.49Å; H1385-Y1402 AromaticContact ND1-CZ 3.9Å; H1385-Y1402 AromaticContact NE2-CD1 3.95Å; H1385-Y1402 AromaticContact NE2-CE1 3.47Å; H1385-Y1402 WeakPolarHBondContact NE2-CE1 3.01Å; H1385-Y1402 AromaticContact NE2-CZ 3.78Å; C1398-Y1402 VanDerWaalsContact CB-O 3.3Å; C1398-Y1402 WeakPolarHBondContact CB-O 3.33Å; S1399-Y1402 PolarHBondContact O-N 3.06Å; Y1402-Q1409 CarbonylContact C-O 3.24Å; Y1402-Q1409 WeakPolarHBondContact CA-O 3.46Å; Y1402-T1410 HydrophobicContact CD1-CG2 4.16Å; Y1402-T1410 HydrophobicContact CE1-CG2 3.98Å; Y1402-Q1419 WeakPolarHBondContact O-CA 3.44Å; Y1402-Q1419 PolarHBondContact O-N 2.97Å |
| 1403 | H | 77.8 | Confident | 71.5 | Confident | 58 Ų | 58 | 68.2 Ų | 68.2 | 27% | 0.269 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 175.5 | 170.3 | 72.2 | -59.6 | 0 | 0 | 0 | 110.7 | C1407 E1408 Q1409 T1410 | H1403-C1407 CarbonylContact O-C 3.59Å; H1403-C1407 VanDerWaalsContact O-CA 3.26Å; H1403-C1407 WeakPolarHBondContact O-CA 3.03Å; H1403-E1408 PolarHBondContact O-N 3.47Å; H1403-Q1409 WeakPolarHBondContact CE1-CB 3.01Å; H1403-Q1409 PolarHBondContact N-O 3.43Å; H1403-Q1409 WeakPolarHBondContact ND1-CB 3.36Å; H1403-Q1409 PolarHBondContact ND1-O 2.03Å; H1403-Q1409 WeakPolarHBondContact O-CA 3.37Å; H1403-Q1409 WeakPolarHBondContact O-CB 3.37Å; H1403-Q1409 PolarHBondContact O-N 3.5Å; H1403-T1410 PolarHBondContact CE1-O 2.87Å; H1403-T1410 PolarHBondContact ND1-O 2.85Å |
| 1404 | G | 72.4 | Confident | 71 | Confident | 29 Ų | 29 | 65.4 Ų | 65.4 | 30% | 0.299 | 35% | 0.348 | S | S | . | . | S | Bend | trans | 111.4 | 176.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113 | E1408 | G1404-E1408 WeakPolarHBondContact CA-OE2 3.31Š|
| 1405 | K | 70.6 | Confident | 71.2 | Confident | 191 Ų | 191 | 66.6 Ų | 66.6 | 83% | 0.83 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -79.7 | -22.3 | -176.7 | -73.7 | -173.6 | 174.9 | -177.8 | 0 | 114.7 | E1408 | K1405-E1408 VanDerWaalsContact N-CD 3.34Å; K1405-E1408 PolarHBondContact N-OE1 3.21Å; K1405-E1408 PolarHBondContact N-OE2 2.9Å |
| 1406 | K | 72.6 | Confident | 71.3 | Confident | 121 Ų | 121 | 63.5 Ų | 63.5 | 53% | 0.526 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -119.8 | 12.7 | 172.6 | -63.7 | -175 | 171.5 | -171.8 | 0 | 110.8 | G1382 I1384 E1408 | G1382-K1406 WeakPolarHBondContact O-CB 3.37Å; G1382-K1406 WeakPolarHBondContact O-CD 3.5Å; G1382-K1406 VanDerWaalsContact O-CG 3.27Å; G1382-K1406 WeakPolarHBondContact O-CG 3.48Å; I1384-K1406 HydrophobicContact CD1-CB 4.03Å; I1384-K1406 HydrophobicContact CG1-CB 4.23Å; I1384-K1406 PolarHBondContact N-O 2.79Å; K1406-E1408 VanDerWaalsContact C-N 3.28Å; K1406-E1408 WeakPolarHBondContact CA-OE2 3.01Å; K1406-E1408 PolarHBondContact N-OE2 3.16Å |
| 1407 | C | 74 | Confident | 71 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | S | Bend | trans | 61.4 | 35.1 | -170.2 | -47.5 | 0 | 0 | 0 | 0 | 112.8 | H1385 E1387 C1398 H1403 Q1409 | H1385-C1407 PolarHBondContact CE1-O 2.03Å; H1385-C1407 PolarHBondContact ND1-O 3.4Å; H1385-C1407 VanDerWaalsContact ND1-O 3.12Å; E1387-C1407 PolarHBondContact OE2-SG 2.84Å; C1398-C1407 WeakPolarHBondContact CA-SG 3.35Å; C1398-C1407 HydrophobicContact CB-CB 3.78Å; C1398-C1407 WeakPolarHBondContact CB-SG 3.48Å; C1398-C1407 VanDerWaalsContact SG-CA 3.51Å; C1398-C1407 WeakPolarHBondContact SG-CB 3.47Å; C1398-C1407 CovalentContact SG-SG 2.03Å; C1398-C1407 PolarHBondContact SG-SG 3.41Å; H1403-C1407 CarbonylContact O-C 3.59Å; H1403-C1407 VanDerWaalsContact O-CA 3.26Å; H1403-C1407 WeakPolarHBondContact O-CA 3.03Å; C1407-Q1409 VanDerWaalsContact C-N 3.28Å; C1407-Q1409 PolarHBondContact O-N 2.83Å |
| 1408 | E | 70.5 | Confident | 70.7 | Confident | 93 Ų | 93 | 60.1 Ų | 60.1 | 44% | 0.435 | 33% | 0.329 | S | S | . | . | trans | -76.4 | 2.4 | -174.7 | 71.3 | -79.3 | -166.2 | 0 | 0 | 115.8 | I1384 H1403 G1404 K1405 K1406 | I1384-E1408 HydrophobicContact CD1-CB 3.47Å; I1384-E1408 VanDerWaalsContact CD1-CB 3.47Å; H1403-E1408 PolarHBondContact O-N 3.47Å; G1404-E1408 WeakPolarHBondContact CA-OE2 3.31Å; K1405-E1408 VanDerWaalsContact N-CD 3.34Å; K1405-E1408 PolarHBondContact N-OE1 3.21Å; K1405-E1408 PolarHBondContact N-OE2 2.9Å; K1406-E1408 VanDerWaalsContact C-N 3.28Å; K1406-E1408 WeakPolarHBondContact CA-OE2 3.01Å; K1406-E1408 PolarHBondContact N-OE2 3.16Å | ||
| 1409 | Q | 68.8 | Low | 70.9 | Confident | 99 Ų | 99 | 65.9 Ų | 65.9 | 46% | 0.463 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 123.2 | -173 | -46.1 | -169.6 | -76 | 0 | 0 | 110.6 | Y1402 H1403 C1407 | Y1402-Q1409 CarbonylContact C-O 3.24Å; Y1402-Q1409 WeakPolarHBondContact CA-O 3.46Å; H1403-Q1409 WeakPolarHBondContact CE1-CB 3.01Å; H1403-Q1409 PolarHBondContact N-O 3.43Å; H1403-Q1409 WeakPolarHBondContact ND1-CB 3.36Å; H1403-Q1409 PolarHBondContact ND1-O 2.03Å; H1403-Q1409 WeakPolarHBondContact O-CA 3.37Å; H1403-Q1409 WeakPolarHBondContact O-CB 3.37Å; H1403-Q1409 PolarHBondContact O-N 3.5Å; C1407-Q1409 VanDerWaalsContact C-N 3.28Å; C1407-Q1409 PolarHBondContact O-N 2.83Å |
| 1410 | T | 66.8 | Low | 71.2 | Confident | 98 Ų | 98 | 64.1 Ų | 64.1 | 60% | 0.601 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 158.8 | 173.2 | 45.1 | 0 | 0 | 0 | 0 | 111.8 | G1401 Y1402 H1403 | G1401-T1410 WeakPolarHBondContact O-CA 3Å; Y1402-T1410 HydrophobicContact CD1-CG2 4.16Å; Y1402-T1410 HydrophobicContact CE1-CG2 3.98Å; H1403-T1410 PolarHBondContact CE1-O 2.87Å; H1403-T1410 PolarHBondContact ND1-O 2.85Å |
| 1411 | C | 71.3 | Confident | 71.6 | Confident | 15 Ų | 15 | 66.9 Ų | 66.9 | 10% | 0.101 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 143.2 | 176.5 | -62.5 | 0 | 0 | 0 | 0 | 113.1 | G1401 T1415 C1420 P1485 | G1401-C1411 WeakPolarHBondContact CA-SG 3.49Å; G1401-C1411 PolarHBondContact O-N 2.98Å; G1401-C1411 PolarHBondContact O-SG 3.19Å; C1411-T1415 WeakPolarHBondContact CB-O 3.36Å; C1411-C1420 WeakPolarHBondContact CA-SG 3.47Å; C1411-C1420 HydrophobicContact CB-CB 3.77Å; C1411-C1420 WeakPolarHBondContact CB-SG 3.45Å; C1411-C1420 WeakPolarHBondContact SG-CA 3.5Å; C1411-C1420 WeakPolarHBondContact SG-CB 3.46Å; C1411-C1420 CovalentContact SG-SG 2.03Å; C1411-C1420 PolarHBondContact SG-SG 2.03Å; C1411-P1485 HydrophobicContact CB-CB 4Å |
| 1412 | L | 68.3 | Low | 71.6 | Confident | 122 Ų | 122 | 70.2 Ų | 70.2 | 64% | 0.639 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 147.4 | 176.5 | -75.6 | 163.1 | 0 | 0 | 0 | 110.8 | G1414 T1415 | L1412-G1414 PolarHBondContact O-N 2.99Å; L1412-T1415 PolarHBondContact N-OG1 2.02Å; L1412-T1415 PolarHBondContact O-N 3.44Å; L1412-T1415 PolarHBondContact O-OG1 3.5Å |
| 1413 | P | 60.6 | Low | 71.4 | Confident | 112 Ų | 112 | 75.2 Ų | 75.2 | 73% | 0.727 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | 123.8 | 177.8 | -29.5 | 36 | 0 | 0 | 0 | 112.6 | ||
| 1414 | G | 68.3 | Low | 70.7 | Confident | 26 Ų | 26 | 73.6 Ų | 73.6 | 27% | 0.268 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95 | -0.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | L1412 I1423 C1424 | L1412-G1414 PolarHBondContact O-N 2.99Å; G1414-I1423 WeakPolarHBondContact O-CA 3.22Å; G1414-C1424 PolarHBondContact O-N 3.11Å |
| 1415 | T | 78.8 | Confident | 70.2 | Confident | 37 Ų | 37 | 74.9 Ų | 74.9 | 23% | 0.227 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 148.8 | 175.7 | 59.9 | 0 | 0 | 0 | 0 | 113.2 | C1411 L1412 L1422 | C1411-T1415 WeakPolarHBondContact CB-O 3.36Å; L1412-T1415 PolarHBondContact N-OG1 2.02Å; L1412-T1415 PolarHBondContact O-N 3.44Å; L1412-T1415 PolarHBondContact O-OG1 3.5Å; T1415-L1422 CarbonylContact C-O 3.51Å; T1415-L1422 WeakPolarHBondContact CA-O 3.2Å; T1415-L1422 WeakPolarHBondContact CB-O 3.3Å |
| 1416 | Y | 77.4 | Confident | 69.8 | Low | 59 Ų | 59 | 69.6 Ų | 69.6 | 23% | 0.231 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 177.3 | 179.2 | 81.3 | -87.7 | 0 | 0 | 0 | 112.3 | C1420 S1421 L1422 I1423 P1485 G1488 | Y1416-C1420 CarbonylContact O-C 3.33Å; Y1416-C1420 VanDerWaalsContact O-C 3.27Å; Y1416-C1420 WeakPolarHBondContact O-CA 3.36Å; Y1416-S1421 PolarHBondContact O-N 3.5Å; Y1416-L1422 HydrophobicContact CD1-CB 3.68Å; Y1416-L1422 HydrophobicContact CD2-CB 4.03Å; Y1416-L1422 HydrophobicContact CD2-CD1 3.93Å; Y1416-L1422 HydrophobicContact CE1-CB 3.51Å; Y1416-L1422 HydrophobicContact CE1-CD1 4.49Å; Y1416-L1422 HydrophobicContact CE2-CB 3.87Å; Y1416-L1422 HydrophobicContact CE2-CD1 3.38Å; Y1416-L1422 HydrophobicContact CE2-CG 4.26Å; Y1416-L1422 HydrophobicContact CG-CB 3.94Å; Y1416-L1422 PolarHBondContact N-O 3.24Å; Y1416-L1422 WeakPolarHBondContact O-CA 3.49Å; Y1416-L1422 WeakPolarHBondContact O-CB 3.44Å; Y1416-L1422 PolarHBondContact O-N 2.98Å; Y1416-I1423 WeakPolarHBondContact CE1-O 3Å; Y1416-P1485 CarbonylContact C-O 3.33Å; Y1416-P1485 WeakPolarHBondContact CA-O 3.21Å; Y1416-P1485 VanDerWaalsContact CB-O 3.27Å; Y1416-P1485 WeakPolarHBondContact CB-O 3.31Å; Y1416-G1488 VanDerWaalsContact CD2-N 3.29Å; Y1416-G1488 VanDerWaalsContact CG-CA 3.5Å |
| 1417 | G | 68.3 | Low | 69 | Low | 2 Ų | 2 | 64.1 Ų | 64.1 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | S | Bend | trans | 87.2 | 177.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | A1400 G1401 Q1419 C1420 P1485 | A1400-G1417 VanDerWaalsContact CA-C 3.42Å; A1400-G1417 WeakPolarHBondContact CA-O 3.03Å; G1401-G1417 PolarHBondContact N-O 2.87Å; G1401-G1417 VanDerWaalsContact N-O 3.16Å; G1417-Q1419 PolarHBondContact O-N 3.44Å; G1417-C1420 WeakPolarHBondContact O-CA 3.34Å; G1417-C1420 PolarHBondContact O-N 3.34Å; G1417-P1485 PolarHBondContact N-O 2.93Å |
| 1418 | P | 68.9 | Low | 68.2 | Low | 69 Ų | 69 | 67.2 Ų | 67.2 | 45% | 0.448 | 38% | 0.378 | S | S | . | . | B | Isolated β-bridge | trans | -63.5 | 133.3 | -176.8 | 26.8 | -34.5 | 0 | 0 | 0 | 110.6 | C1420 S1421 | P1418-C1420 PolarHBondContact O-N 3.03Å; P1418-S1421 PolarHBondContact O-N 2.92Å; P1418-S1421 PolarHBondContact O-OG 3.4Å |
| 1419 | Q | 72.3 | Confident | 66.9 | Low | 131 Ų | 131 | 68 Ų | 68 | 61% | 0.612 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 25.3 | -170.5 | -57.6 | -174.7 | -15 | 0 | 0 | 113.8 | C1398 Y1402 G1417 S1421 | C1398-Q1419 HydrophobicContact CB-CG 4.41Å; Y1402-Q1419 WeakPolarHBondContact O-CA 3.44Å; Y1402-Q1419 PolarHBondContact O-N 2.97Å; G1417-Q1419 PolarHBondContact O-N 3.44Å; Q1419-S1421 VanDerWaalsContact C-N 3.29Å; Q1419-S1421 PolarHBondContact O-N 2.64Å |
| 1420 | C | 73.8 | Confident | 65.7 | Low | 20 Ų | 20 | 71.8 Ų | 71.8 | 14% | 0.135 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 31.9 | 179.5 | -49.5 | 0 | 0 | 0 | 0 | 114.8 | C1411 Y1416 G1417 P1418 L1422 | C1411-C1420 WeakPolarHBondContact CA-SG 3.47Å; C1411-C1420 HydrophobicContact CB-CB 3.77Å; C1411-C1420 WeakPolarHBondContact CB-SG 3.45Å; C1411-C1420 WeakPolarHBondContact SG-CA 3.5Å; C1411-C1420 WeakPolarHBondContact SG-CB 3.46Å; C1411-C1420 CovalentContact SG-SG 2.03Å; C1411-C1420 PolarHBondContact SG-SG 2.03Å; Y1416-C1420 CarbonylContact O-C 3.33Å; Y1416-C1420 VanDerWaalsContact O-C 3.27Å; Y1416-C1420 WeakPolarHBondContact O-CA 3.36Å; G1417-C1420 WeakPolarHBondContact O-CA 3.34Å; G1417-C1420 PolarHBondContact O-N 3.34Å; P1418-C1420 PolarHBondContact O-N 3.03Å; C1420-L1422 VanDerWaalsContact C-N 3.32Å; C1420-L1422 PolarHBondContact O-N 3.44Å |
| 1421 | S | 77.8 | Confident | 64.1 | Low | 84 Ų | 84 | 72.2 Ų | 72.2 | 59% | 0.587 | 40% | 0.398 | S | S | * | . | trans | -80 | 0.4 | -170.5 | 78 | 0 | 0 | 0 | 0 | 116.3 | Y1416 P1418 Q1419 | Y1416-S1421 PolarHBondContact O-N 3.5Å; P1418-S1421 PolarHBondContact O-N 2.92Å; P1418-S1421 PolarHBondContact O-OG 3.4Å; Q1419-S1421 VanDerWaalsContact C-N 3.29Å; Q1419-S1421 PolarHBondContact O-N 2.64Å | ||
| 1422 | L | 67.9 | Low | 62.1 | Low | 71 Ų | 71 | 75 Ų | 75 | 37% | 0.372 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 159.9 | -174.7 | -52.1 | 174.4 | 0 | 0 | 0 | 110.9 | T1415 Y1416 C1420 | T1415-L1422 CarbonylContact C-O 3.51Å; T1415-L1422 WeakPolarHBondContact CA-O 3.2Å; T1415-L1422 WeakPolarHBondContact CB-O 3.3Å; Y1416-L1422 HydrophobicContact CD1-CB 3.68Å; Y1416-L1422 HydrophobicContact CD2-CB 4.03Å; Y1416-L1422 HydrophobicContact CD2-CD1 3.93Å; Y1416-L1422 HydrophobicContact CE1-CB 3.51Å; Y1416-L1422 HydrophobicContact CE1-CD1 4.49Å; Y1416-L1422 HydrophobicContact CE2-CB 3.87Å; Y1416-L1422 HydrophobicContact CE2-CD1 3.38Å; Y1416-L1422 HydrophobicContact CE2-CG 4.26Å; Y1416-L1422 HydrophobicContact CG-CB 3.94Å; Y1416-L1422 PolarHBondContact N-O 3.24Å; Y1416-L1422 WeakPolarHBondContact O-CA 3.49Å; Y1416-L1422 WeakPolarHBondContact O-CB 3.44Å; Y1416-L1422 PolarHBondContact O-N 2.98Å; C1420-L1422 VanDerWaalsContact C-N 3.32Å; C1420-L1422 PolarHBondContact O-N 3.44Å |
| 1423 | I | 72.2 | Confident | 60.5 | Low | 142 Ų | 142 | 75 Ų | 75 | 73% | 0.728 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 131.3 | -173.2 | -60.4 | 172 | 0 | 0 | 0 | 110.2 | G1414 Y1416 | G1414-I1423 WeakPolarHBondContact O-CA 3.22Å; Y1416-I1423 WeakPolarHBondContact CE1-O 3Å |
| 1424 | C | 63 | Low | 59 | Low | 25 Ų | 25 | 74.3 Ų | 74.3 | 17% | 0.169 | 42% | 0.42 | C | S | . | . | trans | -58.9 | 143.9 | -175.1 | -76.6 | 0 | 0 | 0 | 0 | 114.3 | G1414 C1483 | G1414-C1424 PolarHBondContact O-N 3.11Å; C1424-C1483 WeakPolarHBondContact CA-SG 3.28Å; C1424-C1483 HydrophobicContact CB-CB 3.7Å; C1424-C1483 WeakPolarHBondContact CB-SG 3Å; C1424-C1483 WeakPolarHBondContact SG-CB 3.44Å; C1424-C1483 PolarHBondContact SG-N 2.02Å; C1424-C1483 VanDerWaalsContact SG-N 3.4Å; C1424-C1483 CovalentContact SG-SG 2.03Å; C1424-C1483 PolarHBondContact SG-SG 3.44Å | ||
| 1425 | P | 62.2 | Low | 57.1 | Low | 55 Ų | 55 | 77.7 Ų | 77.7 | 36% | 0.357 | 43% | 0.432 | S | S | . | . | trans | -67.4 | 165.1 | 160.2 | 32 | -35 | 0 | 0 | 0 | 111.6 | C1427 C1483 G1488 | P1425-C1427 PolarHBondContact O-N 2.89Å; P1425-C1483 HydrophobicContact CG-CB 4.47Å; P1425-G1488 VanDerWaalsContact CD-O 3.3Å; P1425-G1488 WeakPolarHBondContact CD-O 3.19Å; P1425-G1488 WeakPolarHBondContact CG-O 3.34Å | ||
| 1426 | V | 60.8 | Low | 54.9 | Low | 80 Ų | 80 | 82.9 Ų | 82.9 | 49% | 0.485 | 46% | 0.464 | S | S | . | . | trans | -82.9 | 112.6 | 176.7 | 177 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1427 | C | 57.3 | Low | 52.6 | Low | 6 Ų | 6 | 85.6 Ų | 85.6 | 4% | 0.041 | 48% | 0.482 | C | S | . | . | trans | -81.7 | 118 | 176.4 | -52.8 | 0 | 0 | 0 | 0 | 110.7 | P1425 T1429 P1481 C1490 | P1425-C1427 PolarHBondContact O-N 2.89Å; C1427-T1429 PolarHBondContact O-N 3.22Å; C1427-P1481 HydrophobicContact CB-CB 4.11Å; C1427-P1481 HydrophobicContact CB-CG 4.07Å; C1427-P1481 PolarHBondContact SG-O 3.32Å; C1427-C1490 WeakPolarHBondContact CA-SG 3.32Å; C1427-C1490 HydrophobicContact CB-CB 3.76Å; C1427-C1490 WeakPolarHBondContact CB-SG 3.46Å; C1427-C1490 VanDerWaalsContact SG-CA 3.59Å; C1427-C1490 WeakPolarHBondContact SG-CB 3.29Å; C1427-C1490 CovalentContact SG-SG 2.03Å; C1427-C1490 PolarHBondContact SG-SG 2.81Å | ||
| 1428 | H | 56 | Low | 50.8 | Low | 65 Ų | 65 | 92 Ų | 92 | 30% | 0.301 | 52% | 0.515 | S | S | . | . | trans | -87.8 | 102.8 | -177.7 | -95.2 | 4.7 | 0 | 0 | 0 | 111.5 | R1430 D1500 | H1428-R1430 HydrophobicContact CB-CG 4.12Å; H1428-R1430 PolarHBondContact CD2-NE 3.44Å; H1428-R1430 VanDerWaalsContact CD2-NE 3.32Å; H1428-R1430 PolarHBondContact NE2-NE 3.07Å; H1428-R1430 PolarHBondContact O-N 3.42Å; H1428-D1500 WeakPolarHBondContact CA-O 3.41Å; H1428-D1500 HydrophobicContact CB-CB 4.24Å; H1428-D1500 VanDerWaalsContact CB-O 3.31Å; H1428-D1500 WeakPolarHBondContact CB-O 3.36Å; H1428-D1500 IonicContact CD2-OD2 2.79Å; H1428-D1500 IonicContact CG-OD2 3.45Å; H1428-D1500 PolarHBondContact N-O 2.9Å | ||
| 1429 | T | 44.8 | Very low | 48.8 | Very low | 110 Ų | 110 | 93.1 Ų | 93.1 | 68% | 0.675 | 53% | 0.525 | S | S | * | . | trans | -76.3 | 57.3 | 162.5 | 56.7 | 0 | 0 | 0 | 0 | 111.1 | C1427 P1481 | C1427-T1429 PolarHBondContact O-N 3.22Å; T1429-P1481 HydrophobicContact CG2-CG 3.49Å; T1429-P1481 VanDerWaalsContact CG2-CG 3.49Å | ||
| 1430 | R | 42.4 | Very low | 46.8 | Very low | 179 Ų | 179 | 95.1 Ų | 95.1 | 68% | 0.675 | 54% | 0.539 | S | S | * | . | trans | -86 | 113.7 | 177.9 | -76.6 | -165.6 | -173.7 | -145.7 | 2.7 | 111 | H1428 A1432 | H1428-R1430 HydrophobicContact CB-CG 4.12Å; H1428-R1430 PolarHBondContact CD2-NE 3.44Å; H1428-R1430 VanDerWaalsContact CD2-NE 3.32Å; H1428-R1430 PolarHBondContact NE2-NE 3.07Å; H1428-R1430 PolarHBondContact O-N 3.42Å; R1430-A1432 PolarHBondContact O-N 3.12Å | ||
| 1431 | I | 34.1 | Very low | 44.5 | Very low | 107 Ų | 107 | 100 Ų | 100 | 55% | 0.549 | 56% | 0.563 | S | S | . | * | trans | -76.7 | 106.6 | 163.6 | -60.7 | 119.7 | 0 | 0 | 0 | 108.1 | L1471 | I1431-L1471 HydrophobicContact CD1-CD1 4.17Å; I1431-L1471 HydrophobicContact CD1-CD2 3.85Å; I1431-L1471 HydrophobicContact CD1-CG 3.85Å | ||
| 1432 | A | 29.5 | Very low | 42 | Very low | 73 Ų | 73 | 103.7 Ų | 103.7 | 60% | 0.603 | 58% | 0.576 | S | S | * | * | trans | -119.3 | 139.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | R1430 | R1430-A1432 PolarHBondContact O-N 3.12Š| ||
| 1433 | D | 33.5 | Very low | 40 | Very low | 121 Ų | 121 | 104.4 Ų | 104.4 | 65% | 0.647 | 59% | 0.586 | S | S | * | * | cis | -128.3 | 145.9 | -3.8 | -88 | -66.5 | 0 | 0 | 0 | 109.3 | N1435 | D1433-N1435 HydrophobicContact CB-CB 4.37Å; D1433-N1435 PolarHBondContact OD1-ND2 3.13Å | ||
| 1434 | S | 30.1 | Very low | 37.8 | Very low | 99 Ų | 99 | 105.8 Ų | 105.8 | 69% | 0.692 | 59% | 0.59 | S | S | * | * | cis | 78.6 | 4.6 | 0.3 | -154.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1435 | N | 27.5 | Very low | 36.1 | Very low | 97 Ų | 97 | 110.2 Ų | 110.2 | 52% | 0.519 | 62% | 0.616 | S | S | . | * | trans | -168.6 | 130.8 | 171.5 | -83.7 | -39.4 | 0 | 0 | 0 | 107.9 | D1433 L1437 | D1433-N1435 HydrophobicContact CB-CB 4.37Å; D1433-N1435 PolarHBondContact OD1-ND2 3.13Å; N1435-L1437 HydrophobicContact CB-CB 3.99Å; N1435-L1437 VanDerWaalsContact OD1-CD1 3.27Å; N1435-L1437 WeakPolarHBondContact OD1-CD1 3.2Å | ||
| 1436 | T | 33.4 | Very low | 34.5 | Very low | 145 Ų | 145 | 112.3 Ų | 112.3 | 89% | 0.89 | 63% | 0.632 | S | S | * | * | cis | -18 | 103.7 | -7.5 | 56.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1437 | L | 28.5 | Very low | 32.9 | Very low | 117 Ų | 117 | 113.3 Ų | 113.3 | 61% | 0.613 | 64% | 0.643 | S | S | * | * | cis | 74.1 | 106.4 | 20 | -152.2 | 78.4 | 0 | 0 | 0 | 114.8 | N1435 | N1435-L1437 HydrophobicContact CB-CB 3.99Å; N1435-L1437 VanDerWaalsContact OD1-CD1 3.27Å; N1435-L1437 WeakPolarHBondContact OD1-CD1 3.2Å | ||
| 1438 | D | 31.5 | Very low | 31.4 | Very low | 135 Ų | 135 | 121 Ų | 121 | 72% | 0.722 | 68% | 0.681 | S | S | * | * | trans | 19.2 | 122.2 | 152.7 | -52.7 | -45.3 | 0 | 0 | 0 | 120.4 | ||||
| 1439 | S | 26.5 | Very low | 30.6 | Very low | 94 Ų | 94 | 122.9 Ų | 122.9 | 66% | 0.657 | 70% | 0.7 | S | S | * | * | 163.7 | 61.5 | 120.7 | -70.6 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1440 | L | 29.3 | Very low | 29.9 | Very low | 172 Ų | 172 | 124.4 Ų | 124.4 | 90% | 0.901 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -145.6 | 62.3 | 150.1 | -78.4 | -173.9 | 0 | 0 | 0 | 108 | ||
| 1441 | L | 26.2 | Very low | 29.3 | Very low | 123 Ų | 123 | 122.3 Ų | 122.3 | 64% | 0.644 | 71% | 0.706 | S | S | * | * | 73.3 | 108.4 | 81.1 | -69.3 | 170 | 0 | 0 | 0 | 113.7 | |||||
| 1442 | L | 25.8 | Very low | 29.2 | Very low | 162 Ų | 162 | 123.1 Ų | 123.1 | 85% | 0.848 | 72% | 0.716 | S | S | * | * | trans | 66.4 | 141.2 | 149.4 | -55.1 | 168.1 | 0 | 0 | 0 | 116.6 | ||||
| 1443 | S | 25.6 | Very low | 29.1 | Very low | 86 Ų | 86 | 128.1 Ų | 128.1 | 60% | 0.601 | 73% | 0.725 | S | S | * | * | cis | -157.4 | -171.3 | -11.2 | 54.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1444 | E | 26.9 | Very low | 29 | Very low | 171 Ų | 171 | 129.3 Ų | 129.3 | 80% | 0.799 | 73% | 0.73 | S | S | * | * | cis | -155.6 | -169.4 | 14.2 | -150.4 | 138.1 | -88.6 | 0 | 0 | 110.8 | ||||
| 1445 | T | 26.8 | Very low | 29 | Very low | 118 Ų | 118 | 128.9 Ų | 128.9 | 72% | 0.724 | 73% | 0.727 | S | S | * | * | trans | -66.9 | 153.7 | -178.9 | 47.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1446 | S | 27.3 | Very low | 29.2 | Very low | 99 Ų | 99 | 128.4 Ų | 128.4 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | trans | 64.3 | 115.1 | 151.8 | 56.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1447 | S | 27.8 | Very low | 29.2 | Very low | 101 Ų | 101 | 129 Ų | 129 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | trans | 49.2 | 116.4 | 139.2 | 61.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1448 | I | 26.8 | Very low | 29.2 | Very low | 166 Ų | 166 | 133.4 Ų | 133.4 | 85% | 0.851 | 73% | 0.734 | S | S | * | * | trans | 166.3 | 149.8 | 137.8 | -89 | 154.9 | 0 | 0 | 0 | 108.4 | ||||
| 1449 | P | 39 | Very low | 29 | Very low | 105 Ų | 105 | 135.8 Ų | 135.8 | 68% | 0.682 | 74% | 0.741 | S | S | * | * | trans | -100.2 | -176.8 | -171.5 | 39.6 | -38 | 0 | 0 | 0 | 116 | ||||
| 1450 | D | 28.8 | Very low | 29.3 | Very low | 142 Ų | 142 | 135.7 Ų | 135.7 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | trans | 98.7 | 122.7 | 158.3 | -66 | -21.8 | 0 | 0 | 0 | 122.2 | ||||
| 1451 | N | 31 | Very low | 29.4 | Very low | 135 Ų | 135 | 135.8 Ų | 135.8 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | trans | 72.6 | 135.4 | 139.1 | -81.1 | -41.1 | 0 | 0 | 0 | 125.2 | ||||
| 1452 | T | 31.2 | Very low | 29.4 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 77% | 0.767 | 74% | 0.742 | S | S | * | * | trans | 68.6 | 148.3 | 143.5 | 52.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1453 | F | 28.8 | Very low | 29.5 | Very low | 178 Ų | 178 | 136.9 Ų | 136.9 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | cis | -164.7 | 150.7 | -10.8 | -144.5 | -135.4 | 0 | 0 | 0 | 110 | ||||
| 1454 | L | 31 | Very low | 29.7 | Very low | 146 Ų | 146 | 141.5 Ų | 141.5 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | trans | 59.2 | 165 | 161.7 | -107.2 | 63.7 | 0 | 0 | 0 | 118.1 | ||||
| 1455 | S | 29.1 | Very low | 30 | Very low | 89 Ų | 89 | 141.3 Ų | 141.3 | 62% | 0.622 | 76% | 0.758 | S | S | * | * | cis | -158.3 | 162.4 | -11.6 | -160.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1456 | S | 31.7 | Very low | 30.2 | Very low | 88 Ų | 88 | 142.7 Ų | 142.7 | 62% | 0.615 | 77% | 0.766 | S | S | * | * | trans | 23 | 151.1 | 141.3 | 62 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1457 | Q | 33.4 | Very low | 30.3 | Very low | 156 Ų | 156 | 146.7 Ų | 146.7 | 73% | 0.729 | 77% | 0.771 | S | S | * | * | cis | -163.5 | 158.9 | 2.8 | -134.3 | 151.6 | -67.4 | 0 | 0 | 112.4 | ||||
| 1458 | Y | 28.3 | Very low | 30.3 | Very low | 210 Ų | 210 | 147.2 Ų | 147.2 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | trans | 33.1 | 125.5 | 146.3 | -90.1 | -120.9 | 0 | 0 | 0 | 123.7 | ||||
| 1459 | H | 28.3 | Very low | 30.5 | Very low | 186 Ų | 186 | 144 Ų | 144 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | -165.1 | 143.9 | 126 | -138.5 | -87.1 | 0 | 0 | 0 | 113.2 | |||||
| 1460 | S | 32.2 | Very low | 30.4 | Very low | 91 Ų | 91 | 145.9 Ų | 145.9 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | trans | 30.5 | 110.8 | 162.3 | -158.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1461 | E | 30.7 | Very low | 30.4 | Very low | 174 Ų | 174 | 143.8 Ų | 143.8 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | cis | 78 | 145 | 49.5 | -56.9 | -159.4 | 138.2 | 0 | 0 | 117.3 | ||||
| 1462 | V | 26.9 | Very low | 30.3 | Very low | 131 Ų | 131 | 146.3 Ų | 146.3 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | trans | 70.9 | 134.8 | 176.7 | -160.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1463 | M | 27 | Very low | 30.4 | Very low | 178 Ų | 178 | 150.1 Ų | 150.1 | 88% | 0.877 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 71.2 | 63.1 | 172.2 | -56.7 | -140.8 | -174.9 | 0 | 0 | 121.1 | ||
| 1464 | K | 30.4 | Very low | 30.3 | Very low | 183 Ų | 183 | 149.9 Ų | 149.9 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | trans | -137.6 | -10.8 | 165.1 | -78.6 | -167.9 | 178.9 | 167 | 0 | 120.7 | T1466 | K1464-T1466 VanDerWaalsContact C-N 3.34Å; K1464-T1466 PolarHBondContact O-N 2.8Å; K1464-T1466 VanDerWaalsContact O-N 3.13Å | ||
| 1465 | N | 34.3 | Very low | 30.3 | Very low | 167 Ų | 167 | 150.2 Ų | 150.2 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | 14.4 | -165.9 | -75.6 | 10.9 | 0 | 0 | 0 | 118 | ||
| 1466 | T | 31 | Very low | 30.4 | Very low | 147 Ų | 147 | 153.9 Ų | 153.9 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | 20.8 | 172.5 | 19.5 | 0 | 0 | 0 | 0 | 114.3 | K1464 | K1464-T1466 VanDerWaalsContact C-N 3.34Å; K1464-T1466 PolarHBondContact O-N 2.8Å; K1464-T1466 VanDerWaalsContact O-N 3.13Å |
| 1467 | K | 29.2 | Very low | 30.4 | Very low | 182 Ų | 182 | 156.4 Ų | 156.4 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -127.4 | 24.5 | -170.3 | -95.8 | -165.6 | 174.2 | -170.5 | 0 | 117.6 | ||||
| 1468 | V | 28.1 | Very low | 30.4 | Very low | 112 Ų | 112 | 158.1 Ų | 158.1 | 68% | 0.679 | 79% | 0.789 | S | S | * | * | trans | -129.9 | 57.5 | -179.5 | -158.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1469 | A | 29.6 | Very low | 30.7 | Very low | 100 Ų | 100 | 155 Ų | 155 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -123.6 | -15.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1470 | I | 36.9 | Very low | 31.5 | Very low | 143 Ų | 143 | 150 Ų | 150 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -108.5 | -2.7 | -168.5 | -64.9 | 163.1 | 0 | 0 | 0 | 112.5 | ||
| 1471 | L | 28.8 | Very low | 32.1 | Very low | 98 Ų | 98 | 148.2 Ų | 148.2 | 51% | 0.513 | 75% | 0.752 | S | S | . | * | S | Bend | trans | -127.7 | 15.1 | -157.3 | -110.7 | 172.1 | 0 | 0 | 0 | 117.7 | I1431 | I1431-L1471 HydrophobicContact CD1-CD1 4.17Å; I1431-L1471 HydrophobicContact CD1-CD2 3.85Å; I1431-L1471 HydrophobicContact CD1-CG 3.85Å |
| 1472 | R | 30.3 | Very low | 33.3 | Very low | 189 Ų | 189 | 143 Ų | 143 | 71% | 0.713 | 73% | 0.733 | S | S | * | * | trans | -133.2 | 58.4 | 178.2 | -76.5 | -166.9 | 179.2 | 175 | 2 | 115 | ||||
| 1473 | R | 31.8 | Very low | 35 | Very low | 204 Ų | 204 | 136.9 Ų | 136.9 | 77% | 0.77 | 70% | 0.696 | S | S | * | * | trans | -140.5 | 54.5 | 150.3 | -69.2 | -160.8 | -160.3 | -140.7 | 4.1 | 111.4 | E469 N1475 | E469-R1473 VanDerWaalsContact CD-NH2 3.34Å; E469-R1473 IonicContact OE1-CZ 2.7Å; E469-R1473 IonicContact OE1-NH1 2.66Å; E469-R1473 PolarHBondContact OE1-NH1 2.98Å; E469-R1473 IonicContact OE1-NH2 2.62Å; E469-R1473 PolarHBondContact OE1-NH2 3.13Å; E469-R1473 IonicContact OE2-NH2 3.11Å; E469-R1473 PolarHBondContact OE2-NH2 3.38Å; R1473-N1475 PolarHBondContact O-N 3.47Å | ||
| 1474 | L | 28.2 | Very low | 36.8 | Very low | 173 Ų | 173 | 131.4 Ų | 131.4 | 91% | 0.906 | 67% | 0.668 | S | S | * | * | trans | -74 | 98.3 | 162.2 | -88.2 | 171.5 | 0 | 0 | 0 | 109 | ||||
| 1475 | N | 29.4 | Very low | 38.5 | Very low | 153 Ų | 153 | 125 Ų | 125 | 82% | 0.818 | 65% | 0.645 | S | S | * | * | trans | -139.6 | 149.3 | 154.2 | -151.4 | -13.5 | 0 | 0 | 0 | 109.2 | R1473 | R1473-N1475 PolarHBondContact O-N 3.47Š| ||
| 1476 | Q | 31.3 | Very low | 39.8 | Very low | 166 Ų | 166 | 119.7 Ų | 119.7 | 78% | 0.776 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -84.7 | 147.3 | -159.3 | -64.4 | 169.7 | -13.5 | 0 | 0 | 112.7 | ||
| 1477 | N | 31.5 | Very low | 41.5 | Very low | 141 Ų | 141 | 116.4 Ų | 116.4 | 75% | 0.754 | 59% | 0.594 | S | S | * | * | S | Bend | trans | 88.4 | 20.6 | 161.2 | -48.2 | -50.2 | 0 | 0 | 0 | 120.8 | ||
| 1478 | Q | 33.3 | Very low | 43.2 | Very low | 193 Ų | 193 | 108.1 Ų | 108.1 | 90% | 0.902 | 56% | 0.561 | S | S | * | * | trans | -133.1 | 127.1 | 156.6 | -67.2 | -167.5 | -2.5 | 0 | 0 | 110.4 | ||||
| 1479 | N | 34.6 | Very low | 45.1 | Very low | 143 Ų | 143 | 107.8 Ų | 107.8 | 77% | 0.765 | 55% | 0.552 | S | S | * | * | trans | -115.3 | 153 | -155.1 | -69.3 | -29.2 | 0 | 0 | 0 | 114.7 | ||||
| 1480 | N | 45 | Very low | 46.9 | Very low | 83 Ų | 83 | 103.1 Ų | 103.1 | 44% | 0.444 | 51% | 0.513 | S | S | . | . | trans | 69.5 | 133 | 169 | -64.1 | -2.1 | 0 | 0 | 0 | 117.8 | T1482 | N1480-T1482 PolarHBondContact O-N 3.38Š| ||
| 1481 | P | 46.6 | Very low | 48.1 | Very low | 52 Ų | 52 | 100.5 Ų | 100.5 | 34% | 0.338 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -56 | 130.4 | 146.9 | -9.4 | 23.4 | 0 | 0 | 0 | 108.3 | C1427 T1429 | C1427-P1481 HydrophobicContact CB-CB 4.11Å; C1427-P1481 HydrophobicContact CB-CG 4.07Å; C1427-P1481 PolarHBondContact SG-O 3.32Å; T1429-P1481 HydrophobicContact CG2-CG 3.49Å; T1429-P1481 VanDerWaalsContact CG2-CG 3.49Å |
| 1482 | T | 55.7 | Low | 49.8 | Very low | 66 Ų | 66 | 96.2 Ų | 96.2 | 41% | 0.405 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 139.9 | 179.6 | -62.8 | 0 | 0 | 0 | 0 | 110 | N1480 | N1480-T1482 PolarHBondContact O-N 3.38Š|
| 1483 | C | 63 | Low | 51.2 | Low | 2 Ų | 2 | 90.4 Ų | 90.4 | 1% | 0.014 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 155.1 | 174.8 | 80.4 | 0 | 0 | 0 | 0 | 111.5 | C1424 P1425 | C1424-C1483 WeakPolarHBondContact CA-SG 3.28Å; C1424-C1483 HydrophobicContact CB-CB 3.7Å; C1424-C1483 WeakPolarHBondContact CB-SG 3Å; C1424-C1483 WeakPolarHBondContact SG-CB 3.44Å; C1424-C1483 PolarHBondContact SG-N 2.02Å; C1424-C1483 VanDerWaalsContact SG-N 3.4Å; C1424-C1483 CovalentContact SG-SG 2.03Å; C1424-C1483 PolarHBondContact SG-SG 3.44Å; P1425-C1483 HydrophobicContact CG-CB 4.47Å |
| 1484 | H | 64.4 | Low | 52.7 | Low | 63 Ų | 63 | 83.7 Ų | 83.7 | 29% | 0.292 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 122.8 | 178.9 | -178.5 | -120 | 0 | 0 | 0 | 110.7 | Q1486 T1487 G1488 Q1489 | H1484-Q1486 PolarHBondContact O-N 3.44Å; H1484-T1487 PolarHBondContact ND1-N 3Å; H1484-T1487 PolarHBondContact ND1-OG1 3.25Å; H1484-T1487 PolarHBondContact O-N 3Å; H1484-G1488 PolarHBondContact O-N 2.04Å; H1484-Q1489 WeakPolarHBondContact CB-O 3.15Å; H1484-Q1489 PolarHBondContact N-O 2.76Å |
| 1485 | P | 64.6 | Low | 54.6 | Low | 47 Ų | 47 | 76.2 Ų | 76.2 | 31% | 0.305 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -15.4 | -167.2 | 26.7 | -36.5 | 0 | 0 | 0 | 113.6 | G1401 C1411 Y1416 G1417 | G1401-P1485 VanDerWaalsContact CA-O 3.23Å; G1401-P1485 WeakPolarHBondContact CA-O 3.41Å; G1401-P1485 PolarHBondContact N-O 3.12Å; C1411-P1485 HydrophobicContact CB-CB 4Å; Y1416-P1485 CarbonylContact C-O 3.33Å; Y1416-P1485 WeakPolarHBondContact CA-O 3.21Å; Y1416-P1485 VanDerWaalsContact CB-O 3.27Å; Y1416-P1485 WeakPolarHBondContact CB-O 3.31Å; G1417-P1485 PolarHBondContact N-O 2.93Å |
| 1486 | Q | 61.8 | Low | 56.6 | Low | 57 Ų | 57 | 69.7 Ų | 69.7 | 27% | 0.266 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -51 | 173 | -44.3 | -162.9 | -29.6 | 0 | 0 | 112.2 | A1400 H1484 | A1400-Q1486 HydrophobicContact CB-CB 4.01Å; A1400-Q1486 VanDerWaalsContact CB-O 3.22Å; A1400-Q1486 WeakPolarHBondContact CB-O 3.09Å; A1400-Q1486 VanDerWaalsContact O-CG 3.25Å; A1400-Q1486 WeakPolarHBondContact O-CG 3.08Å; H1484-Q1486 PolarHBondContact O-N 3.44Å |
| 1487 | T | 66.6 | Low | 58.4 | Low | 77 Ų | 77 | 64.7 Ų | 64.7 | 47% | 0.472 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -16.4 | -165.9 | 56.4 | 0 | 0 | 0 | 0 | 114.7 | H1484 Q1489 | H1484-T1487 PolarHBondContact ND1-N 3Å; H1484-T1487 PolarHBondContact ND1-OG1 3.25Å; H1484-T1487 PolarHBondContact O-N 3Å; T1487-Q1489 PolarHBondContact O-N 2.86Å; T1487-Q1489 WeakPolarHBondContact OG1-CB 3.32Å |
| 1488 | G | 66.6 | Low | 60.1 | Low | 9 Ų | 9 | 59.6 Ų | 59.6 | 9% | 0.093 | 34% | 0.342 | C | S | . | . | trans | 76.4 | 3.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y1416 P1425 H1484 | Y1416-G1488 VanDerWaalsContact CD2-N 3.29Å; Y1416-G1488 VanDerWaalsContact CG-CA 3.5Å; P1425-G1488 VanDerWaalsContact CD-O 3.3Å; P1425-G1488 WeakPolarHBondContact CD-O 3.19Å; P1425-G1488 WeakPolarHBondContact CG-O 3.34Å; H1484-G1488 PolarHBondContact O-N 2.04Å | ||
| 1489 | Q | 66.5 | Low | 61.6 | Low | 104 Ų | 104 | 59.5 Ų | 59.5 | 49% | 0.486 | 34% | 0.339 | S | S | . | . | trans | -85 | 139.6 | -176.2 | -172 | 160.2 | -28.6 | 0 | 0 | 110.8 | H1484 T1487 D1513 | H1484-Q1489 WeakPolarHBondContact CB-O 3.15Å; H1484-Q1489 PolarHBondContact N-O 2.76Å; T1487-Q1489 PolarHBondContact O-N 2.86Å; T1487-Q1489 WeakPolarHBondContact OG1-CB 3.32Å; Q1489-D1513 PolarHBondContact NE2-OD2 3Å | ||
| 1490 | C | 67.1 | Low | 63.2 | Low | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.014 | 31% | 0.314 | C | S | . | . | trans | -72.6 | 130.7 | 173.5 | -69.4 | 0 | 0 | 0 | 0 | 110 | C1427 C1492 K1499 C1501 | C1427-C1490 WeakPolarHBondContact CA-SG 3.32Å; C1427-C1490 HydrophobicContact CB-CB 3.76Å; C1427-C1490 WeakPolarHBondContact CB-SG 3.46Å; C1427-C1490 VanDerWaalsContact SG-CA 3.59Å; C1427-C1490 WeakPolarHBondContact SG-CB 3.29Å; C1427-C1490 CovalentContact SG-SG 2.03Å; C1427-C1490 PolarHBondContact SG-SG 2.81Å; C1490-C1492 PolarHBondContact O-N 2.91Å; C1490-K1499 PolarHBondContact SG-O 2.97Å; C1490-K1499 VanDerWaalsContact SG-O 3.36Å; C1490-C1501 VanDerWaalsContact CB-SG 3.53Å | ||
| 1491 | P | 62.5 | Low | 64.3 | Low | 89 Ų | 89 | 51.6 Ų | 51.6 | 58% | 0.578 | 30% | 0.297 | S | S | * | . | trans | -75.2 | 96.3 | 174.7 | 29.6 | -32.6 | 0 | 0 | 0 | 109.5 | ||||
| 1492 | C | 64.8 | Low | 65.2 | Low | 8 Ų | 8 | 52.2 Ų | 52.2 | 5% | 0.054 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 134.1 | -174.6 | -59.6 | 0 | 0 | 0 | 0 | 112.3 | C1490 G1498 C1501 D1513 | C1490-C1492 PolarHBondContact O-N 2.91Å; C1492-G1498 PolarHBondContact SG-O 2.73Å; C1492-G1498 VanDerWaalsContact SG-O 3.39Å; C1492-C1501 WeakPolarHBondContact CA-SG 3.01Å; C1492-C1501 HydrophobicContact CB-CB 3.69Å; C1492-C1501 WeakPolarHBondContact CB-SG 3.48Å; C1492-C1501 WeakPolarHBondContact SG-CA 3.04Å; C1492-C1501 WeakPolarHBondContact SG-CB 3.47Å; C1492-C1501 CovalentContact SG-SG 2.04Å; C1492-C1501 PolarHBondContact SG-SG 2.82Å; C1492-D1513 WeakPolarHBondContact CB-OD1 3.07Å |
| 1493 | P | 59.8 | Low | 65.9 | Low | 66 Ų | 66 | 51.8 Ų | 51.8 | 43% | 0.429 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 145.3 | 179.7 | 26.7 | -34.4 | 0 | 0 | 0 | 110.4 | G1495 S1496 | P1493-G1495 PolarHBondContact O-N 3.17Å; P1493-G1495 VanDerWaalsContact O-N 3.17Å; P1493-S1496 PolarHBondContact O-N 2.88Å; P1493-S1496 PolarHBondContact O-OG 2.91Å |
| 1494 | P | 64.4 | Low | 66.2 | Low | 64 Ų | 64 | 56.4 Ų | 56.4 | 42% | 0.416 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 124.8 | -177.4 | -26.2 | 34.5 | 0 | 0 | 0 | 111.8 | G1511 I1529 | P1494-G1511 WeakPolarHBondContact CA-O 3.25Å; P1494-I1529 HydrophobicContact CB-CG2 4.02Å; P1494-I1529 WeakPolarHBondContact CB-O 3.44Å |
| 1495 | G | 68.2 | Low | 66.6 | Low | 15 Ų | 15 | 54.3 Ų | 54.3 | 16% | 0.155 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 107.5 | -5.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | P1493 C1505 G1511 S1528 | P1493-G1495 PolarHBondContact O-N 3.17Å; P1493-G1495 VanDerWaalsContact O-N 3.17Å; G1495-C1505 WeakPolarHBondContact CA-SG 3.06Å; G1495-C1505 PolarHBondContact O-N 2.94Å; G1495-C1505 PolarHBondContact O-SG 2.93Å; G1495-G1511 PolarHBondContact N-O 3.43Å; G1495-S1528 WeakPolarHBondContact CA-O 3.27Å; G1495-S1528 PolarHBondContact N-O 2.73Å |
| 1496 | S | 70.5 | Confident | 67.1 | Low | 16 Ų | 16 | 54.9 Ų | 54.9 | 11% | 0.112 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 160.2 | 169.2 | 70.8 | 0 | 0 | 0 | 0 | 114.8 | P1493 C1501 T1503 | P1493-S1496 PolarHBondContact O-N 2.88Å; P1493-S1496 PolarHBondContact O-OG 2.91Å; S1496-C1501 PolarHBondContact OG-O 2.94Å; S1496-T1503 CarbonylContact C-O 3.58Å; S1496-T1503 WeakPolarHBondContact CA-O 3.19Å; S1496-T1503 WeakPolarHBondContact CB-O 3.41Å |
| 1497 | E | 69.3 | Low | 67.4 | Low | 61 Ų | 61 | 61 Ų | 61 | 29% | 0.285 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 174.6 | 178.8 | 59.1 | 176.6 | -136 | 0 | 0 | 110.4 | C1501 T1503 P1506 C1514 | E1497-C1501 CarbonylContact O-C 3.31Å; E1497-C1501 WeakPolarHBondContact O-CA 3.16Å; E1497-T1503 HydrophobicContact CG-CG2 3.86Å; E1497-T1503 PolarHBondContact N-O 2.82Å; E1497-T1503 WeakPolarHBondContact O-CB 3.46Å; E1497-T1503 PolarHBondContact O-N 3.42Å; E1497-T1503 VanDerWaalsContact O-N 3.12Å; E1497-P1506 WeakPolarHBondContact OE2-CD 3.21Å; E1497-C1514 HydrophobicContact CB-CB 4.39Å; E1497-C1514 WeakPolarHBondContact OE2-CB 3.2Å |
| 1498 | G | 67.3 | Low | 67.5 | Low | 35 Ų | 35 | 61.9 Ų | 61.9 | 36% | 0.361 | 35% | 0.353 | S | S | . | . | S | Bend | trans | 104.1 | 159.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | C1492 D1500 C1501 | C1492-G1498 PolarHBondContact SG-O 2.73Å; C1492-G1498 VanDerWaalsContact SG-O 3.39Å; G1498-D1500 PolarHBondContact O-N 2.04Å; G1498-C1501 PolarHBondContact O-N 3.34Å |
| 1499 | K | 64.7 | Low | 68.1 | Low | 191 Ų | 191 | 66 Ų | 66 | 83% | 0.83 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -21.6 | -169.4 | -67.3 | -172.5 | 177.3 | -175.5 | 0 | 114.9 | C1490 | C1490-K1499 PolarHBondContact SG-O 2.97Å; C1490-K1499 VanDerWaalsContact SG-O 3.36Å |
| 1500 | D | 68.6 | Low | 68.9 | Low | 46 Ų | 46 | 62.7 Ų | 62.7 | 25% | 0.246 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.1 | 9.4 | 176 | 66.5 | -22.5 | 0 | 0 | 0 | 111.9 | H1428 G1498 S1502 | H1428-D1500 WeakPolarHBondContact CA-O 3.41Å; H1428-D1500 HydrophobicContact CB-CB 4.24Å; H1428-D1500 VanDerWaalsContact CB-O 3.31Å; H1428-D1500 WeakPolarHBondContact CB-O 3.36Å; H1428-D1500 IonicContact CD2-OD2 2.79Å; H1428-D1500 IonicContact CG-OD2 3.45Å; H1428-D1500 PolarHBondContact N-O 2.9Å; G1498-D1500 PolarHBondContact O-N 2.04Å; D1500-S1502 VanDerWaalsContact C-N 3.3Å; D1500-S1502 PolarHBondContact O-N 3.22Å; D1500-S1502 VanDerWaalsContact OD1-CB 3.26Å; D1500-S1502 WeakPolarHBondContact OD1-CB 3.47Å; D1500-S1502 PolarHBondContact OD1-N 2.79Å; D1500-S1502 PolarHBondContact OD1-OG 3.37Å; D1500-S1502 PolarHBondContact OD2-OG 3.39Å |
| 1501 | C | 67.1 | Low | 68.6 | Low | 14 Ų | 14 | 62.8 Ų | 62.8 | 10% | 0.095 | 35% | 0.351 | C | S | . | . | S | Bend | trans | 64.1 | 23.1 | -176.8 | -47.2 | 0 | 0 | 0 | 0 | 116.2 | C1490 C1492 S1496 E1497 G1498 | C1490-C1501 VanDerWaalsContact CB-SG 3.53Å; C1492-C1501 WeakPolarHBondContact CA-SG 3.01Å; C1492-C1501 HydrophobicContact CB-CB 3.69Å; C1492-C1501 WeakPolarHBondContact CB-SG 3.48Å; C1492-C1501 WeakPolarHBondContact SG-CA 3.04Å; C1492-C1501 WeakPolarHBondContact SG-CB 3.47Å; C1492-C1501 CovalentContact SG-SG 2.04Å; C1492-C1501 PolarHBondContact SG-SG 2.82Å; S1496-C1501 PolarHBondContact OG-O 2.94Å; E1497-C1501 CarbonylContact O-C 3.31Å; E1497-C1501 WeakPolarHBondContact O-CA 3.16Å; G1498-C1501 PolarHBondContact O-N 3.34Å |
| 1502 | S | 66.4 | Low | 68.6 | Low | 64 Ų | 64 | 61.9 Ų | 61.9 | 45% | 0.448 | 35% | 0.345 | S | S | . | . | trans | -79.9 | -8.6 | -177.5 | 59.2 | 0 | 0 | 0 | 0 | 116.2 | D1500 | D1500-S1502 VanDerWaalsContact C-N 3.3Å; D1500-S1502 PolarHBondContact O-N 3.22Å; D1500-S1502 VanDerWaalsContact OD1-CB 3.26Å; D1500-S1502 WeakPolarHBondContact OD1-CB 3.47Å; D1500-S1502 PolarHBondContact OD1-N 2.79Å; D1500-S1502 PolarHBondContact OD1-OG 3.37Å; D1500-S1502 PolarHBondContact OD2-OG 3.39Å | ||
| 1503 | T | 70.8 | Confident | 68.8 | Low | 57 Ų | 57 | 64.2 Ų | 64.2 | 35% | 0.35 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 129.2 | -171.4 | -56.5 | 0 | 0 | 0 | 0 | 111.4 | S1496 E1497 | S1496-T1503 CarbonylContact C-O 3.58Å; S1496-T1503 WeakPolarHBondContact CA-O 3.19Å; S1496-T1503 WeakPolarHBondContact CB-O 3.41Å; E1497-T1503 HydrophobicContact CG-CG2 3.86Å; E1497-T1503 PolarHBondContact N-O 2.82Å; E1497-T1503 WeakPolarHBondContact O-CB 3.46Å; E1497-T1503 PolarHBondContact O-N 3.42Å; E1497-T1503 VanDerWaalsContact O-N 3.12Å |
| 1504 | P | 68.4 | Low | 69.5 | Low | 99 Ų | 99 | 61.1 Ų | 61.1 | 64% | 0.643 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 152.9 | 174.4 | -16.4 | 30.9 | 0 | 0 | 0 | 112.7 | ||
| 1505 | C | 72.7 | Confident | 69.8 | Low | 19 Ų | 19 | 61.3 Ų | 61.3 | 13% | 0.128 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 140.6 | 176.5 | -68.9 | 0 | 0 | 0 | 0 | 113.5 | G1495 C1514 | G1495-C1505 WeakPolarHBondContact CA-SG 3.06Å; G1495-C1505 PolarHBondContact O-N 2.94Å; G1495-C1505 PolarHBondContact O-SG 2.93Å; C1505-C1514 WeakPolarHBondContact CA-SG 3.32Å; C1505-C1514 HydrophobicContact CB-CB 3.76Å; C1505-C1514 WeakPolarHBondContact CB-SG 3.09Å; C1505-C1514 VanDerWaalsContact SG-CA 3.56Å; C1505-C1514 WeakPolarHBondContact SG-CB 3.34Å; C1505-C1514 CovalentContact SG-SG 2.03Å; C1505-C1514 PolarHBondContact SG-SG 3.43Å |
| 1506 | P | 74.2 | Confident | 69.5 | Low | 59 Ų | 59 | 65.5 Ų | 65.5 | 38% | 0.383 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -57 | 160.3 | 168.2 | -24.5 | 34.1 | 0 | 0 | 0 | 112.6 | E1497 R1509 | E1497-P1506 WeakPolarHBondContact OE2-CD 3.21Å; P1506-R1509 PolarHBondContact O-N 3.01Å |
| 1507 | K | 69 | Low | 69.7 | Low | 187 Ų | 187 | 68.8 Ų | 68.8 | 81% | 0.813 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 145 | 168.1 | -101.6 | -175.3 | 175.3 | -179.7 | 0 | 110.9 | R1509 | K1507-R1509 PolarHBondContact O-N 3.41Š|
| 1508 | D | 69 | Low | 69.6 | Low | 94 Ų | 94 | 66.7 Ų | 66.7 | 50% | 0.503 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62 | 19.6 | 177.5 | -42.8 | -48.6 | 0 | 0 | 0 | 114 | V1517 C1518 | D1508-V1517 WeakPolarHBondContact O-CA 3.45Å; D1508-C1518 PolarHBondContact O-N 2.73Å |
| 1509 | R | 79.1 | Confident | 70 | Confident | 97 Ų | 97 | 69.7 Ų | 69.7 | 37% | 0.366 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 151.6 | 171.2 | -75.1 | -178.2 | 167.1 | -80 | -5.7 | 112.7 | P1506 K1507 C1514 A1515 Q1516 | P1506-R1509 PolarHBondContact O-N 3.01Å; K1507-R1509 PolarHBondContact O-N 3.41Å; R1509-C1514 HydrophobicContact CB-CB 4.29Å; R1509-C1514 WeakPolarHBondContact CD-O 3.43Å; R1509-C1514 PolarHBondContact NH1-O 2.84Å; R1509-A1515 PolarHBondContact NH1-O 2.86Å; R1509-Q1516 CarbonylContact C-O 3.59Å; R1509-Q1516 VanDerWaalsContact CA-O 3.22Å; R1509-Q1516 WeakPolarHBondContact CA-O 3.48Å |
| 1510 | F | 82.6 | Confident | 70.4 | Confident | 34 Ų | 34 | 62 Ų | 62 | 15% | 0.149 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 172.3 | 179.7 | 75.9 | -83.4 | 0 | 0 | 0 | 114.2 | C1514 Q1516 C1518 S1527 S1528 | F1510-C1514 CarbonylContact O-C 3.6Å; F1510-Q1516 HydrophobicContact CD1-CB 3.71Å; F1510-Q1516 HydrophobicContact CD2-CB 4.1Å; F1510-Q1516 HydrophobicContact CE1-CB 3.42Å; F1510-Q1516 VanDerWaalsContact CE1-CB 3.42Å; F1510-Q1516 HydrophobicContact CE2-CB 3.83Å; F1510-Q1516 HydrophobicContact CE2-CG 4.3Å; F1510-Q1516 HydrophobicContact CG-CB 4.07Å; F1510-Q1516 HydrophobicContact CZ-CB 3.5Å; F1510-Q1516 VanDerWaalsContact CZ-CB 3.5Å; F1510-Q1516 HydrophobicContact CZ-CG 4.28Å; F1510-Q1516 PolarHBondContact N-O 2.65Å; F1510-Q1516 PolarHBondContact O-N 2.85Å; F1510-Q1516 VanDerWaalsContact O-N 3.15Å; F1510-C1518 WeakPolarHBondContact CD1-SG 3.4Å; F1510-S1527 WeakPolarHBondContact CB-O 3.24Å; F1510-S1528 CarbonylContact C-O 3.45Å; F1510-S1528 WeakPolarHBondContact CA-O 3.4Å; F1510-S1528 WeakPolarHBondContact CB-O 3.45Å |
| 1511 | G | 60.9 | Low | 70.6 | Confident | 3 Ų | 3 | 64.2 Ų | 64.2 | 3% | 0.031 | 36% | 0.361 | C | S | . | . | S | Bend | trans | 89.1 | -173.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | P1494 G1495 C1514 S1528 | P1494-G1511 WeakPolarHBondContact CA-O 3.25Å; G1495-G1511 PolarHBondContact N-O 3.43Å; G1511-C1514 PolarHBondContact O-N 2.96Å; G1511-S1528 PolarHBondContact N-O 3.36Å |
| 1512 | P | 62.8 | Low | 70.8 | Confident | 70 Ų | 70 | 67.1 Ų | 67.1 | 46% | 0.455 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -64.2 | 140.8 | 171.7 | 28.9 | -34.5 | 0 | 0 | 0 | 110.5 | C1514 A1515 | P1512-C1514 PolarHBondContact O-N 3.07Å; P1512-A1515 PolarHBondContact O-N 2.94Å |
| 1513 | D | 68.4 | Low | 70.8 | Confident | 58 Ų | 58 | 66 Ų | 66 | 31% | 0.31 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | 47.3 | 25 | -173.5 | -74.6 | -15.6 | 0 | 0 | 0 | 114.2 | Q1489 C1492 A1515 | Q1489-D1513 PolarHBondContact NE2-OD2 3Å; C1492-D1513 WeakPolarHBondContact CB-OD1 3.07Å; D1513-A1515 PolarHBondContact O-N 3.46Å |
| 1514 | C | 74.6 | Confident | 70.6 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | 52.2 | 27.3 | 176.3 | -49.7 | 0 | 0 | 0 | 0 | 114.1 | E1497 C1505 R1509 F1510 G1511 P1512 Q1516 | E1497-C1514 HydrophobicContact CB-CB 4.39Å; E1497-C1514 WeakPolarHBondContact OE2-CB 3.2Å; C1505-C1514 WeakPolarHBondContact CA-SG 3.32Å; C1505-C1514 HydrophobicContact CB-CB 3.76Å; C1505-C1514 WeakPolarHBondContact CB-SG 3.09Å; C1505-C1514 VanDerWaalsContact SG-CA 3.56Å; C1505-C1514 WeakPolarHBondContact SG-CB 3.34Å; C1505-C1514 CovalentContact SG-SG 2.03Å; C1505-C1514 PolarHBondContact SG-SG 3.43Å; R1509-C1514 HydrophobicContact CB-CB 4.29Å; R1509-C1514 WeakPolarHBondContact CD-O 3.43Å; R1509-C1514 PolarHBondContact NH1-O 2.84Å; F1510-C1514 CarbonylContact O-C 3.6Å; G1511-C1514 PolarHBondContact O-N 2.96Å; P1512-C1514 PolarHBondContact O-N 3.07Å; C1514-Q1516 PolarHBondContact O-N 2.92Å |
| 1515 | A | 70.7 | Confident | 70.9 | Confident | 69 Ų | 69 | 63.2 Ų | 63.2 | 57% | 0.57 | 36% | 0.357 | S | S | * | . | trans | -69.6 | -30.4 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | R1509 P1512 D1513 | R1509-A1515 PolarHBondContact NH1-O 2.86Å; P1512-A1515 PolarHBondContact O-N 2.94Å; D1513-A1515 PolarHBondContact O-N 3.46Å | ||
| 1516 | Q | 63.1 | Low | 71 | Confident | 102 Ų | 102 | 63.4 Ų | 63.4 | 48% | 0.477 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 148.8 | -173.1 | -50.6 | -171.7 | 33.3 | 0 | 0 | 111.2 | R1509 F1510 C1514 | R1509-Q1516 CarbonylContact C-O 3.59Å; R1509-Q1516 VanDerWaalsContact CA-O 3.22Å; R1509-Q1516 WeakPolarHBondContact CA-O 3.48Å; F1510-Q1516 HydrophobicContact CD1-CB 3.71Å; F1510-Q1516 HydrophobicContact CD2-CB 4.1Å; F1510-Q1516 HydrophobicContact CE1-CB 3.42Å; F1510-Q1516 VanDerWaalsContact CE1-CB 3.42Å; F1510-Q1516 HydrophobicContact CE2-CB 3.83Å; F1510-Q1516 HydrophobicContact CE2-CG 4.3Å; F1510-Q1516 HydrophobicContact CG-CB 4.07Å; F1510-Q1516 HydrophobicContact CZ-CB 3.5Å; F1510-Q1516 VanDerWaalsContact CZ-CB 3.5Å; F1510-Q1516 HydrophobicContact CZ-CG 4.28Å; F1510-Q1516 PolarHBondContact N-O 2.65Å; F1510-Q1516 PolarHBondContact O-N 2.85Å; F1510-Q1516 VanDerWaalsContact O-N 3.15Å; C1514-Q1516 PolarHBondContact O-N 2.92Å |
| 1517 | V | 75.1 | Confident | 71 | Confident | 85 Ų | 85 | 62.1 Ų | 62.1 | 52% | 0.515 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 135.7 | -175.9 | 178.5 | 0 | 0 | 0 | 0 | 110.2 | D1508 | D1508-V1517 WeakPolarHBondContact O-CA 3.45Å |
| 1518 | C | 67.1 | Low | 70.9 | Confident | 18 Ų | 18 | 55.6 Ų | 55.6 | 12% | 0.122 | 33% | 0.329 | C | S | . | . | trans | -83 | 127.7 | -176.8 | -57 | 0 | 0 | 0 | 0 | 112.4 | D1508 F1510 C1526 | D1508-C1518 PolarHBondContact O-N 2.73Å; F1510-C1518 WeakPolarHBondContact CD1-SG 3.4Å; C1518-C1526 HydrophobicContact CB-CB 3.54Å; C1518-C1526 WeakPolarHBondContact CB-SG 3.14Å; C1518-C1526 WeakPolarHBondContact SG-CB 3.33Å; C1518-C1526 CovalentContact SG-SG 2.02Å; C1518-C1526 PolarHBondContact SG-SG 2.75Å | ||
| 1519 | T | 75 | Confident | 70.8 | Confident | 98 Ų | 98 | 55.8 Ų | 55.8 | 60% | 0.601 | 33% | 0.328 | S | S | * | . | trans | -110.2 | 41.5 | -179 | 51.2 | 0 | 0 | 0 | 0 | 112.9 | L1543 | T1519-L1543 WeakPolarHBondContact OG1-CD2 3.47Š| ||
| 1520 | C | 73.6 | Confident | 70.1 | Confident | 30 Ų | 30 | 55 Ų | 55 | 20% | 0.203 | 34% | 0.335 | C | S | . | . | trans | -73.6 | 129.2 | -176.5 | -55.7 | 0 | 0 | 0 | 0 | 112.5 | A1524 C1533 | C1520-A1524 HydrophobicContact CB-CB 4.06Å; C1520-A1524 WeakPolarHBondContact CB-O 3.36Å; C1520-C1533 WeakPolarHBondContact CA-SG 3.18Å; C1520-C1533 HydrophobicContact CB-CB 3.82Å; C1520-C1533 WeakPolarHBondContact CB-SG 3.04Å; C1520-C1533 VanDerWaalsContact SG-CA 3.58Å; C1520-C1533 WeakPolarHBondContact SG-CB 3.44Å; C1520-C1533 CovalentContact SG-SG 2.04Å; C1520-C1533 PolarHBondContact SG-SG 2.66Å | ||
| 1521 | Q | 72.9 | Confident | 69.5 | Low | 92 Ų | 92 | 53.9 Ų | 53.9 | 43% | 0.43 | 33% | 0.333 | S | S | . | . | trans | -91.3 | 175.3 | 177.2 | -54.7 | -173.3 | 9.7 | 0 | 0 | 111.5 | G1523 A1524 L1543 | Q1521-G1523 PolarHBondContact O-N 2.86Å; Q1521-A1524 WeakPolarHBondContact O-CB 3.25Å; Q1521-A1524 PolarHBondContact O-N 3.24Å; Q1521-A1524 VanDerWaalsContact O-N 3.09Å; Q1521-L1543 WeakPolarHBondContact CA-O 3.45Å; Q1521-L1543 VanDerWaalsContact CB-O 3.29Å; Q1521-L1543 WeakPolarHBondContact CB-O 3.42Å; Q1521-L1543 HydrophobicContact CG-CB 4.28Å; Q1521-L1543 PolarHBondContact N-O 3.29Å | ||
| 1522 | N | 70.1 | Confident | 70 | Confident | 75 Ų | 75 | 57.9 Ų | 57.9 | 40% | 0.401 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 25.6 | 175.4 | -64.9 | -50.2 | 0 | 0 | 0 | 115.2 | A1524 F1539 C1544 | N1522-A1524 VanDerWaalsContact C-N 3.31Å; N1522-A1524 PolarHBondContact O-N 2.92Å; N1522-F1539 HydrophobicContact CB-CD1 3.83Å; N1522-F1539 HydrophobicContact CB-CD2 4.44Å; N1522-F1539 HydrophobicContact CB-CE1 3.74Å; N1522-F1539 HydrophobicContact CB-CE2 4.35Å; N1522-F1539 HydrophobicContact CB-CG 4.19Å; N1522-F1539 HydrophobicContact CB-CZ 4Å; N1522-F1539 WeakPolarHBondContact ND2-CD1 3.21Å; N1522-F1539 WeakPolarHBondContact ND2-CE1 3.38Å; N1522-C1544 PolarHBondContact ND2-O 2.62Å |
| 1523 | G | 66.8 | Low | 70.7 | Confident | 41 Ų | 41 | 55.2 Ų | 55.2 | 42% | 0.423 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 20.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q1521 R1536 | Q1521-G1523 PolarHBondContact O-N 2.86Å; G1523-R1536 VanDerWaalsContact O-CZ 3.22Å; G1523-R1536 PolarHBondContact O-NE 3Å; G1523-R1536 PolarHBondContact O-NH2 2.75Å |
| 1524 | A | 66.6 | Low | 71.1 | Confident | 11 Ų | 11 | 57 Ų | 57 | 9% | 0.091 | 35% | 0.349 | C | S | . | . | trans | -67.5 | 149.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | C1520 Q1521 N1522 C1533 N1534 C1544 | C1520-A1524 HydrophobicContact CB-CB 4.06Å; C1520-A1524 WeakPolarHBondContact CB-O 3.36Å; Q1521-A1524 WeakPolarHBondContact O-CB 3.25Å; Q1521-A1524 PolarHBondContact O-N 3.24Å; Q1521-A1524 VanDerWaalsContact O-N 3.09Å; N1522-A1524 VanDerWaalsContact C-N 3.31Å; N1522-A1524 PolarHBondContact O-N 2.92Å; A1524-C1533 HydrophobicContact CB-CB 4.38Å; A1524-N1534 VanDerWaalsContact CB-O 3.24Å; A1524-N1534 WeakPolarHBondContact CB-O 3.3Å; A1524-C1544 HydrophobicContact CB-CB 3.91Å; A1524-C1544 WeakPolarHBondContact CB-SG 3.38Å | ||
| 1525 | T | 75.3 | Confident | 71.1 | Confident | 85 Ų | 85 | 57.8 Ų | 57.8 | 52% | 0.521 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 144.2 | 176.1 | 52.6 | 0 | 0 | 0 | 0 | 110.5 | N1534 | T1525-N1534 WeakPolarHBondContact O-CB 3.26Å; T1525-N1534 PolarHBondContact O-N 3.34Å; T1525-N1534 PolarHBondContact O-ND2 2.8Å |
| 1526 | C | 73.9 | Confident | 71.5 | Confident | 24 Ų | 24 | 61.4 Ų | 61.4 | 16% | 0.162 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 158.3 | 177 | 62.6 | 0 | 0 | 0 | 0 | 113.8 | C1518 G1531 T1532 | C1518-C1526 HydrophobicContact CB-CB 3.54Å; C1518-C1526 WeakPolarHBondContact CB-SG 3.14Å; C1518-C1526 WeakPolarHBondContact SG-CB 3.33Å; C1518-C1526 CovalentContact SG-SG 2.02Å; C1518-C1526 PolarHBondContact SG-SG 2.75Å; C1526-G1531 WeakPolarHBondContact CB-O 3.4Å; C1526-T1532 WeakPolarHBondContact CA-O 3.24Å |
| 1527 | S | 74.7 | Confident | 72.2 | Confident | 32 Ų | 32 | 59.3 Ų | 59.3 | 22% | 0.224 | 35% | 0.349 | C | S | . | . | trans | -72.6 | 125.3 | 161.7 | 175 | 0 | 0 | 0 | 0 | 110.6 | F1510 I1529 T1530 G1531 T1532 | F1510-S1527 WeakPolarHBondContact CB-O 3.24Å; S1527-I1529 PolarHBondContact O-N 2.74Å; S1527-I1529 PolarHBondContact OG-N 2.86Å; S1527-T1530 WeakPolarHBondContact CB-OG1 3.22Å; S1527-T1530 PolarHBondContact O-N 3.28Å; S1527-T1530 PolarHBondContact OG-N 2.04Å; S1527-T1530 PolarHBondContact OG-OG1 2.92Å; S1527-T1530 VanDerWaalsContact OG-OG1 3.08Å; S1527-G1531 WeakPolarHBondContact O-CA 3.35Å; S1527-G1531 PolarHBondContact O-N 3.23Å; S1527-T1532 PolarHBondContact N-O 3.31Å | ||
| 1528 | S | 67.1 | Low | 72.2 | Confident | 50 Ų | 50 | 55.4 Ų | 55.4 | 35% | 0.35 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -19.5 | 172.5 | 52.6 | 0 | 0 | 0 | 0 | 113.6 | G1495 F1510 G1511 | G1495-S1528 WeakPolarHBondContact CA-O 3.27Å; G1495-S1528 PolarHBondContact N-O 2.73Å; F1510-S1528 CarbonylContact C-O 3.45Å; F1510-S1528 WeakPolarHBondContact CA-O 3.4Å; F1510-S1528 WeakPolarHBondContact CB-O 3.45Å; G1511-S1528 PolarHBondContact N-O 3.36Å |
| 1529 | I | 66.8 | Low | 72.9 | Confident | 97 Ų | 97 | 56.2 Ų | 56.2 | 50% | 0.497 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -43 | 178.4 | -52.6 | -176.9 | 0 | 0 | 0 | 110.7 | P1494 S1527 | P1494-I1529 HydrophobicContact CB-CG2 4.02Å; P1494-I1529 WeakPolarHBondContact CB-O 3.44Å; S1527-I1529 PolarHBondContact O-N 2.74Å; S1527-I1529 PolarHBondContact OG-N 2.86Å |
| 1530 | T | 64 | Low | 73.2 | Confident | 81 Ų | 81 | 55.7 Ų | 55.7 | 50% | 0.497 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124 | -7.3 | -165.3 | 62 | 0 | 0 | 0 | 0 | 115.8 | S1527 T1532 | S1527-T1530 WeakPolarHBondContact CB-OG1 3.22Å; S1527-T1530 PolarHBondContact O-N 3.28Å; S1527-T1530 PolarHBondContact OG-N 2.04Å; S1527-T1530 PolarHBondContact OG-OG1 2.92Å; S1527-T1530 VanDerWaalsContact OG-OG1 3.08Å; T1530-T1532 WeakPolarHBondContact CB-OG1 3.04Å; T1530-T1532 PolarHBondContact O-N 3.22Å; T1530-T1532 PolarHBondContact OG1-OG1 3.2Å |
| 1531 | G | 70.1 | Confident | 73 | Confident | 11 Ų | 11 | 55.3 Ų | 55.3 | 11% | 0.113 | 32% | 0.316 | C | S | . | . | trans | 73.3 | -18.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | C1526 S1527 C1533 | C1526-G1531 WeakPolarHBondContact CB-O 3.4Å; S1527-G1531 WeakPolarHBondContact O-CA 3.35Å; S1527-G1531 PolarHBondContact O-N 3.23Å; G1531-C1533 PolarHBondContact O-N 3.33Å | ||
| 1532 | T | 71.6 | Confident | 72.7 | Confident | 87 Ų | 87 | 56.1 Ų | 56.1 | 53% | 0.534 | 33% | 0.329 | S | S | . | . | trans | -47.4 | 123.7 | 178.6 | -42.9 | 0 | 0 | 0 | 0 | 111.9 | C1526 S1527 T1530 | C1526-T1532 WeakPolarHBondContact CA-O 3.24Å; S1527-T1532 PolarHBondContact N-O 3.31Å; T1530-T1532 WeakPolarHBondContact CB-OG1 3.04Å; T1530-T1532 PolarHBondContact O-N 3.22Å; T1530-T1532 PolarHBondContact OG1-OG1 3.2Å | ||
| 1533 | C | 77.7 | Confident | 73 | Confident | 14 Ų | 14 | 55.4 Ų | 55.4 | 10% | 0.095 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 119.2 | 178.8 | -62.8 | 0 | 0 | 0 | 0 | 111.3 | C1520 A1524 G1531 C1535 C1544 | C1520-C1533 WeakPolarHBondContact CA-SG 3.18Å; C1520-C1533 HydrophobicContact CB-CB 3.82Å; C1520-C1533 WeakPolarHBondContact CB-SG 3.04Å; C1520-C1533 VanDerWaalsContact SG-CA 3.58Å; C1520-C1533 WeakPolarHBondContact SG-CB 3.44Å; C1520-C1533 CovalentContact SG-SG 2.04Å; C1520-C1533 PolarHBondContact SG-SG 2.66Å; A1524-C1533 HydrophobicContact CB-CB 4.38Å; G1531-C1533 PolarHBondContact O-N 3.33Å; C1533-C1535 PolarHBondContact O-N 3.31Å; C1533-C1535 VanDerWaalsContact O-N 3.09Å; C1533-C1544 WeakPolarHBondContact CB-SG 3.01Å |
| 1534 | N | 76.2 | Confident | 73.6 | Confident | 95 Ų | 95 | 53.5 Ų | 53.5 | 51% | 0.508 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 93.3 | 172.5 | -64.4 | -58.5 | 0 | 0 | 0 | 109.6 | A1524 T1525 | A1524-N1534 VanDerWaalsContact CB-O 3.24Å; A1524-N1534 WeakPolarHBondContact CB-O 3.3Å; T1525-N1534 WeakPolarHBondContact O-CB 3.26Å; T1525-N1534 PolarHBondContact O-N 3.34Å; T1525-N1534 PolarHBondContact O-ND2 2.8Å |
| 1535 | C | 75.5 | Confident | 74.2 | Confident | 17 Ų | 17 | 55.6 Ų | 55.6 | 12% | 0.115 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 135.8 | -178.9 | -53.8 | 0 | 0 | 0 | 0 | 111.8 | C1533 F1539 C1544 | C1533-C1535 PolarHBondContact O-N 3.31Å; C1533-C1535 VanDerWaalsContact O-N 3.09Å; C1535-F1539 HydrophobicContact CB-CB 4.29Å; C1535-F1539 WeakPolarHBondContact CB-O 3.38Å; C1535-C1544 WeakPolarHBondContact CA-SG 3.21Å; C1535-C1544 HydrophobicContact CB-CB 3.78Å; C1535-C1544 WeakPolarHBondContact CB-SG 3.44Å; C1535-C1544 PolarHBondContact N-SG 2.82Å; C1535-C1544 VanDerWaalsContact N-SG 3.41Å; C1535-C1544 WeakPolarHBondContact SG-CA 3.31Å; C1535-C1544 WeakPolarHBondContact SG-CB 3.05Å; C1535-C1544 CovalentContact SG-SG 2.04Å; C1535-C1544 PolarHBondContact SG-SG 3.01Å |
| 1536 | R | 77.8 | Confident | 74.3 | Confident | 144 Ų | 144 | 55.6 Ų | 55.6 | 54% | 0.543 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 155.1 | 170.3 | -61.5 | -175.8 | -177.3 | -159.2 | 2.6 | 109.5 | G1523 G1538 F1539 | G1523-R1536 VanDerWaalsContact O-CZ 3.22Å; G1523-R1536 PolarHBondContact O-NE 3Å; G1523-R1536 PolarHBondContact O-NH2 2.75Å; R1536-G1538 PolarHBondContact O-N 2.94Å; R1536-F1539 HydrophobicContact CB-CD2 4.26Å; R1536-F1539 PolarHBondContact O-N 3.03Å; R1536-F1539 VanDerWaalsContact O-N 3.17Å |
| 1537 | P | 77.4 | Confident | 74.7 | Confident | 58 Ų | 58 | 59 Ų | 59 | 38% | 0.377 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | 138.9 | 171.8 | -27.3 | 34.5 | 0 | 0 | 0 | 111.7 | G1554 V1555 K1574 | P1537-G1554 WeakPolarHBondContact CA-O 3.35Å; P1537-V1555 HydrophobicContact CG-CG2 3.99Å; P1537-K1574 HydrophobicContact CB-CB 4.35Å; P1537-K1574 HydrophobicContact CB-CG 4.45Å; P1537-K1574 WeakPolarHBondContact O-CG 3.49Å |
| 1538 | G | 75.8 | Confident | 74.8 | Confident | 3 Ų | 3 | 58.2 Ų | 58.2 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | 1.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | R1536 T1547 C1548 G1554 P1573 | R1536-G1538 PolarHBondContact O-N 2.94Å; G1538-T1547 CarbonylContact O-C 3.49Å; G1538-T1547 VanDerWaalsContact O-CA 3.29Å; G1538-T1547 WeakPolarHBondContact O-CA 3.39Å; G1538-C1548 WeakPolarHBondContact CA-SG 3.17Å; G1538-C1548 PolarHBondContact O-N 2.99Å; G1538-G1554 PolarHBondContact N-O 2.93Å; G1538-P1573 VanDerWaalsContact CA-O 3.24Å; G1538-P1573 WeakPolarHBondContact CA-O 3.41Å; G1538-P1573 PolarHBondContact N-O 2.83Å |
| 1539 | F | 81.6 | Confident | 75.1 | Confident | 35 Ų | 35 | 58.1 Ų | 58.1 | 15% | 0.154 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 149.2 | 179.9 | -61.6 | -88.7 | 0 | 0 | 0 | 113.8 | N1522 C1535 R1536 H1546 T1547 G1556 | N1522-F1539 HydrophobicContact CB-CD1 3.83Å; N1522-F1539 HydrophobicContact CB-CD2 4.44Å; N1522-F1539 HydrophobicContact CB-CE1 3.74Å; N1522-F1539 HydrophobicContact CB-CE2 4.35Å; N1522-F1539 HydrophobicContact CB-CG 4.19Å; N1522-F1539 HydrophobicContact CB-CZ 4Å; N1522-F1539 WeakPolarHBondContact ND2-CD1 3.21Å; N1522-F1539 WeakPolarHBondContact ND2-CE1 3.38Å; C1535-F1539 HydrophobicContact CB-CB 4.29Å; C1535-F1539 WeakPolarHBondContact CB-O 3.38Å; R1536-F1539 HydrophobicContact CB-CD2 4.26Å; R1536-F1539 PolarHBondContact O-N 3.03Å; R1536-F1539 VanDerWaalsContact O-N 3.17Å; F1539-H1546 CarbonylContact C-O 3.49Å; F1539-H1546 WeakPolarHBondContact CA-O 3.46Å; F1539-T1547 HydrophobicContact CD1-CG2 4Å; F1539-T1547 HydrophobicContact CE1-CG2 3.63Å; F1539-T1547 HydrophobicContact CZ-CG2 4.37Å; F1539-G1556 VanDerWaalsContact O-CA 3.32Å; F1539-G1556 WeakPolarHBondContact O-CA 3.32Å; F1539-G1556 PolarHBondContact O-N 3.18Å |
| 1540 | Y | 82.6 | Confident | 75.4 | Confident | 87 Ų | 87 | 58.5 Ų | 58.5 | 34% | 0.341 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 179.3 | 174.9 | 79.6 | -74.5 | 0 | 0 | 0 | 112.9 | C1544 Q1545 H1546 T1547 P1549 | Y1540-C1544 CarbonylContact O-C 3.51Å; Y1540-C1544 VanDerWaalsContact O-C 3.31Å; Y1540-C1544 WeakPolarHBondContact O-CA 3.5Å; Y1540-Q1545 PolarHBondContact O-N 3.26Å; Y1540-H1546 HydrophobicContact CD1-CB 3.7Å; Y1540-H1546 HydrophobicContact CE1-CB 3.33Å; Y1540-H1546 HydrophobicContact CE2-CB 4.29Å; Y1540-H1546 HydrophobicContact CG-CB 4.32Å; Y1540-H1546 PolarHBondContact N-O 2.03Å; Y1540-H1546 PolarHBondContact O-N 3.41Å; Y1540-T1547 VanDerWaalsContact CE1-O 3.27Å; Y1540-T1547 WeakPolarHBondContact CE1-O 3.39Å; Y1540-P1549 HydrophobicContact CE1-CG 4.07Å |
| 1541 | G | 68.8 | Low | 75.8 | Confident | 22 Ų | 22 | 55.8 Ų | 55.8 | 23% | 0.227 | 32% | 0.317 | C | S | . | . | S | Bend | trans | 98.6 | 158.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1543 C1544 | G1541-L1543 PolarHBondContact O-N 3.16Å; G1541-L1543 VanDerWaalsContact O-N 3.14Å; G1541-C1544 PolarHBondContact O-N 3.37Å |
| 1542 | P | 66.6 | Low | 76.4 | Confident | 109 Ų | 109 | 60.1 Ų | 60.1 | 71% | 0.708 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -24.4 | -174.4 | 22.5 | -35.2 | 0 | 0 | 0 | 114.7 | ||
| 1543 | L | 77 | Confident | 77.1 | Confident | 60 Ų | 60 | 60 Ų | 60 | 31% | 0.314 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | 11.2 | 174.1 | -52.5 | 179.4 | 0 | 0 | 0 | 111.9 | T1519 Q1521 G1541 Q1545 | T1519-L1543 WeakPolarHBondContact OG1-CD2 3.47Å; Q1521-L1543 WeakPolarHBondContact CA-O 3.45Å; Q1521-L1543 VanDerWaalsContact CB-O 3.29Å; Q1521-L1543 WeakPolarHBondContact CB-O 3.42Å; Q1521-L1543 HydrophobicContact CG-CB 4.28Å; Q1521-L1543 PolarHBondContact N-O 3.29Å; G1541-L1543 PolarHBondContact O-N 3.16Å; G1541-L1543 VanDerWaalsContact O-N 3.14Å; L1543-Q1545 HydrophobicContact CB-CB 4.44Å; L1543-Q1545 PolarHBondContact O-N 3.04Å |
| 1544 | C | 79 | Confident | 76.9 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.007 | 32% | 0.318 | C | S | . | . | S | Bend | trans | 55.8 | 30.1 | -169.6 | -52.3 | 0 | 0 | 0 | 0 | 114.2 | N1522 A1524 C1533 C1535 Y1540 G1541 | N1522-C1544 PolarHBondContact ND2-O 2.62Å; A1524-C1544 HydrophobicContact CB-CB 3.91Å; A1524-C1544 WeakPolarHBondContact CB-SG 3.38Å; C1533-C1544 WeakPolarHBondContact CB-SG 3.01Å; C1535-C1544 WeakPolarHBondContact CA-SG 3.21Å; C1535-C1544 HydrophobicContact CB-CB 3.78Å; C1535-C1544 WeakPolarHBondContact CB-SG 3.44Å; C1535-C1544 PolarHBondContact N-SG 2.82Å; C1535-C1544 VanDerWaalsContact N-SG 3.41Å; C1535-C1544 WeakPolarHBondContact SG-CA 3.31Å; C1535-C1544 WeakPolarHBondContact SG-CB 3.05Å; C1535-C1544 CovalentContact SG-SG 2.04Å; C1535-C1544 PolarHBondContact SG-SG 3.01Å; Y1540-C1544 CarbonylContact O-C 3.51Å; Y1540-C1544 VanDerWaalsContact O-C 3.31Å; Y1540-C1544 WeakPolarHBondContact O-CA 3.5Å; G1541-C1544 PolarHBondContact O-N 3.37Å |
| 1545 | Q | 78.2 | Confident | 76.9 | Confident | 55 Ų | 55 | 59.7 Ų | 59.7 | 26% | 0.257 | 32% | 0.322 | S | S | . | . | trans | -79.3 | -14.1 | -170.6 | 73.7 | -79.6 | 4.6 | 0 | 0 | 114.9 | Y1540 L1543 | Y1540-Q1545 PolarHBondContact O-N 3.26Å; L1543-Q1545 HydrophobicContact CB-CB 4.44Å; L1543-Q1545 PolarHBondContact O-N 3.04Å | ||
| 1546 | H | 77.5 | Confident | 76.7 | Confident | 85 Ų | 85 | 60.7 Ų | 60.7 | 39% | 0.394 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 139.9 | -176.8 | -56.5 | -62 | 0 | 0 | 0 | 111.6 | F1539 Y1540 | F1539-H1546 CarbonylContact C-O 3.49Å; F1539-H1546 WeakPolarHBondContact CA-O 3.46Å; Y1540-H1546 HydrophobicContact CD1-CB 3.7Å; Y1540-H1546 HydrophobicContact CE1-CB 3.33Å; Y1540-H1546 HydrophobicContact CE2-CB 4.29Å; Y1540-H1546 HydrophobicContact CG-CB 4.32Å; Y1540-H1546 PolarHBondContact N-O 2.03Å; Y1540-H1546 PolarHBondContact O-N 3.41Å |
| 1547 | T | 81.8 | Confident | 76.8 | Confident | 97 Ų | 97 | 54.1 Ų | 54.1 | 60% | 0.595 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 149.3 | 166.1 | 46.4 | 0 | 0 | 0 | 0 | 111 | G1538 F1539 Y1540 | G1538-T1547 CarbonylContact O-C 3.49Å; G1538-T1547 VanDerWaalsContact O-CA 3.29Å; G1538-T1547 WeakPolarHBondContact O-CA 3.39Å; F1539-T1547 HydrophobicContact CD1-CG2 4Å; F1539-T1547 HydrophobicContact CE1-CG2 3.63Å; F1539-T1547 HydrophobicContact CZ-CG2 4.37Å; Y1540-T1547 VanDerWaalsContact CE1-O 3.27Å; Y1540-T1547 WeakPolarHBondContact CE1-O 3.39Å |
| 1548 | C | 76.8 | Confident | 76.6 | Confident | 15 Ų | 15 | 55 Ų | 55 | 10% | 0.101 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -52.4 | 141.1 | -176.5 | -64.2 | 0 | 0 | 0 | 0 | 114.1 | G1538 R1552 C1557 P1573 | G1538-C1548 WeakPolarHBondContact CA-SG 3.17Å; G1538-C1548 PolarHBondContact O-N 2.99Å; C1548-R1552 VanDerWaalsContact CB-O 3.32Å; C1548-R1552 WeakPolarHBondContact CB-O 3.48Å; C1548-C1557 WeakPolarHBondContact CA-SG 3.41Å; C1548-C1557 HydrophobicContact CB-CB 3.79Å; C1548-C1557 WeakPolarHBondContact CB-SG 3.41Å; C1548-C1557 VanDerWaalsContact SG-CA 3.6Å; C1548-C1557 WeakPolarHBondContact SG-CB 3.4Å; C1548-C1557 CovalentContact SG-SG 2.03Å; C1548-C1557 PolarHBondContact SG-SG 2.75Å; C1548-P1573 HydrophobicContact CB-CB 3.89Å |
| 1549 | P | 74.3 | Confident | 76.5 | Confident | 48 Ų | 48 | 57.2 Ų | 57.2 | 31% | 0.312 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 155.5 | 170.4 | -19.3 | 32.7 | 0 | 0 | 0 | 111.5 | Y1540 G1551 R1552 | Y1540-P1549 HydrophobicContact CE1-CG 4.07Å; P1549-G1551 PolarHBondContact O-N 2.77Å; P1549-R1552 PolarHBondContact O-N 2.99Å; P1549-R1552 VanDerWaalsContact O-N 3.1Å |
| 1550 | P | 73 | Confident | 76.3 | Confident | 105 Ų | 105 | 60 Ų | 60 | 68% | 0.682 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | 137 | 171.2 | -26 | 34.9 | 0 | 0 | 0 | 111.7 | R1552 | P1550-R1552 VanDerWaalsContact C-N 3.35Š|
| 1551 | G | 72.1 | Confident | 75.8 | Confident | 24 Ų | 24 | 56.8 Ų | 56.8 | 25% | 0.247 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 11.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | P1549 V1560 C1561 | P1549-G1551 PolarHBondContact O-N 2.77Å; G1551-V1560 WeakPolarHBondContact O-CA 3.41Å; G1551-C1561 VanDerWaalsContact C-SG 3.54Å; G1551-C1561 PolarHBondContact O-N 3.27Å |
| 1552 | R | 83.4 | Confident | 76.2 | Confident | 102 Ų | 102 | 60.1 Ų | 60.1 | 39% | 0.385 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 147.8 | 172.2 | -72.6 | -177.6 | 166.4 | -79.7 | -7 | 112.8 | C1548 P1549 P1550 C1557 A1558 S1559 | C1548-R1552 VanDerWaalsContact CB-O 3.32Å; C1548-R1552 WeakPolarHBondContact CB-O 3.48Å; P1549-R1552 PolarHBondContact O-N 2.99Å; P1549-R1552 VanDerWaalsContact O-N 3.1Å; P1550-R1552 VanDerWaalsContact C-N 3.35Å; R1552-C1557 HydrophobicContact CB-CB 4.16Å; R1552-C1557 PolarHBondContact NH1-O 2.88Å; R1552-A1558 PolarHBondContact NH1-O 2.94Å; R1552-A1558 VanDerWaalsContact NH1-O 3.17Å; R1552-S1559 CarbonylContact C-O 3.52Å; R1552-S1559 VanDerWaalsContact CA-O 3.3Å; R1552-S1559 WeakPolarHBondContact CA-O 3.23Å |
| 1553 | W | 85.2 | Confident | 76.8 | Confident | 83 Ų | 83 | 56.3 Ų | 56.3 | 31% | 0.314 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 175 | -176.2 | 72.5 | -77.4 | 0 | 0 | 0 | 113.9 | C1557 S1559 V1560 P1573 T1575 G1576 | W1553-C1557 CarbonylContact O-C 3.59Å; W1553-C1557 WeakPolarHBondContact O-CA 3.04Å; W1553-S1559 VanDerWaalsContact CD1-CB 3.49Å; W1553-S1559 PolarHBondContact N-O 2.91Å; W1553-S1559 PolarHBondContact O-N 3.09Å; W1553-V1560 PolarHBondContact NE1-O 3.4Å; W1553-V1560 VanDerWaalsContact NE1-O 3.11Å; W1553-P1573 VanDerWaalsContact CA-O 3.28Å; W1553-P1573 WeakPolarHBondContact CA-O 3.02Å; W1553-T1575 VanDerWaalsContact CE3-C 3.44Å; W1553-G1576 VanDerWaalsContact CE3-N 3.29Å; W1553-G1576 VanDerWaalsContact CG-CA 3.42Å |
| 1554 | G | 74.6 | Confident | 76.4 | Confident | 7 Ų | 7 | 59 Ų | 59 | 7% | 0.072 | 34% | 0.343 | C | S | . | . | S | Bend | trans | 84.7 | -164.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114 | P1537 G1538 G1556 C1557 P1573 | P1537-G1554 WeakPolarHBondContact CA-O 3.35Å; G1538-G1554 PolarHBondContact N-O 2.93Å; G1554-G1556 PolarHBondContact O-N 3.13Å; G1554-C1557 PolarHBondContact O-N 2.88Å; G1554-P1573 PolarHBondContact N-O 3.07Å; G1554-P1573 VanDerWaalsContact N-O 3.09Å |
| 1555 | V | 75.8 | Confident | 76 | Confident | 97 Ų | 97 | 61.8 Ų | 61.8 | 59% | 0.588 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -69.1 | 125.2 | 179.1 | 175.2 | 0 | 0 | 0 | 0 | 109.4 | P1537 C1557 A1558 | P1537-V1555 HydrophobicContact CG-CG2 3.99Å; V1555-C1557 PolarHBondContact O-N 3.32Å; V1555-C1557 VanDerWaalsContact O-N 3.08Å; V1555-A1558 PolarHBondContact O-N 2.73Å |
| 1556 | G | 72.3 | Confident | 75.4 | Confident | 38 Ų | 38 | 60.6 Ų | 60.6 | 39% | 0.392 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | 63.8 | 11.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | F1539 G1554 A1558 | F1539-G1556 VanDerWaalsContact O-CA 3.32Å; F1539-G1556 WeakPolarHBondContact O-CA 3.32Å; F1539-G1556 PolarHBondContact O-N 3.18Å; G1554-G1556 PolarHBondContact O-N 3.13Å; G1556-A1558 PolarHBondContact O-N 2.87Å |
| 1557 | C | 79.7 | Confident | 74.8 | Confident | 5 Ų | 5 | 58.8 Ų | 58.8 | 3% | 0.034 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | 59.1 | 28.3 | -176.2 | -44.9 | 0 | 0 | 0 | 0 | 114 | C1548 R1552 W1553 G1554 V1555 | C1548-C1557 WeakPolarHBondContact CA-SG 3.41Å; C1548-C1557 HydrophobicContact CB-CB 3.79Å; C1548-C1557 WeakPolarHBondContact CB-SG 3.41Å; C1548-C1557 VanDerWaalsContact SG-CA 3.6Å; C1548-C1557 WeakPolarHBondContact SG-CB 3.4Å; C1548-C1557 CovalentContact SG-SG 2.03Å; C1548-C1557 PolarHBondContact SG-SG 2.75Å; R1552-C1557 HydrophobicContact CB-CB 4.16Å; R1552-C1557 PolarHBondContact NH1-O 2.88Å; W1553-C1557 CarbonylContact O-C 3.59Å; W1553-C1557 WeakPolarHBondContact O-CA 3.04Å; G1554-C1557 PolarHBondContact O-N 2.88Å; V1555-C1557 PolarHBondContact O-N 3.32Å; V1555-C1557 VanDerWaalsContact O-N 3.08Å |
| 1558 | A | 71.9 | Confident | 73.8 | Confident | 78 Ų | 78 | 60.1 Ų | 60.1 | 65% | 0.645 | 36% | 0.358 | S | S | * | . | trans | -64.1 | -41.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R1552 V1555 G1556 | R1552-A1558 PolarHBondContact NH1-O 2.94Å; R1552-A1558 VanDerWaalsContact NH1-O 3.17Å; V1555-A1558 PolarHBondContact O-N 2.73Å; G1556-A1558 PolarHBondContact O-N 2.87Å | ||
| 1559 | S | 73.5 | Confident | 72.8 | Confident | 49 Ų | 49 | 62 Ų | 62 | 34% | 0.343 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 137.2 | -179 | -53.2 | 0 | 0 | 0 | 0 | 111.6 | R1552 W1553 | R1552-S1559 CarbonylContact C-O 3.52Å; R1552-S1559 VanDerWaalsContact CA-O 3.3Å; R1552-S1559 WeakPolarHBondContact CA-O 3.23Å; W1553-S1559 VanDerWaalsContact CD1-CB 3.49Å; W1553-S1559 PolarHBondContact N-O 2.91Å; W1553-S1559 PolarHBondContact O-N 3.09Å |
| 1560 | V | 77.6 | Confident | 72.4 | Confident | 92 Ų | 92 | 60.2 Ų | 60.2 | 56% | 0.558 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 150.8 | 167 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | G1551 W1553 | G1551-V1560 WeakPolarHBondContact O-CA 3.41Å; W1553-V1560 PolarHBondContact NE1-O 3.4Å; W1553-V1560 VanDerWaalsContact NE1-O 3.11Å |
| 1561 | C | 73.2 | Confident | 72.7 | Confident | 21 Ų | 21 | 55.6 Ų | 55.6 | 14% | 0.142 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -87.2 | 129.3 | 176.9 | -62.4 | 0 | 0 | 0 | 0 | 111.2 | G1551 C1571 | G1551-C1561 VanDerWaalsContact C-SG 3.54Å; G1551-C1561 PolarHBondContact O-N 3.27Å; C1561-C1571 HydrophobicContact CB-CB 3.53Å; C1561-C1571 WeakPolarHBondContact CB-SG 3.36Å; C1561-C1571 WeakPolarHBondContact SG-CB 3.29Å; C1561-C1571 CovalentContact SG-SG 2.01Å; C1561-C1571 PolarHBondContact SG-SG 3.37Å |
| 1562 | D | 77.5 | Confident | 72.9 | Confident | 92 Ų | 92 | 56.7 Ų | 56.7 | 49% | 0.492 | 33% | 0.332 | S | S | . | . | trans | -108.5 | 72.5 | -172 | -177.7 | 13.5 | 0 | 0 | 0 | 110.4 | R1588 | D1562-R1588 WeakPolarHBondContact O-CB 3.34Å; D1562-R1588 WeakPolarHBondContact O-CG 3.48Å; D1562-R1588 IonicContact OD1-CZ 3.85Å; D1562-R1588 IonicContact OD1-NE 2.66Å; D1562-R1588 PolarHBondContact OD1-NE 3Å; D1562-R1588 IonicContact OD1-NH2 2.62Å; D1562-R1588 PolarHBondContact OD1-NH2 2.65Å; D1562-R1588 IonicContact OD2-CZ 3.41Å; D1562-R1588 IonicContact OD2-NE 2.88Å; D1562-R1588 PolarHBondContact OD2-NE 3Å; D1562-R1588 VanDerWaalsContact OD2-NE 3.15Å; D1562-R1588 IonicContact OD2-NH2 3.71Å; D1562-R1588 PolarHBondContact OD2-NH2 3.14Å | ||
| 1563 | C | 77.4 | Confident | 72.4 | Confident | 28 Ų | 28 | 54.3 Ų | 54.3 | 19% | 0.189 | 33% | 0.329 | C | S | . | . | trans | -122.4 | 124.1 | -170.7 | -51.5 | 0 | 0 | 0 | 0 | 111.7 | G1570 C1578 R1588 | C1563-G1570 PolarHBondContact SG-O 2.88Å; C1563-C1578 VanDerWaalsContact CA-SG 3.51Å; C1563-C1578 HydrophobicContact CB-CB 3.73Å; C1563-C1578 WeakPolarHBondContact CB-SG 3.49Å; C1563-C1578 VanDerWaalsContact SG-CA 3.54Å; C1563-C1578 WeakPolarHBondContact SG-CB 3.26Å; C1563-C1578 CovalentContact SG-SG 2.03Å; C1563-C1578 PolarHBondContact SG-SG 3.11Å; C1563-R1588 CarbonylContact C-O 3.47Å | ||
| 1564 | Y | 68.8 | Low | 72.1 | Confident | 118 Ų | 118 | 56.3 Ų | 56.3 | 46% | 0.463 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -81.3 | 163.2 | 161.6 | -58.3 | -73.4 | 0 | 0 | 0 | 109.9 | S1566 R1588 C1589 E1590 | Y1564-S1566 PolarHBondContact O-N 3.37Å; Y1564-R1588 HydrophobicContact CD2-CB 4.17Å; Y1564-R1588 PolarHBondContact N-O 3.08Å; Y1564-R1588 PolarHBondContact OH-NH2 3.47Å; Y1564-R1588 VanDerWaalsContact OH-NH2 3.16Å; Y1564-C1589 VanDerWaalsContact O-CB 3.24Å; Y1564-C1589 WeakPolarHBondContact O-CB 3.32Å; Y1564-E1590 HydrophobicContact CD2-CB 4.06Å |
| 1565 | N | 70.8 | Confident | 72.3 | Confident | 59 Ų | 59 | 60.2 Ų | 60.2 | 32% | 0.316 | 36% | 0.363 | S | S | . | . | S | Bend | trans | 41.8 | 30.8 | 168.7 | -52.7 | -50.7 | 0 | 0 | 0 | 116.9 | K1581 Y1584 C1589 | N1565-K1581 VanDerWaalsContact O-CB 3.27Å; N1565-K1581 WeakPolarHBondContact O-CB 3.48Å; N1565-K1581 WeakPolarHBondContact O-CD 3.19Å; N1565-K1581 WeakPolarHBondContact O-CG 3.1Å; N1565-K1581 PolarHBondContact O-N 3.37Å; N1565-Y1584 HydrophobicContact CB-CD1 3.59Å; N1565-Y1584 HydrophobicContact CB-CD2 3.91Å; N1565-Y1584 HydrophobicContact CB-CE1 3.83Å; N1565-Y1584 HydrophobicContact CB-CE2 4.15Å; N1565-Y1584 HydrophobicContact CB-CG 3.62Å; N1565-Y1584 VanDerWaalsContact CG-CE1 3.42Å; N1565-Y1584 WeakPolarHBondContact ND2-CD1 3.35Å; N1565-Y1584 WeakPolarHBondContact ND2-CE1 3.31Å; N1565-C1589 PolarHBondContact ND2-O 3.39Å |
| 1566 | S | 66.5 | Low | 72.1 | Confident | 29 Ų | 29 | 56 Ų | 56 | 20% | 0.203 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 162.7 | -171.9 | 67.4 | 0 | 0 | 0 | 0 | 112.5 | Y1564 R1579 K1581 | Y1564-S1566 PolarHBondContact O-N 3.37Å; S1566-R1579 CarbonylContact C-O 3.51Å; S1566-R1579 VanDerWaalsContact CA-O 3.24Å; S1566-R1579 WeakPolarHBondContact CA-O 3.33Å; S1566-R1579 WeakPolarHBondContact CB-O 3.5Å; S1566-K1581 WeakPolarHBondContact O-CE 3.14Å |
| 1567 | Q | 65.6 | Low | 72.5 | Confident | 48 Ų | 48 | 61.2 Ų | 61.2 | 22% | 0.224 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 162.5 | 167.7 | -64 | -178.4 | 23.8 | 0 | 0 | 110.8 | S1569 G1570 R1579 C1580 E1600 | Q1567-S1569 PolarHBondContact O-N 3.28Å; Q1567-G1570 PolarHBondContact O-N 3.48Å; Q1567-R1579 HydrophobicContact CB-CB 4.47Å; Q1567-R1579 PolarHBondContact N-O 3.43Å; Q1567-C1580 WeakPolarHBondContact CG-O 3.24Å; Q1567-C1580 PolarHBondContact NE2-O 3.37Å; Q1567-E1600 PolarHBondContact NE2-OE1 2.87Å |
| 1568 | P | 60 | Low | 72.4 | Confident | 125 Ų | 125 | 61.5 Ų | 61.5 | 81% | 0.812 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.3 | -12.7 | -173.5 | -26.4 | 36.3 | 0 | 0 | 0 | 116.6 | ||
| 1569 | S | 55.1 | Low | 72.6 | Confident | 53 Ų | 53 | 63.7 Ų | 63.7 | 37% | 0.371 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | -13.7 | 172 | 45.4 | 0 | 0 | 0 | 0 | 113.9 | Q1567 C1571 | Q1567-S1569 PolarHBondContact O-N 3.28Å; S1569-C1571 PolarHBondContact O-N 3.48Å |
| 1570 | G | 66.5 | Low | 72.8 | Confident | 11 Ų | 11 | 61.6 Ų | 61.6 | 11% | 0.113 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.2 | -65.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | C1563 Q1567 R1579 | C1563-G1570 PolarHBondContact SG-O 2.88Å; Q1567-G1570 PolarHBondContact O-N 3.48Å; G1570-R1579 PolarHBondContact O-N 2.69Å |
| 1571 | C | 78.3 | Confident | 72.8 | Confident | 9 Ų | 9 | 61.5 Ų | 61.5 | 6% | 0.061 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 169.8 | -160.2 | 50.7 | 0 | 0 | 0 | 0 | 112.8 | C1561 S1569 G1576 R1577 | C1561-C1571 HydrophobicContact CB-CB 3.53Å; C1561-C1571 WeakPolarHBondContact CB-SG 3.36Å; C1561-C1571 WeakPolarHBondContact SG-CB 3.29Å; C1561-C1571 CovalentContact SG-SG 2.01Å; C1561-C1571 PolarHBondContact SG-SG 3.37Å; S1569-C1571 PolarHBondContact O-N 3.48Å; C1571-G1576 WeakPolarHBondContact CB-O 3.43Å; C1571-R1577 CarbonylContact C-O 3.49Å; C1571-R1577 WeakPolarHBondContact CA-O 3.44Å |
| 1572 | D | 78.2 | Confident | 73.1 | Confident | 47 Ų | 47 | 63.4 Ų | 63.4 | 25% | 0.251 | 33% | 0.33 | S | S | . | . | trans | -77.3 | 124.7 | 164.3 | -176.4 | -82.7 | 0 | 0 | 0 | 111.4 | K1574 T1575 G1576 R1577 | D1572-K1574 PolarHBondContact O-N 2.84Å; D1572-K1574 WeakPolarHBondContact OD1-CA 3.46Å; D1572-K1574 WeakPolarHBondContact OD1-CB 3.48Å; D1572-K1574 PolarHBondContact OD1-N 2.83Å; D1572-T1575 WeakPolarHBondContact CB-OG1 3.35Å; D1572-T1575 PolarHBondContact O-N 2.71Å; D1572-T1575 PolarHBondContact OD1-N 3.43Å; D1572-T1575 PolarHBondContact OD1-OG1 2.04Å; D1572-G1576 WeakPolarHBondContact O-CA 3.4Å; D1572-G1576 PolarHBondContact O-N 3.07Å; D1572-R1577 PolarHBondContact N-O 2.82Å | ||
| 1573 | P | 72.1 | Confident | 73.1 | Confident | 52 Ų | 52 | 59 Ų | 59 | 34% | 0.338 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -13.1 | -174.3 | 27.7 | -35.3 | 0 | 0 | 0 | 114.3 | G1538 C1548 W1553 G1554 | G1538-P1573 VanDerWaalsContact CA-O 3.24Å; G1538-P1573 WeakPolarHBondContact CA-O 3.41Å; G1538-P1573 PolarHBondContact N-O 2.83Å; C1548-P1573 HydrophobicContact CB-CB 3.89Å; W1553-P1573 VanDerWaalsContact CA-O 3.28Å; W1553-P1573 WeakPolarHBondContact CA-O 3.02Å; G1554-P1573 PolarHBondContact N-O 3.07Å; G1554-P1573 VanDerWaalsContact N-O 3.09Å |
| 1574 | K | 77.8 | Confident | 73.4 | Confident | 125 Ų | 125 | 59.3 Ų | 59.3 | 54% | 0.543 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -41.6 | 175 | -70.4 | 179 | 175.1 | 169.5 | 0 | 112.3 | P1537 D1572 | P1537-K1574 HydrophobicContact CB-CB 4.35Å; P1537-K1574 HydrophobicContact CB-CG 4.45Å; P1537-K1574 WeakPolarHBondContact O-CG 3.49Å; D1572-K1574 PolarHBondContact O-N 2.84Å; D1572-K1574 WeakPolarHBondContact OD1-CA 3.46Å; D1572-K1574 WeakPolarHBondContact OD1-CB 3.48Å; D1572-K1574 PolarHBondContact OD1-N 2.83Å |
| 1575 | T | 79.2 | Confident | 74 | Confident | 88 Ų | 88 | 55.4 Ų | 55.4 | 54% | 0.54 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | -7.6 | -167.6 | 62.8 | 0 | 0 | 0 | 0 | 114.5 | W1553 D1572 R1577 | W1553-T1575 VanDerWaalsContact CE3-C 3.44Å; D1572-T1575 WeakPolarHBondContact CB-OG1 3.35Å; D1572-T1575 PolarHBondContact O-N 2.71Å; D1572-T1575 PolarHBondContact OD1-N 3.43Å; D1572-T1575 PolarHBondContact OD1-OG1 2.04Å; T1575-R1577 PolarHBondContact O-N 2.81Å; T1575-R1577 VanDerWaalsContact O-N 3.07Å |
| 1576 | G | 72.9 | Confident | 74.2 | Confident | 10 Ų | 10 | 53.8 Ų | 53.8 | 10% | 0.103 | 29% | 0.289 | C | S | . | . | trans | 77 | -18.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | W1553 C1571 D1572 C1578 | W1553-G1576 VanDerWaalsContact CE3-N 3.29Å; W1553-G1576 VanDerWaalsContact CG-CA 3.42Å; C1571-G1576 WeakPolarHBondContact CB-O 3.43Å; D1572-G1576 WeakPolarHBondContact O-CA 3.4Å; D1572-G1576 PolarHBondContact O-N 3.07Å; G1576-C1578 PolarHBondContact O-N 3.47Å | ||
| 1577 | R | 79.3 | Confident | 74.4 | Confident | 147 Ų | 147 | 59 Ų | 59 | 56% | 0.555 | 31% | 0.311 | S | S | * | . | trans | -51.9 | 125.2 | -175.9 | -172.6 | 173.6 | -176.1 | 163.4 | 4.7 | 111.7 | C1571 D1572 T1575 | C1571-R1577 CarbonylContact C-O 3.49Å; C1571-R1577 WeakPolarHBondContact CA-O 3.44Å; D1572-R1577 PolarHBondContact N-O 2.82Å; T1575-R1577 PolarHBondContact O-N 2.81Å; T1575-R1577 VanDerWaalsContact O-N 3.07Å | ||
| 1578 | C | 77.7 | Confident | 75 | Confident | 10 Ų | 10 | 60.8 Ų | 60.8 | 7% | 0.068 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 152.5 | -178.7 | -61.3 | 0 | 0 | 0 | 0 | 112.2 | C1563 G1576 E1587 C1589 | C1563-C1578 VanDerWaalsContact CA-SG 3.51Å; C1563-C1578 HydrophobicContact CB-CB 3.73Å; C1563-C1578 WeakPolarHBondContact CB-SG 3.49Å; C1563-C1578 VanDerWaalsContact SG-CA 3.54Å; C1563-C1578 WeakPolarHBondContact SG-CB 3.26Å; C1563-C1578 CovalentContact SG-SG 2.03Å; C1563-C1578 PolarHBondContact SG-SG 3.11Å; G1576-C1578 PolarHBondContact O-N 3.47Å; C1578-E1587 WeakPolarHBondContact CB-O 3.23Å; C1578-E1587 PolarHBondContact SG-O 2.97Å; C1578-E1587 VanDerWaalsContact SG-O 3.41Å; C1578-C1589 VanDerWaalsContact CB-SG 3.58Å |
| 1579 | R | 77 | Confident | 76.1 | Confident | 125 Ų | 125 | 54.8 Ų | 54.8 | 47% | 0.472 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 105.8 | 171.5 | -69.9 | -170.6 | 179.7 | -149.9 | 1.7 | 109.8 | S1566 Q1567 G1570 | S1566-R1579 CarbonylContact C-O 3.51Å; S1566-R1579 VanDerWaalsContact CA-O 3.24Å; S1566-R1579 WeakPolarHBondContact CA-O 3.33Å; S1566-R1579 WeakPolarHBondContact CB-O 3.5Å; Q1567-R1579 HydrophobicContact CB-CB 4.47Å; Q1567-R1579 PolarHBondContact N-O 3.43Å; G1570-R1579 PolarHBondContact O-N 2.69Å |
| 1580 | C | 78.5 | Confident | 77.2 | Confident | 4 Ų | 4 | 56.2 Ų | 56.2 | 3% | 0.027 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 147.1 | -172.9 | -47.6 | 0 | 0 | 0 | 0 | 112.1 | Q1567 Y1584 C1589 | Q1567-C1580 WeakPolarHBondContact CG-O 3.24Å; Q1567-C1580 PolarHBondContact NE2-O 3.37Å; C1580-Y1584 VanDerWaalsContact CB-O 3.26Å; C1580-Y1584 WeakPolarHBondContact CB-O 3.36Å; C1580-C1589 WeakPolarHBondContact CA-SG 3.19Å; C1580-C1589 HydrophobicContact CB-CB 3.67Å; C1580-C1589 WeakPolarHBondContact CB-SG 3.44Å; C1580-C1589 PolarHBondContact N-SG 2.83Å; C1580-C1589 WeakPolarHBondContact SG-CB 3.42Å; C1580-C1589 CovalentContact SG-SG 2.04Å; C1580-C1589 PolarHBondContact SG-SG 3.18Å |
| 1581 | K | 76.7 | Confident | 77.7 | Confident | 90 Ų | 90 | 61 Ų | 61 | 39% | 0.391 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 159.3 | 160.2 | -73 | 167.4 | -169.9 | 176.6 | 0 | 109.7 | N1565 S1566 G1583 Y1584 | N1565-K1581 VanDerWaalsContact O-CB 3.27Å; N1565-K1581 WeakPolarHBondContact O-CB 3.48Å; N1565-K1581 WeakPolarHBondContact O-CD 3.19Å; N1565-K1581 WeakPolarHBondContact O-CG 3.1Å; N1565-K1581 PolarHBondContact O-N 3.37Å; S1566-K1581 WeakPolarHBondContact O-CE 3.14Å; K1581-G1583 PolarHBondContact O-N 3.18Å; K1581-Y1584 HydrophobicContact CB-CD2 3.86Å; K1581-Y1584 HydrophobicContact CB-CE2 4.34Å; K1581-Y1584 PolarHBondContact O-N 3.16Å |
| 1582 | P | 78.8 | Confident | 77.8 | Confident | 61 Ų | 61 | 64.4 Ų | 64.4 | 40% | 0.396 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | 141.1 | 163.5 | -24.9 | 35 | 0 | 0 | 0 | 110.8 | Y1584 G1599 E1615 | P1582-Y1584 VanDerWaalsContact O-CD2 3.31Å; P1582-Y1584 WeakPolarHBondContact O-CD2 3.02Å; P1582-G1599 WeakPolarHBondContact CA-O 3.37Å; P1582-E1615 WeakPolarHBondContact O-CG 3.45Å |
| 1583 | G | 78.4 | Confident | 77.9 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.8 | -1.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | K1581 C1593 G1599 F1614 | K1581-G1583 PolarHBondContact O-N 3.18Å; G1583-C1593 WeakPolarHBondContact CA-SG 3.31Å; G1583-C1593 PolarHBondContact O-N 2.86Å; G1583-C1593 PolarHBondContact O-SG 3.12Å; G1583-C1593 VanDerWaalsContact O-SG 3.37Å; G1583-G1599 PolarHBondContact N-O 2.78Å; G1583-F1614 WeakPolarHBondContact CA-O 3.49Å |
| 1584 | Y | 84.2 | Confident | 78.1 | Confident | 34 Ų | 34 | 63.9 Ų | 63.9 | 13% | 0.133 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 150.5 | -179.5 | -59.6 | -89.3 | 0 | 0 | 0 | 112.9 | N1565 C1580 K1581 P1582 E1591 V1592 F1614 | N1565-Y1584 HydrophobicContact CB-CD1 3.59Å; N1565-Y1584 HydrophobicContact CB-CD2 3.91Å; N1565-Y1584 HydrophobicContact CB-CE1 3.83Å; N1565-Y1584 HydrophobicContact CB-CE2 4.15Å; N1565-Y1584 HydrophobicContact CB-CG 3.62Å; N1565-Y1584 VanDerWaalsContact CG-CE1 3.42Å; N1565-Y1584 WeakPolarHBondContact ND2-CD1 3.35Å; N1565-Y1584 WeakPolarHBondContact ND2-CE1 3.31Å; C1580-Y1584 VanDerWaalsContact CB-O 3.26Å; C1580-Y1584 WeakPolarHBondContact CB-O 3.36Å; K1581-Y1584 HydrophobicContact CB-CD2 3.86Å; K1581-Y1584 HydrophobicContact CB-CE2 4.34Å; K1581-Y1584 PolarHBondContact O-N 3.16Å; P1582-Y1584 VanDerWaalsContact O-CD2 3.31Å; P1582-Y1584 WeakPolarHBondContact O-CD2 3.02Å; Y1584-E1591 CarbonylContact C-O 3.37Å; Y1584-E1591 VanDerWaalsContact CA-O 3.24Å; Y1584-E1591 WeakPolarHBondContact CA-O 3.46Å; Y1584-V1592 HydrophobicContact CD1-CG2 4.35Å; Y1584-V1592 HydrophobicContact CE1-CG2 4.08Å; Y1584-F1614 HydrophobicContact CE2-CE2 4.31Å |
| 1585 | T | 81 | Confident | 78.1 | Confident | 36 Ų | 36 | 67.6 Ų | 67.6 | 22% | 0.221 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | -178.1 | 179.7 | -173.6 | 0 | 0 | 0 | 0 | 110.5 | C1589 E1590 E1591 | T1585-C1589 CarbonylContact O-C 3.51Å; T1585-C1589 VanDerWaalsContact O-C 3.31Å; T1585-C1589 WeakPolarHBondContact O-CA 3.26Å; T1585-E1590 PolarHBondContact O-N 2.03Å; T1585-E1591 HydrophobicContact CG2-CB 3.78Å; T1585-E1591 PolarHBondContact N-O 2.03Å; T1585-E1591 WeakPolarHBondContact O-CA 3.42Å; T1585-E1591 WeakPolarHBondContact O-CB 3.41Å; T1585-E1591 PolarHBondContact O-N 3.26Å |
| 1586 | G | 73.8 | Confident | 78.1 | Confident | 25 Ų | 25 | 64.4 Ų | 64.4 | 26% | 0.258 | 31% | 0.311 | S | S | . | . | S | Bend | trans | 98.4 | 163.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113 | R1588 C1589 E1590 | G1586-R1588 VanDerWaalsContact C-N 3.31Å; G1586-R1588 PolarHBondContact O-N 2.03Å; G1586-C1589 PolarHBondContact O-N 3Å; G1586-E1590 VanDerWaalsContact C-OE2 3.23Å; G1586-E1590 VanDerWaalsContact CA-OE2 3.3Å; G1586-E1590 WeakPolarHBondContact CA-OE2 3.05Å |
| 1587 | E | 71.4 | Confident | 78.6 | Confident | 138 Ų | 138 | 69.5 Ų | 69.5 | 65% | 0.645 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -33.2 | -177.2 | -80.9 | -76 | 109.3 | 0 | 0 | 112.5 | C1578 E1590 | C1578-E1587 WeakPolarHBondContact CB-O 3.23Å; C1578-E1587 PolarHBondContact SG-O 2.97Å; C1578-E1587 VanDerWaalsContact SG-O 3.41Å; E1587-E1590 PolarHBondContact N-OE2 3.37Å |
| 1588 | R | 78.7 | Confident | 78.9 | Confident | 86 Ų | 86 | 64.3 Ų | 64.3 | 33% | 0.325 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 8.8 | 175 | -52.9 | 166.8 | 69.1 | -176.4 | 7.3 | 111.9 | D1562 C1563 Y1564 G1586 E1590 | D1562-R1588 WeakPolarHBondContact O-CB 3.34Å; D1562-R1588 WeakPolarHBondContact O-CG 3.48Å; D1562-R1588 IonicContact OD1-CZ 3.85Å; D1562-R1588 IonicContact OD1-NE 2.66Å; D1562-R1588 PolarHBondContact OD1-NE 3Å; D1562-R1588 IonicContact OD1-NH2 2.62Å; D1562-R1588 PolarHBondContact OD1-NH2 2.65Å; D1562-R1588 IonicContact OD2-CZ 3.41Å; D1562-R1588 IonicContact OD2-NE 2.88Å; D1562-R1588 PolarHBondContact OD2-NE 3Å; D1562-R1588 VanDerWaalsContact OD2-NE 3.15Å; D1562-R1588 IonicContact OD2-NH2 3.71Å; D1562-R1588 PolarHBondContact OD2-NH2 3.14Å; C1563-R1588 CarbonylContact C-O 3.47Å; Y1564-R1588 HydrophobicContact CD2-CB 4.17Å; Y1564-R1588 PolarHBondContact N-O 3.08Å; Y1564-R1588 PolarHBondContact OH-NH2 3.47Å; Y1564-R1588 VanDerWaalsContact OH-NH2 3.16Å; G1586-R1588 VanDerWaalsContact C-N 3.31Å; G1586-R1588 PolarHBondContact O-N 2.03Å; R1588-E1590 WeakPolarHBondContact CA-OE2 3.01Å; R1588-E1590 VanDerWaalsContact CB-OE1 3.31Å; R1588-E1590 WeakPolarHBondContact CB-OE1 3.25Å; R1588-E1590 WeakPolarHBondContact CG-OE1 3.02Å; R1588-E1590 PolarHBondContact N-OE1 2.95Å; R1588-E1590 PolarHBondContact N-OE2 3.19Å; R1588-E1590 PolarHBondContact O-N 3.08Å |
| 1589 | C | 82.2 | Confident | 78.6 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.309 | C | S | . | . | S | Bend | trans | 57.1 | 36.5 | -172.4 | -55.5 | 0 | 0 | 0 | 0 | 113.1 | Y1564 N1565 C1578 C1580 T1585 G1586 | Y1564-C1589 VanDerWaalsContact O-CB 3.24Å; Y1564-C1589 WeakPolarHBondContact O-CB 3.32Å; N1565-C1589 PolarHBondContact ND2-O 3.39Å; C1578-C1589 VanDerWaalsContact CB-SG 3.58Å; C1580-C1589 WeakPolarHBondContact CA-SG 3.19Å; C1580-C1589 HydrophobicContact CB-CB 3.67Å; C1580-C1589 WeakPolarHBondContact CB-SG 3.44Å; C1580-C1589 PolarHBondContact N-SG 2.83Å; C1580-C1589 WeakPolarHBondContact SG-CB 3.42Å; C1580-C1589 CovalentContact SG-SG 2.04Å; C1580-C1589 PolarHBondContact SG-SG 3.18Å; T1585-C1589 CarbonylContact O-C 3.51Å; T1585-C1589 VanDerWaalsContact O-C 3.31Å; T1585-C1589 WeakPolarHBondContact O-CA 3.26Å; G1586-C1589 PolarHBondContact O-N 3Å |
| 1590 | E | 77.8 | Confident | 78.4 | Confident | 83 Ų | 83 | 63.1 Ų | 63.1 | 39% | 0.388 | 31% | 0.31 | S | S | . | . | trans | -83.6 | -23.7 | -179.4 | 62.7 | -86.4 | -103 | 0 | 0 | 113.7 | Y1564 T1585 G1586 E1587 R1588 | Y1564-E1590 HydrophobicContact CD2-CB 4.06Å; T1585-E1590 PolarHBondContact O-N 2.03Å; G1586-E1590 VanDerWaalsContact C-OE2 3.23Å; G1586-E1590 VanDerWaalsContact CA-OE2 3.3Å; G1586-E1590 WeakPolarHBondContact CA-OE2 3.05Å; E1587-E1590 PolarHBondContact N-OE2 3.37Å; R1588-E1590 WeakPolarHBondContact CA-OE2 3.01Å; R1588-E1590 VanDerWaalsContact CB-OE1 3.31Å; R1588-E1590 WeakPolarHBondContact CB-OE1 3.25Å; R1588-E1590 WeakPolarHBondContact CG-OE1 3.02Å; R1588-E1590 PolarHBondContact N-OE1 2.95Å; R1588-E1590 PolarHBondContact N-OE2 3.19Å; R1588-E1590 PolarHBondContact O-N 3.08Å | ||
| 1591 | E | 76.9 | Confident | 78.2 | Confident | 112 Ų | 112 | 67.1 Ų | 67.1 | 52% | 0.523 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 140.8 | -177.2 | -53.6 | -176.7 | 150 | 0 | 0 | 111.3 | Y1584 T1585 | Y1584-E1591 CarbonylContact C-O 3.37Å; Y1584-E1591 VanDerWaalsContact CA-O 3.24Å; Y1584-E1591 WeakPolarHBondContact CA-O 3.46Å; T1585-E1591 HydrophobicContact CG2-CB 3.78Å; T1585-E1591 PolarHBondContact N-O 2.03Å; T1585-E1591 WeakPolarHBondContact O-CA 3.42Å; T1585-E1591 WeakPolarHBondContact O-CB 3.41Å; T1585-E1591 PolarHBondContact O-N 3.26Å |
| 1592 | V | 81.3 | Confident | 78.5 | Confident | 79 Ų | 79 | 63.5 Ų | 63.5 | 48% | 0.479 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 148.5 | 167.7 | -174.8 | 0 | 0 | 0 | 0 | 108.6 | Y1584 F1614 | Y1584-V1592 HydrophobicContact CD1-CG2 4.35Å; Y1584-V1592 HydrophobicContact CE1-CG2 4.08Å; V1592-F1614 HydrophobicContact CG1-CB 3.92Å; V1592-F1614 HydrophobicContact CG1-CD1 4.08Å; V1592-F1614 HydrophobicContact CG1-CD2 3.69Å; V1592-F1614 HydrophobicContact CG1-CE2 4.26Å; V1592-F1614 HydrophobicContact CG1-CG 3.61Å |
| 1593 | C | 81.4 | Confident | 78.5 | Confident | 14 Ų | 14 | 64.7 Ų | 64.7 | 10% | 0.095 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -53.5 | 138.1 | -177.4 | -68.9 | 0 | 0 | 0 | 0 | 113.9 | G1583 Y1597 C1602 F1614 | G1583-C1593 WeakPolarHBondContact CA-SG 3.31Å; G1583-C1593 PolarHBondContact O-N 2.86Å; G1583-C1593 PolarHBondContact O-SG 3.12Å; G1583-C1593 VanDerWaalsContact O-SG 3.37Å; C1593-Y1597 WeakPolarHBondContact CB-O 3.46Å; C1593-C1602 WeakPolarHBondContact CA-SG 3.41Å; C1593-C1602 HydrophobicContact CB-CB 3.8Å; C1593-C1602 WeakPolarHBondContact CB-SG 2.99Å; C1593-C1602 WeakPolarHBondContact SG-CA 3.24Å; C1593-C1602 WeakPolarHBondContact SG-CB 3.08Å; C1593-C1602 CovalentContact SG-SG 2.03Å; C1593-C1602 PolarHBondContact SG-SG 3.29Å; C1593-F1614 HydrophobicContact CB-CB 4.12Å |
| 1594 | P | 75.6 | Confident | 78.6 | Confident | 74 Ų | 74 | 69.5 Ų | 69.5 | 48% | 0.481 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 153.6 | 175.9 | -24.9 | 33.9 | 0 | 0 | 0 | 112.6 | G1596 Y1597 | P1594-G1596 PolarHBondContact O-N 2.84Å; P1594-Y1597 HydrophobicContact CB-CD2 4.1Å; P1594-Y1597 PolarHBondContact O-N 2.79Å |
| 1595 | R | 77.9 | Confident | 78.4 | Confident | 203 Ų | 203 | 70.5 Ų | 70.5 | 77% | 0.766 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.3 | 126 | 171.6 | -88.1 | 178.4 | 152 | 164.9 | -8.1 | 110.4 | E1611 | R1595-E1611 IonicContact CZ-OE1 3.71Å; R1595-E1611 IonicContact NE-OE1 3.99Å; R1595-E1611 PolarHBondContact NE-OE1 3.45Å; R1595-E1611 IonicContact NH2-OE1 2.7Å; R1595-E1611 PolarHBondContact NH2-OE1 3.02Å |
| 1596 | G | 78 | Confident | 78.1 | Confident | 21 Ų | 21 | 69.8 Ų | 69.8 | 22% | 0.216 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.4 | 1.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | P1594 A1605 C1606 | P1594-G1596 PolarHBondContact O-N 2.84Å; G1596-A1605 CarbonylContact O-C 3.51Å; G1596-A1605 VanDerWaalsContact O-CA 3.31Å; G1596-A1605 WeakPolarHBondContact O-CA 3.32Å; G1596-C1606 VanDerWaalsContact CA-SG 3.54Å; G1596-C1606 PolarHBondContact O-N 2.93Å; G1596-C1606 PolarHBondContact O-SG 3.34Å |
| 1597 | Y | 85 | Confident | 77.8 | Confident | 117 Ų | 117 | 75.6 Ų | 75.6 | 46% | 0.459 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 152 | -177.3 | -63.5 | -94.3 | 0 | 0 | 0 | 114.1 | C1593 P1594 C1602 Q1604 A1605 | C1593-Y1597 WeakPolarHBondContact CB-O 3.46Å; P1594-Y1597 HydrophobicContact CB-CD2 4.1Å; P1594-Y1597 PolarHBondContact O-N 2.79Å; Y1597-C1602 WeakPolarHBondContact CD1-O 3.31Å; Y1597-Q1604 CarbonylContact C-O 3.54Å; Y1597-Q1604 VanDerWaalsContact CA-O 3.31Å; Y1597-Q1604 WeakPolarHBondContact CA-O 3.31Å; Y1597-A1605 HydrophobicContact CD1-CB 4.41Å; Y1597-A1605 HydrophobicContact CE1-CB 4.33Å |
| 1598 | F | 85.5 | Confident | 77.8 | Confident | 39 Ų | 39 | 76.5 Ų | 76.5 | 17% | 0.171 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 175.6 | 178.2 | 76.3 | -84.2 | 0 | 0 | 0 | 112.3 | C1602 Q1604 A1605 F1614 G1617 | F1598-C1602 CarbonylContact O-C 3.47Å; F1598-C1602 WeakPolarHBondContact O-CA 3.46Å; F1598-Q1604 HydrophobicContact CD1-CB 3.93Å; F1598-Q1604 WeakPolarHBondContact CD1-O 3.36Å; F1598-Q1604 HydrophobicContact CD2-CB 4.19Å; F1598-Q1604 HydrophobicContact CE1-CB 3.71Å; F1598-Q1604 HydrophobicContact CE2-CB 3.99Å; F1598-Q1604 HydrophobicContact CG-CB 4.17Å; F1598-Q1604 HydrophobicContact CZ-CB 3.75Å; F1598-Q1604 PolarHBondContact N-O 3.31Å; F1598-Q1604 WeakPolarHBondContact O-CB 3.45Å; F1598-Q1604 PolarHBondContact O-N 3.37Å; F1598-Q1604 VanDerWaalsContact O-N 3.16Å; F1598-A1605 WeakPolarHBondContact CE1-O 3.45Å; F1598-F1614 WeakPolarHBondContact CA-O 3.36Å; F1598-F1614 WeakPolarHBondContact CB-O 3.44Å; F1598-G1617 VanDerWaalsContact CD2-CA 3.47Å; F1598-G1617 VanDerWaalsContact CD2-N 3.35Å; F1598-G1617 VanDerWaalsContact CG-CA 3.42Å |
| 1599 | G | 71.3 | Confident | 77.4 | Confident | 4 Ų | 4 | 73.9 Ų | 73.9 | 4% | 0.041 | 38% | 0.383 | C | S | . | . | S | Bend | trans | 86.6 | -173 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115 | P1582 G1583 M1601 C1602 F1614 | P1582-G1599 WeakPolarHBondContact CA-O 3.37Å; G1583-G1599 PolarHBondContact N-O 2.78Å; G1599-M1601 PolarHBondContact O-N 2.8Å; G1599-C1602 PolarHBondContact O-N 2.72Å; G1599-C1602 VanDerWaalsContact O-N 3.12Å; G1599-F1614 PolarHBondContact N-O 3.46Å |
| 1600 | E | 73 | Confident | 76.7 | Confident | 105 Ų | 105 | 82.7 Ų | 82.7 | 49% | 0.491 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -64.3 | 125.3 | -177.9 | -170.2 | 175.9 | -147.9 | 0 | 0 | 110.9 | Q1567 C1602 A1603 | Q1567-E1600 PolarHBondContact NE2-OE1 2.87Å; E1600-C1602 PolarHBondContact O-N 2.95Å; E1600-C1602 VanDerWaalsContact O-N 3.08Å; E1600-A1603 WeakPolarHBondContact O-CB 3.37Å; E1600-A1603 PolarHBondContact O-N 3.2Å |
| 1601 | M | 74.3 | Confident | 76.3 | Confident | 89 Ų | 89 | 82.9 Ų | 82.9 | 44% | 0.438 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | 48.5 | 30.4 | -170.9 | -57.7 | -172.9 | -174.2 | 0 | 0 | 113.9 | G1599 A1603 | G1599-M1601 PolarHBondContact O-N 2.8Å; M1601-A1603 PolarHBondContact O-N 2.94Å; M1601-A1603 VanDerWaalsContact O-N 3.14Å |
| 1602 | C | 81.8 | Confident | 76.4 | Confident | 14 Ų | 14 | 78.1 Ų | 78.1 | 10% | 0.095 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | 58.5 | 24.2 | 178.9 | -47.7 | 0 | 0 | 0 | 0 | 114.8 | C1593 Y1597 F1598 G1599 E1600 Q1604 | C1593-C1602 WeakPolarHBondContact CA-SG 3.41Å; C1593-C1602 HydrophobicContact CB-CB 3.8Å; C1593-C1602 WeakPolarHBondContact CB-SG 2.99Å; C1593-C1602 WeakPolarHBondContact SG-CA 3.24Å; C1593-C1602 WeakPolarHBondContact SG-CB 3.08Å; C1593-C1602 CovalentContact SG-SG 2.03Å; C1593-C1602 PolarHBondContact SG-SG 3.29Å; Y1597-C1602 WeakPolarHBondContact CD1-O 3.31Å; F1598-C1602 CarbonylContact O-C 3.47Å; F1598-C1602 WeakPolarHBondContact O-CA 3.46Å; G1599-C1602 PolarHBondContact O-N 2.72Å; G1599-C1602 VanDerWaalsContact O-N 3.12Å; E1600-C1602 PolarHBondContact O-N 2.95Å; E1600-C1602 VanDerWaalsContact O-N 3.08Å; C1602-Q1604 PolarHBondContact O-N 3.17Å; C1602-Q1604 VanDerWaalsContact O-N 3.08Å |
| 1603 | A | 78.9 | Confident | 76.2 | Confident | 86 Ų | 86 | 77.1 Ų | 77.1 | 71% | 0.711 | 39% | 0.394 | S | S | * | . | trans | -72.1 | 1.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | E1600 M1601 | E1600-A1603 WeakPolarHBondContact O-CB 3.37Å; E1600-A1603 PolarHBondContact O-N 3.2Å; M1601-A1603 PolarHBondContact O-N 2.94Å; M1601-A1603 VanDerWaalsContact O-N 3.14Å | ||
| 1604 | Q | 79.8 | Confident | 76.1 | Confident | 101 Ų | 101 | 79.3 Ų | 79.3 | 47% | 0.472 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 129.4 | -175.4 | -58.9 | 174.4 | -36.1 | 0 | 0 | 110.1 | Y1597 F1598 C1602 | Y1597-Q1604 CarbonylContact C-O 3.54Å; Y1597-Q1604 VanDerWaalsContact CA-O 3.31Å; Y1597-Q1604 WeakPolarHBondContact CA-O 3.31Å; F1598-Q1604 HydrophobicContact CD1-CB 3.93Å; F1598-Q1604 WeakPolarHBondContact CD1-O 3.36Å; F1598-Q1604 HydrophobicContact CD2-CB 4.19Å; F1598-Q1604 HydrophobicContact CE1-CB 3.71Å; F1598-Q1604 HydrophobicContact CE2-CB 3.99Å; F1598-Q1604 HydrophobicContact CG-CB 4.17Å; F1598-Q1604 HydrophobicContact CZ-CB 3.75Å; F1598-Q1604 PolarHBondContact N-O 3.31Å; F1598-Q1604 WeakPolarHBondContact O-CB 3.45Å; F1598-Q1604 PolarHBondContact O-N 3.37Å; F1598-Q1604 VanDerWaalsContact O-N 3.16Å; C1602-Q1604 PolarHBondContact O-N 3.17Å; C1602-Q1604 VanDerWaalsContact O-N 3.08Å |
| 1605 | A | 81 | Confident | 76.1 | Confident | 54 Ų | 54 | 79.8 Ų | 79.8 | 45% | 0.446 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 142.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | G1596 Y1597 F1598 Q1607 | G1596-A1605 CarbonylContact O-C 3.51Å; G1596-A1605 VanDerWaalsContact O-CA 3.31Å; G1596-A1605 WeakPolarHBondContact O-CA 3.32Å; Y1597-A1605 HydrophobicContact CD1-CB 4.41Å; Y1597-A1605 HydrophobicContact CE1-CB 4.33Å; F1598-A1605 WeakPolarHBondContact CE1-O 3.45Å; A1605-Q1607 PolarHBondContact O-N 2.91Å |
| 1606 | C | 75.3 | Confident | 76.1 | Confident | 21 Ų | 21 | 73.9 Ų | 73.9 | 14% | 0.142 | 39% | 0.385 | C | S | . | . | trans | -55 | 127.9 | 175.6 | -61.9 | 0 | 0 | 0 | 0 | 110.7 | G1596 C1612 | G1596-C1606 VanDerWaalsContact CA-SG 3.54Å; G1596-C1606 PolarHBondContact O-N 2.93Å; G1596-C1606 PolarHBondContact O-SG 3.34Å; C1606-C1612 VanDerWaalsContact CA-SG 3.57Å; C1606-C1612 HydrophobicContact CB-CB 3.79Å; C1606-C1612 WeakPolarHBondContact CB-SG 3.48Å; C1606-C1612 WeakPolarHBondContact SG-CB 3.08Å; C1606-C1612 PolarHBondContact SG-N 2.04Å; C1606-C1612 CovalentContact SG-SG 2.03Å; C1606-C1612 PolarHBondContact SG-SG 2.84Å | ||
| 1607 | Q | 65.7 | Low | 75.9 | Confident | 147 Ų | 147 | 73.7 Ų | 73.7 | 69% | 0.687 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -106.6 | 128.2 | 175.8 | -63.7 | -171.5 | -6.6 | 0 | 0 | 110 | A1605 | A1605-Q1607 PolarHBondContact O-N 2.91Š|
| 1608 | H | 71.9 | Confident | 75.4 | Confident | 157 Ų | 157 | 75 Ų | 75 | 73% | 0.727 | 39% | 0.393 | S | S | * | . | S | Bend | trans | 76.5 | 8.3 | 177.9 | -40.3 | 93.5 | 0 | 0 | 0 | 117.6 | T1629 | H1608-T1629 HydrophobicContact CB-CG2 4.14Š|
| 1609 | C | 70.6 | Confident | 74.9 | Confident | 32 Ų | 32 | 74.3 Ų | 74.3 | 22% | 0.216 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -154.9 | 154.2 | 172.2 | 52.4 | 0 | 0 | 0 | 0 | 112.6 | C1619 | C1609-C1619 HydrophobicContact CB-CB 3.69Å; C1609-C1619 WeakPolarHBondContact CB-SG 3.24Å; C1609-C1619 WeakPolarHBondContact SG-CA 3.05Å; C1609-C1619 WeakPolarHBondContact SG-CB 3.49Å; C1609-C1619 CovalentContact SG-SG 2.03Å; C1609-C1619 PolarHBondContact SG-SG 3.18Å |
| 1610 | E | 66.5 | Low | 74.7 | Confident | 184 Ų | 184 | 78.8 Ų | 78.8 | 86% | 0.86 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -74.8 | -30.4 | 177.7 | -63.8 | -176.6 | 138.5 | 0 | 0 | 112.9 | ||
| 1611 | E | 70.1 | Confident | 74.7 | Confident | 87 Ų | 87 | 75.4 Ų | 75.4 | 41% | 0.407 | 40% | 0.403 | S | S | . | . | trans | -125.3 | 120.5 | 175 | -66.3 | -167.1 | 126.3 | 0 | 0 | 111 | R1595 L1620 | R1595-E1611 IonicContact CZ-OE1 3.71Å; R1595-E1611 IonicContact NE-OE1 3.99Å; R1595-E1611 PolarHBondContact NE-OE1 3.45Å; R1595-E1611 IonicContact NH2-OE1 2.7Å; R1595-E1611 PolarHBondContact NH2-OE1 3.02Å; E1611-L1620 PolarHBondContact O-N 2.62Å | ||
| 1612 | C | 78.9 | Confident | 74.3 | Confident | 13 Ų | 13 | 74.4 Ų | 74.4 | 9% | 0.088 | 41% | 0.409 | C | S | . | . | B | Isolated β-bridge | trans | -127.5 | 160.4 | 170.9 | 77.9 | 0 | 0 | 0 | 0 | 111.2 | C1606 F1614 G1617 Q1618 | C1606-C1612 VanDerWaalsContact CA-SG 3.57Å; C1606-C1612 HydrophobicContact CB-CB 3.79Å; C1606-C1612 WeakPolarHBondContact CB-SG 3.48Å; C1606-C1612 WeakPolarHBondContact SG-CB 3.08Å; C1606-C1612 PolarHBondContact SG-N 2.04Å; C1606-C1612 CovalentContact SG-SG 2.03Å; C1606-C1612 PolarHBondContact SG-SG 2.84Å; C1612-F1614 PolarHBondContact O-N 2.03Å; C1612-G1617 WeakPolarHBondContact CB-O 3.06Å; C1612-Q1618 CarbonylContact C-O 3.6Å; C1612-Q1618 WeakPolarHBondContact CA-O 3.46Å |
| 1613 | H | 78.4 | Confident | 73.6 | Confident | 57 Ų | 57 | 78.4 Ų | 78.4 | 26% | 0.264 | 43% | 0.428 | S | S | . | . | trans | -70.4 | 119.1 | -176.3 | -173.6 | -98 | 0 | 0 | 0 | 111.2 | E1615 T1616 G1617 Q1618 L1620 | H1613-E1615 VanDerWaalsContact C-N 3.27Å; H1613-E1615 PolarHBondContact O-N 3.48Å; H1613-E1615 VanDerWaalsContact O-N 3.11Å; H1613-T1616 WeakPolarHBondContact CB-OG1 3.07Å; H1613-T1616 PolarHBondContact ND1-OG1 2.7Å; H1613-T1616 PolarHBondContact O-N 2.71Å; H1613-G1617 PolarHBondContact O-N 3.02Å; H1613-Q1618 WeakPolarHBondContact CB-O 3.33Å; H1613-Q1618 PolarHBondContact N-O 3.33Å; H1613-L1620 HydrophobicContact CB-CD2 4.17Å | ||
| 1614 | F | 78.3 | Confident | 73.2 | Confident | 61 Ų | 61 | 74.4 Ų | 74.4 | 27% | 0.268 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -36 | -172.6 | 57.8 | -81.6 | 0 | 0 | 0 | 114.9 | G1583 Y1584 V1592 C1593 F1598 G1599 C1612 | G1583-F1614 WeakPolarHBondContact CA-O 3.49Å; Y1584-F1614 HydrophobicContact CE2-CE2 4.31Å; V1592-F1614 HydrophobicContact CG1-CB 3.92Å; V1592-F1614 HydrophobicContact CG1-CD1 4.08Å; V1592-F1614 HydrophobicContact CG1-CD2 3.69Å; V1592-F1614 HydrophobicContact CG1-CE2 4.26Å; V1592-F1614 HydrophobicContact CG1-CG 3.61Å; C1593-F1614 HydrophobicContact CB-CB 4.12Å; F1598-F1614 WeakPolarHBondContact CA-O 3.36Å; F1598-F1614 WeakPolarHBondContact CB-O 3.44Å; G1599-F1614 PolarHBondContact N-O 3.46Å; C1612-F1614 PolarHBondContact O-N 2.03Å |
| 1615 | E | 75.5 | Confident | 73 | Confident | 83 Ų | 83 | 73 Ų | 73 | 39% | 0.388 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -27.5 | 176.6 | -89.1 | 178 | 171.6 | 0 | 0 | 114.5 | P1582 H1613 | P1582-E1615 WeakPolarHBondContact O-CG 3.45Å; H1613-E1615 VanDerWaalsContact C-N 3.27Å; H1613-E1615 PolarHBondContact O-N 3.48Å; H1613-E1615 VanDerWaalsContact O-N 3.11Å |
| 1616 | T | 77.1 | Confident | 72.7 | Confident | 80 Ų | 80 | 73.6 Ų | 73.6 | 49% | 0.491 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.3 | -10 | -159.7 | 61.2 | 0 | 0 | 0 | 0 | 115.9 | H1613 Q1618 | H1613-T1616 WeakPolarHBondContact CB-OG1 3.07Å; H1613-T1616 PolarHBondContact ND1-OG1 2.7Å; H1613-T1616 PolarHBondContact O-N 2.71Å; T1616-Q1618 PolarHBondContact O-N 3.36Å |
| 1617 | G | 75.2 | Confident | 72.4 | Confident | 17 Ų | 17 | 74.4 Ų | 74.4 | 18% | 0.175 | 39% | 0.394 | C | S | . | . | trans | 74.2 | 5.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | F1598 C1612 H1613 | F1598-G1617 VanDerWaalsContact CD2-CA 3.47Å; F1598-G1617 VanDerWaalsContact CD2-N 3.35Å; F1598-G1617 VanDerWaalsContact CG-CA 3.42Å; C1612-G1617 WeakPolarHBondContact CB-O 3.06Å; H1613-G1617 PolarHBondContact O-N 3.02Å | ||
| 1618 | Q | 73.9 | Confident | 72.3 | Confident | 144 Ų | 144 | 76 Ų | 76 | 67% | 0.673 | 40% | 0.401 | S | S | * | . | trans | -84.5 | 128.2 | -174.1 | -166.6 | 172.2 | 18.7 | 0 | 0 | 111.8 | C1612 H1613 T1616 | C1612-Q1618 CarbonylContact C-O 3.6Å; C1612-Q1618 WeakPolarHBondContact CA-O 3.46Å; H1613-Q1618 WeakPolarHBondContact CB-O 3.33Å; H1613-Q1618 PolarHBondContact N-O 3.33Å; T1616-Q1618 PolarHBondContact O-N 3.36Å | ||
| 1619 | C | 75.4 | Confident | 72.3 | Confident | 25 Ų | 25 | 73.1 Ų | 73.1 | 17% | 0.169 | 40% | 0.395 | C | S | . | . | B | Isolated β-bridge | trans | -61.4 | 137.6 | -174.3 | -61.6 | 0 | 0 | 0 | 0 | 114 | C1609 E1628 | C1609-C1619 HydrophobicContact CB-CB 3.69Å; C1609-C1619 WeakPolarHBondContact CB-SG 3.24Å; C1609-C1619 WeakPolarHBondContact SG-CA 3.05Å; C1609-C1619 WeakPolarHBondContact SG-CB 3.49Å; C1609-C1619 CovalentContact SG-SG 2.03Å; C1609-C1619 PolarHBondContact SG-SG 3.18Å; C1619-E1628 PolarHBondContact SG-O 2.82Å |
| 1620 | L | 67.6 | Low | 72.3 | Confident | 98 Ų | 98 | 72.8 Ų | 72.8 | 51% | 0.513 | 39% | 0.393 | S | S | . | . | trans | -95.6 | 106.4 | -176.9 | -66.1 | 173.8 | 0 | 0 | 0 | 110.9 | E1611 H1613 | E1611-L1620 PolarHBondContact O-N 2.62Å; H1613-L1620 HydrophobicContact CB-CD2 4.17Å | ||
| 1621 | C | 72.3 | Confident | 72.7 | Confident | 34 Ų | 34 | 67 Ų | 67 | 23% | 0.23 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -91.6 | 141 | -176.9 | -53.6 | 0 | 0 | 0 | 0 | 113.4 | H1625 C1630 | C1621-H1625 HydrophobicContact CB-CB 4.19Å; C1621-C1630 WeakPolarHBondContact CA-SG 3.42Å; C1621-C1630 HydrophobicContact CB-CB 3.7Å; C1621-C1630 WeakPolarHBondContact CB-SG 3.05Å; C1621-C1630 WeakPolarHBondContact SG-CA 3.36Å; C1621-C1630 WeakPolarHBondContact SG-CB 3.48Å; C1621-C1630 CovalentContact SG-SG 2.04Å; C1621-C1630 PolarHBondContact SG-SG 3.43Å |
| 1622 | A | 66.9 | Low | 72.8 | Confident | 68 Ų | 68 | 65.5 Ų | 65.5 | 56% | 0.562 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 154.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G1624 H1625 | A1622-G1624 PolarHBondContact O-N 3.04Å; A1622-G1624 VanDerWaalsContact O-N 3.15Å; A1622-H1625 WeakPolarHBondContact O-CB 3.48Å; A1622-H1625 PolarHBondContact O-N 3.28Å |
| 1623 | L | 66.2 | Low | 72.7 | Confident | 97 Ų | 97 | 70.6 Ų | 70.6 | 51% | 0.508 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 117.8 | 178.2 | -76.8 | 169.1 | 0 | 0 | 0 | 111.6 | V1641 | L1623-V1641 HydrophobicContact CD2-CG1 4.14Š|
| 1624 | G | 69.7 | Low | 72.7 | Confident | 3 Ų | 3 | 68.5 Ų | 68.5 | 3% | 0.031 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 101.1 | -0.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | A1622 I1633 C1634 A1657 | A1622-G1624 PolarHBondContact O-N 3.04Å; A1622-G1624 VanDerWaalsContact O-N 3.15Å; G1624-I1633 WeakPolarHBondContact O-CA 3.24Å; G1624-C1634 VanDerWaalsContact C-SG 3.51Å; G1624-C1634 PolarHBondContact O-N 3.04Å; G1624-C1634 PolarHBondContact O-SG 3.12Å; G1624-A1657 WeakPolarHBondContact CA-O 3.35Å |
| 1625 | H | 76.9 | Confident | 72.8 | Confident | 72 Ų | 72 | 68.6 Ų | 68.6 | 33% | 0.333 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 154.2 | 178 | -75.2 | -114.8 | 0 | 0 | 0 | 113.3 | C1621 A1622 C1630 S1632 | C1621-H1625 HydrophobicContact CB-CB 4.19Å; A1622-H1625 WeakPolarHBondContact O-CB 3.48Å; A1622-H1625 PolarHBondContact O-N 3.28Å; H1625-C1630 PolarHBondContact ND1-O 2.85Å; H1625-S1632 CarbonylContact C-O 3.59Å; H1625-S1632 WeakPolarHBondContact CA-O 3.49Å |
| 1626 | H | 74.9 | Confident | 72.8 | Confident | 66 Ų | 66 | 77 Ų | 77 | 31% | 0.306 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 176.6 | 175.5 | 79.6 | 91.4 | 0 | 0 | 0 | 113.3 | C1630 S1632 C1643 | H1626-C1630 CarbonylContact O-C 3.51Å; H1626-C1630 WeakPolarHBondContact O-CA 3.31Å; H1626-S1632 PolarHBondContact N-O 3.2Å; H1626-S1632 VanDerWaalsContact NE2-CB 3.34Å; H1626-S1632 WeakPolarHBondContact NE2-CB 3.3Å; H1626-S1632 WeakPolarHBondContact O-CB 3.33Å; H1626-S1632 PolarHBondContact O-N 3.27Å; H1626-S1632 VanDerWaalsContact O-N 3.09Å; H1626-C1643 VanDerWaalsContact CD2-SG 3.57Å |
| 1627 | G | 67.6 | Low | 72.8 | Confident | 37 Ų | 37 | 74.5 Ų | 74.5 | 38% | 0.381 | 42% | 0.424 | S | S | . | . | S | Bend | trans | 98.8 | 161.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T1629 C1630 | G1627-T1629 PolarHBondContact O-N 3.09Å; G1627-T1629 VanDerWaalsContact O-N 3.11Å; G1627-C1630 PolarHBondContact O-N 3.49Å |
| 1628 | E | 65.1 | Low | 73.2 | Confident | 180 Ų | 180 | 76.7 Ų | 76.7 | 84% | 0.841 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -26.1 | -173.5 | -62.4 | 180 | 146.1 | 0 | 0 | 113.7 | C1619 | C1619-E1628 PolarHBondContact SG-O 2.82Š|
| 1629 | T | 70.3 | Confident | 73.7 | Confident | 97 Ų | 97 | 72.8 Ų | 72.8 | 60% | 0.595 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.9 | 14.5 | 176.2 | 57 | 0 | 0 | 0 | 0 | 113 | H1608 G1627 G1631 | H1608-T1629 HydrophobicContact CB-CG2 4.14Å; G1627-T1629 PolarHBondContact O-N 3.09Å; G1627-T1629 VanDerWaalsContact O-N 3.11Å; T1629-G1631 PolarHBondContact O-N 3.14Å |
| 1630 | C | 71.6 | Confident | 73.3 | Confident | 25 Ų | 25 | 72 Ų | 72 | 17% | 0.169 | 41% | 0.405 | C | S | . | . | S | Bend | trans | 56.1 | 11.7 | -177.1 | -55.2 | 0 | 0 | 0 | 0 | 116.7 | C1621 H1625 H1626 G1627 S1632 | C1621-C1630 WeakPolarHBondContact CA-SG 3.42Å; C1621-C1630 HydrophobicContact CB-CB 3.7Å; C1621-C1630 WeakPolarHBondContact CB-SG 3.05Å; C1621-C1630 WeakPolarHBondContact SG-CA 3.36Å; C1621-C1630 WeakPolarHBondContact SG-CB 3.48Å; C1621-C1630 CovalentContact SG-SG 2.04Å; C1621-C1630 PolarHBondContact SG-SG 3.43Å; H1625-C1630 PolarHBondContact ND1-O 2.85Å; H1626-C1630 CarbonylContact O-C 3.51Å; H1626-C1630 WeakPolarHBondContact O-CA 3.31Å; G1627-C1630 PolarHBondContact O-N 3.49Å; C1630-S1632 VanDerWaalsContact C-N 3.31Å; C1630-S1632 PolarHBondContact O-N 3.43Å |
| 1631 | G | 73.7 | Confident | 73.4 | Confident | 63 Ų | 63 | 71.9 Ų | 71.9 | 65% | 0.649 | 41% | 0.408 | S | S | * | . | trans | -77 | -2.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | T1629 | T1629-G1631 PolarHBondContact O-N 3.14Š| ||
| 1632 | S | 72.4 | Confident | 73.4 | Confident | 55 Ų | 55 | 74.8 Ų | 74.8 | 39% | 0.385 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 141.3 | -179.1 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | H1625 H1626 C1630 | H1625-S1632 CarbonylContact C-O 3.59Å; H1625-S1632 WeakPolarHBondContact CA-O 3.49Å; H1626-S1632 PolarHBondContact N-O 3.2Å; H1626-S1632 VanDerWaalsContact NE2-CB 3.34Å; H1626-S1632 WeakPolarHBondContact NE2-CB 3.3Å; H1626-S1632 WeakPolarHBondContact O-CB 3.33Å; H1626-S1632 PolarHBondContact O-N 3.27Å; H1626-S1632 VanDerWaalsContact O-N 3.09Å; C1630-S1632 VanDerWaalsContact C-N 3.31Å; C1630-S1632 PolarHBondContact O-N 3.43Å |
| 1633 | I | 77.5 | Confident | 73.9 | Confident | 120 Ų | 120 | 72 Ų | 72 | 62% | 0.615 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 144 | 179.7 | -53.6 | 169 | 0 | 0 | 0 | 109.3 | G1624 | G1624-I1633 WeakPolarHBondContact O-CA 3.24Å |
| 1634 | C | 78.4 | Confident | 74.5 | Confident | 14 Ų | 14 | 71.2 Ų | 71.2 | 10% | 0.095 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -57.4 | 138.3 | -176.3 | -71.7 | 0 | 0 | 0 | 0 | 114.3 | G1624 C1643 A1657 | G1624-C1634 VanDerWaalsContact C-SG 3.51Å; G1624-C1634 PolarHBondContact O-N 3.04Å; G1624-C1634 PolarHBondContact O-SG 3.12Å; C1634-C1643 WeakPolarHBondContact CA-SG 3.01Å; C1634-C1643 HydrophobicContact CB-CB 3.82Å; C1634-C1643 WeakPolarHBondContact CB-SG 3.49Å; C1634-C1643 WeakPolarHBondContact SG-CA 3.44Å; C1634-C1643 WeakPolarHBondContact SG-CB 3.02Å; C1634-C1643 CovalentContact SG-SG 2.04Å; C1634-C1643 PolarHBondContact SG-SG 2.03Å; C1634-A1657 HydrophobicContact CB-CB 4.39Å |
| 1635 | P | 79.6 | Confident | 74.6 | Confident | 62 Ų | 62 | 76.8 Ų | 76.8 | 40% | 0.403 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 152 | 173.9 | -28.3 | 35.9 | 0 | 0 | 0 | 114.1 | G1637 Q1638 | P1635-G1637 PolarHBondContact O-N 3.35Å; P1635-Q1638 VanDerWaalsContact CG-OE1 3.32Å; P1635-Q1638 PolarHBondContact O-N 3.15Å |
| 1636 | R | 77.1 | Confident | 74.8 | Confident | 260 Ų | 260 | 79.8 Ų | 79.8 | 98% | 0.981 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 123 | 175.7 | -103.5 | -177 | 171.8 | 170.2 | -2.4 | 111 | ||
| 1637 | G | 76.7 | Confident | 74.9 | Confident | 28 Ų | 28 | 77.7 Ų | 77.7 | 29% | 0.289 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.5 | 1.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | P1635 L1646 C1647 | P1635-G1637 PolarHBondContact O-N 3.35Å; G1637-L1646 CarbonylContact O-C 3.54Å; G1637-L1646 WeakPolarHBondContact O-CA 3.3Å; G1637-C1647 PolarHBondContact O-N 3.37Å |
| 1638 | Q | 82.4 | Confident | 75.6 | Confident | 63 Ų | 63 | 81 Ų | 81 | 29% | 0.294 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 150.3 | 173.3 | -67.7 | 176.9 | -10.2 | 0 | 0 | 112 | P1635 C1643 K1645 L1646 | P1635-Q1638 VanDerWaalsContact CG-OE1 3.32Å; P1635-Q1638 PolarHBondContact O-N 3.15Å; Q1638-C1643 HydrophobicContact CB-CB 4.02Å; Q1638-K1645 CarbonylContact C-O 3.51Å; Q1638-K1645 VanDerWaalsContact CA-O 3.24Å; Q1638-K1645 WeakPolarHBondContact CA-O 3.39Å; Q1638-L1646 HydrophobicContact CG-CG 4.37Å |
| 1639 | Y | 86 | Confident | 76.4 | Confident | 62 Ų | 62 | 74.1 Ų | 74.1 | 24% | 0.243 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 175 | 179 | 76 | -86.3 | 0 | 0 | 0 | 112.5 | C1643 S1644 K1645 C1647 A1657 G1660 | Y1639-C1643 CarbonylContact O-C 3.47Å; Y1639-S1644 PolarHBondContact O-N 3.18Å; Y1639-K1645 HydrophobicContact CD1-CB 3.61Å; Y1639-K1645 WeakPolarHBondContact CD1-O 3.47Å; Y1639-K1645 HydrophobicContact CD2-CB 3.98Å; Y1639-K1645 HydrophobicContact CD2-CG 4.4Å; Y1639-K1645 HydrophobicContact CE1-CB 3.36Å; Y1639-K1645 HydrophobicContact CE1-CG 4.37Å; Y1639-K1645 HydrophobicContact CE2-CB 3.76Å; Y1639-K1645 HydrophobicContact CE2-CG 3.97Å; Y1639-K1645 HydrophobicContact CG-CB 3.93Å; Y1639-K1645 VanDerWaalsContact CZ-CB 3.44Å; Y1639-K1645 PolarHBondContact N-O 3.24Å; Y1639-K1645 WeakPolarHBondContact O-CB 3.34Å; Y1639-K1645 PolarHBondContact O-N 2.83Å; Y1639-K1645 VanDerWaalsContact O-N 3.09Å; Y1639-C1647 VanDerWaalsContact CD1-SG 3.57Å; Y1639-A1657 VanDerWaalsContact CA-O 3.3Å; Y1639-A1657 WeakPolarHBondContact CA-O 3.27Å; Y1639-A1657 WeakPolarHBondContact CB-O 3.05Å; Y1639-G1660 VanDerWaalsContact CD1-CA 3.48Å |
| 1640 | G | 67.3 | Low | 76.8 | Confident | 8 Ų | 8 | 74.2 Ų | 74.2 | 8% | 0.082 | 42% | 0.424 | C | S | . | . | S | Bend | trans | 82.5 | -174.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114 | S1642 C1643 A1657 | G1640-S1642 PolarHBondContact O-N 3.29Å; G1640-C1643 PolarHBondContact O-N 2.95Å; G1640-C1643 VanDerWaalsContact O-N 3.12Å; G1640-A1657 PolarHBondContact N-O 2.04Å |
| 1641 | V | 69.3 | Low | 77.1 | Confident | 95 Ų | 95 | 76.2 Ų | 76.2 | 58% | 0.576 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -58.2 | 129 | 178 | -79.4 | 0 | 0 | 0 | 0 | 110.8 | L1623 C1643 S1644 | L1623-V1641 HydrophobicContact CD2-CG1 4.14Å; V1641-C1643 PolarHBondContact O-N 3.11Å; V1641-S1644 WeakPolarHBondContact O-CB 3.5Å; V1641-S1644 PolarHBondContact O-N 2.74Å; V1641-S1644 VanDerWaalsContact O-N 3.14Å; V1641-S1644 PolarHBondContact O-OG 2.91Å |
| 1642 | S | 70.7 | Confident | 77.2 | Confident | 95 Ų | 95 | 80.3 Ų | 80.3 | 66% | 0.664 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | 50.3 | 28.2 | -175.9 | -51.5 | 0 | 0 | 0 | 0 | 114.4 | G1640 S1644 | G1640-S1642 PolarHBondContact O-N 3.29Å; S1642-S1644 PolarHBondContact O-N 3.25Å |
| 1643 | C | 78.4 | Confident | 77.3 | Confident | 10 Ų | 10 | 78.3 Ų | 78.3 | 7% | 0.068 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | 59.3 | 25.2 | 180 | -42 | 0 | 0 | 0 | 0 | 114.3 | H1626 C1634 Q1638 Y1639 G1640 V1641 K1645 | H1626-C1643 VanDerWaalsContact CD2-SG 3.57Å; C1634-C1643 WeakPolarHBondContact CA-SG 3.01Å; C1634-C1643 HydrophobicContact CB-CB 3.82Å; C1634-C1643 WeakPolarHBondContact CB-SG 3.49Å; C1634-C1643 WeakPolarHBondContact SG-CA 3.44Å; C1634-C1643 WeakPolarHBondContact SG-CB 3.02Å; C1634-C1643 CovalentContact SG-SG 2.04Å; C1634-C1643 PolarHBondContact SG-SG 2.03Å; Q1638-C1643 HydrophobicContact CB-CB 4.02Å; Y1639-C1643 CarbonylContact O-C 3.47Å; G1640-C1643 PolarHBondContact O-N 2.95Å; G1640-C1643 VanDerWaalsContact O-N 3.12Å; V1641-C1643 PolarHBondContact O-N 3.11Å; C1643-K1645 VanDerWaalsContact C-N 3.29Å; C1643-K1645 PolarHBondContact O-N 3.07Å |
| 1644 | S | 78.9 | Confident | 77.5 | Confident | 80 Ų | 80 | 78.2 Ų | 78.2 | 56% | 0.559 | 43% | 0.426 | S | S | * | . | trans | -72.2 | -9.5 | -170.6 | 56 | 0 | 0 | 0 | 0 | 115.9 | Y1639 V1641 S1642 | Y1639-S1644 PolarHBondContact O-N 3.18Å; V1641-S1644 WeakPolarHBondContact O-CB 3.5Å; V1641-S1644 PolarHBondContact O-N 2.74Å; V1641-S1644 VanDerWaalsContact O-N 3.14Å; V1641-S1644 PolarHBondContact O-OG 2.91Å; S1642-S1644 PolarHBondContact O-N 3.25Å | ||
| 1645 | K | 72.1 | Confident | 77.6 | Confident | 120 Ų | 120 | 78.9 Ų | 78.9 | 52% | 0.522 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 136.1 | 178.9 | -60.3 | -74 | -174.3 | 174.1 | 0 | 110.6 | Q1638 Y1639 C1643 | Q1638-K1645 CarbonylContact C-O 3.51Å; Q1638-K1645 VanDerWaalsContact CA-O 3.24Å; Q1638-K1645 WeakPolarHBondContact CA-O 3.39Å; Y1639-K1645 HydrophobicContact CD1-CB 3.61Å; Y1639-K1645 WeakPolarHBondContact CD1-O 3.47Å; Y1639-K1645 HydrophobicContact CD2-CB 3.98Å; Y1639-K1645 HydrophobicContact CD2-CG 4.4Å; Y1639-K1645 HydrophobicContact CE1-CB 3.36Å; Y1639-K1645 HydrophobicContact CE1-CG 4.37Å; Y1639-K1645 HydrophobicContact CE2-CB 3.76Å; Y1639-K1645 HydrophobicContact CE2-CG 3.97Å; Y1639-K1645 HydrophobicContact CG-CB 3.93Å; Y1639-K1645 VanDerWaalsContact CZ-CB 3.44Å; Y1639-K1645 PolarHBondContact N-O 3.24Å; Y1639-K1645 WeakPolarHBondContact O-CB 3.34Å; Y1639-K1645 PolarHBondContact O-N 2.83Å; Y1639-K1645 VanDerWaalsContact O-N 3.09Å; C1643-K1645 VanDerWaalsContact C-N 3.29Å; C1643-K1645 PolarHBondContact O-N 3.07Å |
| 1646 | L | 81.2 | Confident | 77.7 | Confident | 135 Ų | 135 | 77.4 Ų | 77.4 | 71% | 0.707 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 141 | 166.3 | -83.5 | 84.2 | 0 | 0 | 0 | 111.1 | G1637 Q1638 | G1637-L1646 CarbonylContact O-C 3.54Å; G1637-L1646 WeakPolarHBondContact O-CA 3.3Å; Q1638-L1646 HydrophobicContact CG-CG 4.37Å |
| 1647 | C | 76.8 | Confident | 77.5 | Confident | 22 Ų | 22 | 66.2 Ų | 66.2 | 15% | 0.149 | 39% | 0.385 | C | S | . | . | trans | -80 | 137.3 | 166.1 | -84.1 | 0 | 0 | 0 | 0 | 111.1 | G1637 Y1639 C1655 G1660 | G1637-C1647 PolarHBondContact O-N 3.37Å; Y1639-C1647 VanDerWaalsContact CD1-SG 3.57Å; C1647-C1655 HydrophobicContact CB-CB 3.47Å; C1647-C1655 VanDerWaalsContact CB-CB 3.47Å; C1647-C1655 WeakPolarHBondContact CB-SG 3.33Å; C1647-C1655 WeakPolarHBondContact SG-CB 3.49Å; C1647-C1655 CovalentContact SG-SG 2.03Å; C1647-C1655 PolarHBondContact SG-SG 2.83Å; C1647-G1660 PolarHBondContact SG-O 3.08Å | ||
| 1648 | S | 81.3 | Confident | 77.3 | Confident | 106 Ų | 106 | 69.2 Ų | 69.2 | 74% | 0.741 | 39% | 0.394 | S | S | * | . | trans | -111 | 75.9 | 168.7 | -111.4 | 0 | 0 | 0 | 0 | 109.6 | D1672 | S1648-D1672 VanDerWaalsContact O-CB 3.3Å; S1648-D1672 WeakPolarHBondContact O-CB 3.07Å | ||
| 1649 | C | 83.4 | Confident | 77 | Confident | 37 Ų | 37 | 72.3 Ų | 72.3 | 25% | 0.25 | 41% | 0.412 | C | S | . | . | trans | -97 | 119.7 | 178.5 | -55.8 | 0 | 0 | 0 | 0 | 110.3 | A1653 C1662 | C1649-A1653 HydrophobicContact CB-CB 4.06Å; C1649-A1653 WeakPolarHBondContact CB-O 3.3Å; C1649-C1662 WeakPolarHBondContact CA-SG 3.07Å; C1649-C1662 HydrophobicContact CB-CB 3.82Å; C1649-C1662 WeakPolarHBondContact CB-SG 3.4Å; C1649-C1662 WeakPolarHBondContact SG-CB 3.07Å; C1649-C1662 CovalentContact SG-SG 2.04Å; C1649-C1662 PolarHBondContact SG-SG 3.2Å | ||
| 1650 | Q | 78.6 | Confident | 76.5 | Confident | 99 Ų | 99 | 70 Ų | 70 | 46% | 0.463 | 41% | 0.406 | S | S | . | . | trans | -86 | 176 | 174.1 | -53.9 | -157.1 | 39.3 | 0 | 0 | 111.6 | N1652 A1653 D1672 | Q1650-N1652 VanDerWaalsContact C-N 3.26Å; Q1650-N1652 PolarHBondContact O-N 2.04Å; Q1650-A1653 VanDerWaalsContact O-CB 3.29Å; Q1650-A1653 WeakPolarHBondContact O-CB 3.35Å; Q1650-A1653 PolarHBondContact O-N 2.8Å; Q1650-D1672 WeakPolarHBondContact CA-O 3.49Å; Q1650-D1672 WeakPolarHBondContact CB-O 3.21Å; Q1650-D1672 HydrophobicContact CG-CB 4.38Å; Q1650-D1672 PolarHBondContact N-O 2.81Å; Q1650-D1672 PolarHBondContact NE2-OD2 2.03Å | ||
| 1651 | N | 76.7 | Confident | 77.2 | Confident | 67 Ų | 67 | 74.2 Ų | 74.2 | 36% | 0.358 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50 | 39.7 | 170.2 | -62.8 | -44.8 | 0 | 0 | 0 | 114.8 | A1653 F1668 C1673 | N1651-A1653 PolarHBondContact O-N 3.49Å; N1651-F1668 HydrophobicContact CB-CD1 4.23Å; N1651-F1668 HydrophobicContact CB-CD2 4.34Å; N1651-F1668 HydrophobicContact CB-CE1 4.3Å; N1651-F1668 HydrophobicContact CB-CE2 4.41Å; N1651-F1668 HydrophobicContact CB-CG 4.25Å; N1651-F1668 HydrophobicContact CB-CZ 4.38Å; N1651-F1668 VanDerWaalsContact ND2-CD1 3.31Å; N1651-F1668 WeakPolarHBondContact ND2-CD1 3.03Å; N1651-F1668 VanDerWaalsContact ND2-CE1 3.35Å; N1651-F1668 WeakPolarHBondContact ND2-CE1 3.31Å; N1651-C1673 PolarHBondContact ND2-O 2.97Å |
| 1652 | N | 76.9 | Confident | 77.9 | Confident | 148 Ų | 148 | 70.1 Ų | 70.1 | 79% | 0.791 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 20.4 | -177.4 | -66.5 | -19.3 | 0 | 0 | 0 | 115.7 | Q1650 L1665 | Q1650-N1652 VanDerWaalsContact C-N 3.26Å; Q1650-N1652 PolarHBondContact O-N 2.04Å; N1652-L1665 HydrophobicContact CB-CD1 4.27Å |
| 1653 | A | 74.6 | Confident | 78.6 | Confident | 13 Ų | 13 | 70.7 Ų | 70.7 | 11% | 0.107 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 147.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | C1649 Q1650 N1651 C1662 N1663 C1673 | C1649-A1653 HydrophobicContact CB-CB 4.06Å; C1649-A1653 WeakPolarHBondContact CB-O 3.3Å; Q1650-A1653 VanDerWaalsContact O-CB 3.29Å; Q1650-A1653 WeakPolarHBondContact O-CB 3.35Å; Q1650-A1653 PolarHBondContact O-N 2.8Å; N1651-A1653 PolarHBondContact O-N 3.49Å; A1653-C1662 HydrophobicContact CB-CB 4.26Å; A1653-N1663 VanDerWaalsContact CA-O 3.31Å; A1653-N1663 WeakPolarHBondContact CA-O 3.04Å; A1653-N1663 VanDerWaalsContact CB-O 3.28Å; A1653-N1663 WeakPolarHBondContact CB-O 3.03Å; A1653-C1673 HydrophobicContact CB-CB 3.81Å; A1653-C1673 WeakPolarHBondContact CB-SG 3.35Å |
| 1654 | I | 80.4 | Confident | 78.6 | Confident | 119 Ų | 119 | 72.5 Ų | 72.5 | 61% | 0.61 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 120.3 | -170.8 | -57.7 | 172.4 | 0 | 0 | 0 | 111.2 | N1663 | I1654-N1663 HydrophobicContact CB-CB 4.42Å; I1654-N1663 PolarHBondContact N-O 2.03Å; I1654-N1663 PolarHBondContact O-N 3.47Å |
| 1655 | C | 81.1 | Confident | 78.5 | Confident | 27 Ų | 27 | 73 Ų | 73 | 18% | 0.182 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 132.5 | 173.2 | 174.6 | 0 | 0 | 0 | 0 | 112.9 | C1647 | C1647-C1655 HydrophobicContact CB-CB 3.47Å; C1647-C1655 VanDerWaalsContact CB-CB 3.47Å; C1647-C1655 WeakPolarHBondContact CB-SG 3.33Å; C1647-C1655 WeakPolarHBondContact SG-CB 3.49Å; C1647-C1655 CovalentContact SG-SG 2.03Å; C1647-C1655 PolarHBondContact SG-SG 2.83Å |
| 1656 | S | 82.1 | Confident | 78.6 | Confident | 31 Ų | 31 | 73.3 Ų | 73.3 | 22% | 0.217 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -82 | 121.5 | 167.2 | 175.5 | 0 | 0 | 0 | 0 | 111.6 | N1658 I1659 G1660 N1661 | S1656-N1658 PolarHBondContact O-N 3.28Å; S1656-I1659 PolarHBondContact O-N 2.85Å; S1656-G1660 VanDerWaalsContact O-CA 3.31Å; S1656-G1660 WeakPolarHBondContact O-CA 3.25Å; S1656-G1660 PolarHBondContact O-N 2.95Å; S1656-N1661 PolarHBondContact N-O 3.17Å |
| 1657 | A | 72.1 | Confident | 78 | Confident | 25 Ų | 25 | 68.5 Ų | 68.5 | 21% | 0.207 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -25.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | G1624 C1634 Y1639 G1640 | G1624-A1657 WeakPolarHBondContact CA-O 3.35Å; C1634-A1657 HydrophobicContact CB-CB 4.39Å; Y1639-A1657 VanDerWaalsContact CA-O 3.3Å; Y1639-A1657 WeakPolarHBondContact CA-O 3.27Å; Y1639-A1657 WeakPolarHBondContact CB-O 3.05Å; G1640-A1657 PolarHBondContact N-O 2.04Å |
| 1658 | N | 74.1 | Confident | 77.8 | Confident | 92 Ų | 92 | 70.7 Ų | 70.7 | 49% | 0.492 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -41.6 | -175.3 | -50.1 | 53.2 | 0 | 0 | 0 | 111.8 | S1656 | S1656-N1658 PolarHBondContact O-N 3.28Š|
| 1659 | I | 75.6 | Confident | 77.4 | Confident | 128 Ų | 128 | 70 Ų | 70 | 66% | 0.656 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.6 | -20.5 | -164.4 | -62 | 161.7 | 0 | 0 | 0 | 112.4 | S1656 N1661 | S1656-I1659 PolarHBondContact O-N 2.85Å; I1659-N1661 VanDerWaalsContact C-N 3.3Å; I1659-N1661 HydrophobicContact CG2-CB 4.35Å; I1659-N1661 PolarHBondContact O-N 2.87Å |
| 1660 | G | 74 | Confident | 76.7 | Confident | 13 Ų | 13 | 69.6 Ų | 69.6 | 13% | 0.134 | 40% | 0.401 | C | S | . | . | trans | 80.3 | 3.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y1639 C1647 S1656 | Y1639-G1660 VanDerWaalsContact CD1-CA 3.48Å; C1647-G1660 PolarHBondContact SG-O 3.08Å; S1656-G1660 VanDerWaalsContact O-CA 3.31Å; S1656-G1660 WeakPolarHBondContact O-CA 3.25Å; S1656-G1660 PolarHBondContact O-N 2.95Å | ||
| 1661 | N | 83.3 | Confident | 76.3 | Confident | 96 Ų | 96 | 70.2 Ų | 70.2 | 51% | 0.513 | 41% | 0.413 | S | S | . | . | trans | -71 | 144.6 | 179 | -163.1 | 11.2 | 0 | 0 | 0 | 111.5 | S1656 I1659 | S1656-N1661 PolarHBondContact N-O 3.17Å; I1659-N1661 VanDerWaalsContact C-N 3.3Å; I1659-N1661 HydrophobicContact CG2-CB 4.35Å; I1659-N1661 PolarHBondContact O-N 2.87Å | ||
| 1662 | C | 83.7 | Confident | 76.6 | Confident | 10 Ų | 10 | 68.9 Ų | 68.9 | 7% | 0.068 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 116 | -179.3 | -64 | 0 | 0 | 0 | 0 | 110.9 | C1649 A1653 C1664 | C1649-C1662 WeakPolarHBondContact CA-SG 3.07Å; C1649-C1662 HydrophobicContact CB-CB 3.82Å; C1649-C1662 WeakPolarHBondContact CB-SG 3.4Å; C1649-C1662 WeakPolarHBondContact SG-CB 3.07Å; C1649-C1662 CovalentContact SG-SG 2.04Å; C1649-C1662 PolarHBondContact SG-SG 3.2Å; A1653-C1662 HydrophobicContact CB-CB 4.26Å; C1662-C1664 PolarHBondContact O-N 2.94Å; C1662-C1664 VanDerWaalsContact O-N 3.17Å |
| 1663 | N | 84.8 | Confident | 76.9 | Confident | 106 Ų | 106 | 61.8 Ų | 61.8 | 57% | 0.567 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 100.4 | 174.3 | -72.1 | -27.6 | 0 | 0 | 0 | 110.3 | A1653 I1654 | A1653-N1663 VanDerWaalsContact CA-O 3.31Å; A1653-N1663 WeakPolarHBondContact CA-O 3.04Å; A1653-N1663 VanDerWaalsContact CB-O 3.28Å; A1653-N1663 WeakPolarHBondContact CB-O 3.03Å; I1654-N1663 HydrophobicContact CB-CB 4.42Å; I1654-N1663 PolarHBondContact N-O 2.03Å; I1654-N1663 PolarHBondContact O-N 3.47Å |
| 1664 | C | 78.6 | Confident | 77 | Confident | 49 Ų | 49 | 63.6 Ų | 63.6 | 33% | 0.331 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 148.4 | -177.7 | -51.9 | 0 | 0 | 0 | 0 | 113.7 | C1662 F1668 C1673 | C1662-C1664 PolarHBondContact O-N 2.94Å; C1662-C1664 VanDerWaalsContact O-N 3.17Å; C1664-F1668 HydrophobicContact CB-CB 4.45Å; C1664-F1668 WeakPolarHBondContact CB-O 3.01Å; C1664-C1673 WeakPolarHBondContact CA-SG 3.45Å; C1664-C1673 HydrophobicContact CB-CB 3.69Å; C1664-C1673 WeakPolarHBondContact CB-SG 3.33Å; C1664-C1673 PolarHBondContact N-SG 3.21Å; C1664-C1673 VanDerWaalsContact SG-CA 3.57Å; C1664-C1673 WeakPolarHBondContact SG-CB 3.04Å; C1664-C1673 CovalentContact SG-SG 2.03Å; C1664-C1673 PolarHBondContact SG-SG 2.04Å |
| 1665 | L | 77.8 | Confident | 76.5 | Confident | 91 Ų | 91 | 62.2 Ų | 62.2 | 48% | 0.476 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -78.5 | 152.4 | 168.2 | -78.9 | 167.3 | 0 | 0 | 0 | 110.9 | N1652 G1667 F1668 | N1652-L1665 HydrophobicContact CB-CD1 4.27Å; L1665-G1667 PolarHBondContact O-N 3.47Å; L1665-F1668 PolarHBondContact O-N 2.86Å |
| 1666 | P | 74.3 | Confident | 75.8 | Confident | 126 Ų | 126 | 64.3 Ų | 64.3 | 82% | 0.818 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 135.4 | -179.7 | -26.4 | 35.1 | 0 | 0 | 0 | 113.2 | ||
| 1667 | G | 67.9 | Low | 74.6 | Confident | 34 Ų | 34 | 66.2 Ų | 66.2 | 35% | 0.351 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.6 | -18.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114 | L1665 N1676 S1677 | L1665-G1667 PolarHBondContact O-N 3.47Å; G1667-N1676 WeakPolarHBondContact O-CA 3.31Å; G1667-N1676 PolarHBondContact O-OD1 3.06Å; G1667-S1677 PolarHBondContact O-N 3.43Å; G1667-S1677 PolarHBondContact O-OG 3.19Å |
| 1668 | F | 73.5 | Confident | 73.6 | Confident | 67 Ų | 67 | 72.9 Ų | 72.9 | 29% | 0.294 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 139 | 178.9 | -63.3 | -81.8 | 0 | 0 | 0 | 112.8 | N1651 C1664 L1665 C1673 I1675 N1676 | N1651-F1668 HydrophobicContact CB-CD1 4.23Å; N1651-F1668 HydrophobicContact CB-CD2 4.34Å; N1651-F1668 HydrophobicContact CB-CE1 4.3Å; N1651-F1668 HydrophobicContact CB-CE2 4.41Å; N1651-F1668 HydrophobicContact CB-CG 4.25Å; N1651-F1668 HydrophobicContact CB-CZ 4.38Å; N1651-F1668 VanDerWaalsContact ND2-CD1 3.31Å; N1651-F1668 WeakPolarHBondContact ND2-CD1 3.03Å; N1651-F1668 VanDerWaalsContact ND2-CE1 3.35Å; N1651-F1668 WeakPolarHBondContact ND2-CE1 3.31Å; C1664-F1668 HydrophobicContact CB-CB 4.45Å; C1664-F1668 WeakPolarHBondContact CB-O 3.01Å; L1665-F1668 PolarHBondContact O-N 2.86Å; F1668-C1673 HydrophobicContact CB-CB 4.35Å; F1668-I1675 CarbonylContact C-O 3.48Å; F1668-I1675 WeakPolarHBondContact CA-O 3.29Å; F1668-N1676 HydrophobicContact CE1-CB 4.39Å |
| 1669 | I | 72.6 | Confident | 72.4 | Confident | 91 Ų | 91 | 76.3 Ų | 76.3 | 47% | 0.467 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 176.1 | 179.7 | 59.5 | 178.8 | 0 | 0 | 0 | 110.5 | C1673 I1675 | I1669-C1673 CarbonylContact O-C 3.4Å; I1669-C1673 WeakPolarHBondContact O-CA 3.34Å; I1669-I1675 HydrophobicContact CD1-CG2 4.35Å; I1669-I1675 HydrophobicContact CG1-CB 3.92Å; I1669-I1675 HydrophobicContact CG1-CG2 3.93Å; I1669-I1675 WeakPolarHBondContact CG1-O 3.28Å; I1669-I1675 PolarHBondContact N-O 2.97Å; I1669-I1675 WeakPolarHBondContact O-CB 3.31Å; I1669-I1675 PolarHBondContact O-N 3.2Å |
| 1670 | G | 67.6 | Low | 70.4 | Confident | 30 Ų | 30 | 77.2 Ų | 77.2 | 31% | 0.309 | 44% | 0.443 | S | S | . | . | S | Bend | trans | 92.2 | 162.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | D1672 C1673 | G1670-D1672 VanDerWaalsContact C-N 3.26Å; G1670-D1672 PolarHBondContact O-N 2.9Å; G1670-C1673 PolarHBondContact O-N 3.32Å; G1670-C1673 VanDerWaalsContact O-N 3.08Å |
| 1671 | P | 70.9 | Confident | 68.5 | Low | 112 Ų | 112 | 85.2 Ų | 85.2 | 73% | 0.727 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -22 | -169.9 | 28.3 | -35.9 | 0 | 0 | 0 | 114.2 | ||
| 1672 | D | 82.9 | Confident | 66.1 | Low | 38 Ų | 38 | 89.2 Ų | 89.2 | 20% | 0.203 | 50% | 0.495 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | 4.4 | 174.5 | 71 | -23.8 | 0 | 0 | 0 | 112.6 | S1648 Q1650 G1670 S1674 | S1648-D1672 VanDerWaalsContact O-CB 3.3Å; S1648-D1672 WeakPolarHBondContact O-CB 3.07Å; Q1650-D1672 WeakPolarHBondContact CA-O 3.49Å; Q1650-D1672 WeakPolarHBondContact CB-O 3.21Å; Q1650-D1672 HydrophobicContact CG-CB 4.38Å; Q1650-D1672 PolarHBondContact N-O 2.81Å; Q1650-D1672 PolarHBondContact NE2-OD2 2.03Å; G1670-D1672 VanDerWaalsContact C-N 3.26Å; G1670-D1672 PolarHBondContact O-N 2.9Å; D1672-S1674 VanDerWaalsContact C-N 3.28Å; D1672-S1674 VanDerWaalsContact CG-OG 3.3Å; D1672-S1674 PolarHBondContact O-N 3.35Å; D1672-S1674 VanDerWaalsContact OD1-CB 3.24Å; D1672-S1674 WeakPolarHBondContact OD1-CB 3.47Å; D1672-S1674 PolarHBondContact OD1-N 3.09Å; D1672-S1674 PolarHBondContact OD1-OG 3.01Å; D1672-S1674 VanDerWaalsContact OD2-CB 3.3Å; D1672-S1674 WeakPolarHBondContact OD2-CB 3.35Å; D1672-S1674 PolarHBondContact OD2-OG 3.07Å |
| 1673 | C | 82.7 | Confident | 63.5 | Low | 0 Ų | 0 | 95.9 Ų | 95.9 | 0% | 0 | 53% | 0.53 | C | S | . | . | S | Bend | trans | 60.3 | 26.8 | -174.3 | -47.8 | 0 | 0 | 0 | 0 | 115.2 | N1651 A1653 C1664 F1668 I1669 G1670 | N1651-C1673 PolarHBondContact ND2-O 2.97Å; A1653-C1673 HydrophobicContact CB-CB 3.81Å; A1653-C1673 WeakPolarHBondContact CB-SG 3.35Å; C1664-C1673 WeakPolarHBondContact CA-SG 3.45Å; C1664-C1673 HydrophobicContact CB-CB 3.69Å; C1664-C1673 WeakPolarHBondContact CB-SG 3.33Å; C1664-C1673 PolarHBondContact N-SG 3.21Å; C1664-C1673 VanDerWaalsContact SG-CA 3.57Å; C1664-C1673 WeakPolarHBondContact SG-CB 3.04Å; C1664-C1673 CovalentContact SG-SG 2.03Å; C1664-C1673 PolarHBondContact SG-SG 2.04Å; F1668-C1673 HydrophobicContact CB-CB 4.35Å; I1669-C1673 CarbonylContact O-C 3.4Å; I1669-C1673 WeakPolarHBondContact O-CA 3.34Å; G1670-C1673 PolarHBondContact O-N 3.32Å; G1670-C1673 VanDerWaalsContact O-N 3.08Å |
| 1674 | S | 77.6 | Confident | 61 | Low | 50 Ų | 50 | 100.4 Ų | 100.4 | 35% | 0.35 | 55% | 0.547 | S | S | . | . | trans | -77.8 | -25.6 | 178.8 | 57.3 | 0 | 0 | 0 | 0 | 115.2 | D1672 | D1672-S1674 VanDerWaalsContact C-N 3.28Å; D1672-S1674 VanDerWaalsContact CG-OG 3.3Å; D1672-S1674 PolarHBondContact O-N 3.35Å; D1672-S1674 VanDerWaalsContact OD1-CB 3.24Å; D1672-S1674 WeakPolarHBondContact OD1-CB 3.47Å; D1672-S1674 PolarHBondContact OD1-N 3.09Å; D1672-S1674 PolarHBondContact OD1-OG 3.01Å; D1672-S1674 VanDerWaalsContact OD2-CB 3.3Å; D1672-S1674 WeakPolarHBondContact OD2-CB 3.35Å; D1672-S1674 PolarHBondContact OD2-OG 3.07Å | ||
| 1675 | I | 68.6 | Low | 58.8 | Low | 90 Ų | 90 | 106.7 Ų | 106.7 | 46% | 0.462 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.8 | 121.3 | -168 | -53.9 | 172.2 | 0 | 0 | 0 | 109.9 | F1668 I1669 | F1668-I1675 CarbonylContact C-O 3.48Å; F1668-I1675 WeakPolarHBondContact CA-O 3.29Å; I1669-I1675 HydrophobicContact CD1-CG2 4.35Å; I1669-I1675 HydrophobicContact CG1-CB 3.92Å; I1669-I1675 HydrophobicContact CG1-CG2 3.93Å; I1669-I1675 WeakPolarHBondContact CG1-O 3.28Å; I1669-I1675 PolarHBondContact N-O 2.97Å; I1669-I1675 WeakPolarHBondContact O-CB 3.31Å; I1669-I1675 PolarHBondContact O-N 3.2Å |
| 1676 | N | 66.7 | Low | 56.8 | Low | 71 Ų | 71 | 107.5 Ų | 107.5 | 38% | 0.38 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.8 | 131.7 | 172.1 | -175.7 | 0.1 | 0 | 0 | 0 | 110.5 | G1667 F1668 E1678 | G1667-N1676 WeakPolarHBondContact O-CA 3.31Å; G1667-N1676 PolarHBondContact O-OD1 3.06Å; F1668-N1676 HydrophobicContact CE1-CB 4.39Å; N1676-E1678 VanDerWaalsContact C-N 3.28Å; N1676-E1678 PolarHBondContact O-N 3.19Å |
| 1677 | S | 57.3 | Low | 54.8 | Low | 71 Ų | 71 | 108.7 Ų | 108.7 | 50% | 0.497 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74 | -5.6 | -171.8 | 60.3 | 0 | 0 | 0 | 0 | 115.9 | G1667 | G1667-S1677 PolarHBondContact O-N 3.43Å; G1667-S1677 PolarHBondContact O-OG 3.19Å |
| 1678 | E | 51.2 | Low | 53.4 | Low | 166 Ų | 166 | 115.8 Ų | 115.8 | 78% | 0.776 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 5.7 | -173.1 | -61.2 | -168.1 | 141.5 | 0 | 0 | 115.7 | N1676 | N1676-E1678 VanDerWaalsContact C-N 3.28Å; N1676-E1678 PolarHBondContact O-N 3.19Å |
| 1679 | M | 48.8 | Very low | 51.7 | Low | 164 Ų | 164 | 120.7 Ų | 120.7 | 81% | 0.808 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -120.8 | 89.9 | -173.5 | -63.1 | -169.5 | 75 | 0 | 0 | 114.6 | ||
| 1680 | N | 32.6 | Very low | 49.7 | Very low | 146 Ų | 146 | 125.8 Ų | 125.8 | 78% | 0.781 | 65% | 0.648 | S | S | * | * | trans | 23.2 | 118.7 | 159 | -64.9 | -40.3 | 0 | 0 | 0 | 119.6 | ||||
| 1681 | H | 35 | Very low | 48 | Very low | 181 Ų | 181 | 131.5 Ų | 131.5 | 84% | 0.838 | 67% | 0.666 | S | S | * | * | 46.2 | 91.5 | 79.4 | -82.3 | -71.3 | 0 | 0 | 0 | 115.9 | |||||
| 1682 | M | 32.2 | Very low | 46.2 | Very low | 181 Ų | 181 | 137.4 Ų | 137.4 | 89% | 0.892 | 69% | 0.692 | S | S | * | * | -170.8 | 149.1 | 128.5 | -79.2 | -133.5 | -173.3 | 0 | 0 | 110.4 | |||||
| 1683 | N | 30.8 | Very low | 44.4 | Very low | 150 Ų | 150 | 142.4 Ų | 142.4 | 80% | 0.802 | 72% | 0.716 | S | S | * | * | trans | 6.7 | 137.2 | 167.9 | -62.5 | -10.2 | 0 | 0 | 0 | 121.7 | ||||
| 1684 | E | 31.2 | Very low | 42.3 | Very low | 200 Ų | 200 | 149.9 Ų | 149.9 | 94% | 0.935 | 75% | 0.754 | S | S | * | * | -166.9 | 164.7 | 111.7 | -111.8 | 174.2 | -163 | 0 | 0 | 113.6 | |||||
| 1685 | Q | 32.1 | Very low | 40.4 | Very low | 182 Ų | 182 | 155.4 Ų | 155.4 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | trans | -142.5 | 126.2 | -179.6 | -132.7 | -175.7 | 8.8 | 0 | 0 | 112.3 | ||||
| 1686 | S | 36.2 | Very low | 38.7 | Very low | 107 Ų | 107 | 159.3 Ų | 159.3 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | 57.1 | 119.6 | 160.3 | 62.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1687 | T | 33.3 | Very low | 37 | Very low | 151 Ų | 151 | 164.8 Ų | 164.8 | 93% | 0.926 | 82% | 0.821 | S | S | * | * | -153.4 | 169.1 | 116.7 | 0.1 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 1688 | F | 37.8 | Very low | 35.6 | Very low | 183 Ų | 183 | 171.1 Ų | 171.1 | 80% | 0.803 | 84% | 0.843 | S | S | * | * | trans | -96.8 | 153.1 | -167 | -122 | -122.9 | 0 | 0 | 0 | 113.2 | ||||
| 1689 | K | 36.9 | Very low | 34.5 | Very low | 170 Ų | 170 | 171.4 Ų | 171.4 | 74% | 0.739 | 85% | 0.848 | S | S | * | * | trans | 36.3 | 137.4 | 148.7 | -77.9 | -168.6 | 176.4 | -166.2 | 0 | 120.4 | ||||
| 1690 | Y | 31.9 | Very low | 33.4 | Very low | 199 Ų | 199 | 172 Ų | 172 | 78% | 0.78 | 85% | 0.851 | S | S | * | * | -148.7 | 163.4 | 99.9 | -118.2 | -86.8 | 0 | 0 | 0 | 111.7 | |||||
| 1691 | E | 30.8 | Very low | 33.5 | Very low | 149 Ų | 149 | 174.2 Ų | 174.2 | 70% | 0.696 | 86% | 0.856 | S | S | * | * | trans | -35.8 | 140.1 | -168.7 | -70.3 | 144.7 | 176.9 | 0 | 0 | 119.1 | ||||
| 1692 | N | 33.5 | Very low | 33.3 | Very low | 237 Ų | 237 | 173.5 Ų | 173.5 | 100% | 1.267 | 86% | 0.858 | S | S | * | * | -107.5 | 0 | 82.9 | -103.1 | -1 | 0 | 0 | 0 | 108.8 |
Retrieved 1,692 of 1,692 residues in 2766.1 ms
(Link to these results)