| 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 | 35.2 | Very low | 239 Ų | 239 | 137.8 Ų | 137.8 | 100% | 1.177 | 75% | 0.749 | S | S | * | * | 0 | 126.8 | 0 | -63 | 173.7 | -168.8 | 0 | 0 | 106.3 | |||||
| 2 | S | 35.3 | Very low | 34.7 | Very low | 113 Ų | 113 | 143.3 Ų | 143.3 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | 64 | 127.4 | 88.8 | -143.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 3 | S | 34.6 | Very low | 36.4 | Very low | 88 Ų | 88 | 140.5 Ų | 140.5 | 62% | 0.615 | 76% | 0.755 | S | S | * | * | cis | -165.9 | 137.1 | -7.2 | 26.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 4 | S | 38.5 | Very low | 36 | Very low | 93 Ų | 93 | 144.1 Ų | 144.1 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | 31.9 | 134.6 | 117.7 | -39.7 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 5 | F | 34.7 | Very low | 35.6 | Very low | 169 Ų | 169 | 142.3 Ų | 142.3 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | 164.6 | 116.1 | 111.4 | -95.5 | -93.2 | 0 | 0 | 0 | 106.5 | |||||
| 6 | F | 37.4 | Very low | 35.3 | Very low | 165 Ų | 165 | 140.7 Ų | 140.7 | 72% | 0.724 | 76% | 0.755 | S | S | * | * | 71.5 | 156.8 | 77.1 | -83.1 | -59.8 | 0 | 0 | 0 | 112.4 | |||||
| 7 | I | 38.4 | Very low | 35.1 | Very low | 104 Ų | 104 | 143.1 Ų | 143.1 | 53% | 0.533 | 76% | 0.757 | S | S | . | * | cis | -159.6 | 136.3 | 23.5 | -142.2 | 150.3 | 0 | 0 | 0 | 114.7 | ||||
| 8 | K | 34.9 | Very low | 34.9 | Very low | 157 Ų | 157 | 147.1 Ų | 147.1 | 68% | 0.683 | 77% | 0.767 | S | S | * | * | trans | 56 | 178.5 | 144.8 | -66.9 | 172.1 | -158.7 | 155.6 | 0 | 119.2 | ||||
| 9 | T | 34.6 | Very low | 34.7 | Very low | 112 Ų | 112 | 143.5 Ų | 143.5 | 69% | 0.687 | 77% | 0.77 | S | S | * | * | cis | -151.5 | 128.1 | 2.7 | -7.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 10 | K | 33.4 | Very low | 34.5 | Very low | 203 Ų | 203 | 145.6 Ų | 145.6 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | 68.7 | 132.7 | 89.8 | -69.1 | -170.2 | 179.4 | -176 | 0 | 119.4 | |||||
| 11 | G | 27.6 | Very low | 34.4 | Very low | 73 Ų | 73 | 146 Ų | 146 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | trans | 137.3 | 116.1 | 158.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 12 | K | 29.8 | Very low | 34 | Very low | 203 Ų | 203 | 140.7 Ų | 140.7 | 88% | 0.883 | 75% | 0.75 | S | S | * | * | cis | 68.3 | 146.1 | 13.5 | -84.2 | -161.2 | 177.7 | -170.4 | 0 | 116.6 | ||||
| 13 | P | 56 | Low | 33.7 | Very low | 108 Ų | 108 | 139.9 Ų | 139.9 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | cis | -144.6 | -173.1 | -48.2 | 40.2 | -21.1 | 0 | 0 | 0 | 113.6 | ||||
| 14 | K | 30.7 | Very low | 33.5 | Very low | 191 Ų | 191 | 139.8 Ų | 139.8 | 83% | 0.83 | 76% | 0.755 | S | S | * | * | trans | -177.2 | 124.2 | 154.7 | -97.7 | 146.7 | -177.9 | -177.8 | 0 | 108.8 | ||||
| 15 | T | 31.1 | Very low | 33.1 | Very low | 117 Ų | 117 | 141.5 Ų | 141.5 | 72% | 0.718 | 76% | 0.761 | S | S | * | * | 61.1 | 125.3 | 67.1 | 68.9 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 16 | T | 30.2 | Very low | 32.9 | Very low | 116 Ų | 116 | 141.6 Ų | 141.6 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | -172.2 | 174.3 | 59.6 | 41.9 | 0 | 0 | 0 | 0 | 111 | |||||
| 17 | K | 32.8 | Very low | 32.5 | Very low | 182 Ų | 182 | 143.7 Ų | 143.7 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | cis | -170.9 | 138.3 | -5.1 | -108.1 | 162.2 | -174.9 | 175.1 | 0 | 109.4 | ||||
| 18 | K | 31.5 | Very low | 32 | Very low | 215 Ų | 215 | 148.1 Ų | 148.1 | 94% | 0.935 | 78% | 0.78 | S | S | * | * | trans | 61.8 | 165.5 | 159.8 | -64 | -173 | 174.6 | -171.5 | 0 | 117.2 | ||||
| 19 | G | 29.3 | Very low | 31.8 | Very low | 79 Ų | 79 | 143.6 Ų | 143.6 | 81% | 0.814 | 77% | 0.771 | S | S | * | * | cis | -144.7 | -150.3 | 8.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 20 | K | 32.3 | Very low | 31.5 | Very low | 185 Ų | 185 | 145.7 Ų | 145.7 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -129 | 176.5 | -159.4 | -128.9 | -171.1 | 179.8 | -163.6 | 0 | 112.8 | ||||
| 21 | E | 30.8 | Very low | 31.2 | Very low | 154 Ų | 154 | 139.8 Ų | 139.8 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | 68.9 | 158.8 | 166.8 | -75.2 | 134.5 | -127.3 | 0 | 0 | 116.9 | ||||
| 22 | T | 29.8 | Very low | 31.3 | Very low | 128 Ų | 128 | 143.5 Ų | 143.5 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | 174.7 | 156.5 | -54 | 31.1 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 23 | A | 29.8 | Very low | 31.3 | Very low | 95 Ų | 95 | 138.7 Ų | 138.7 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | 82.6 | 116.3 | 158.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 24 | A | 29.5 | Very low | 29.9 | Very low | 87 Ų | 87 | 137.7 Ų | 137.7 | 72% | 0.719 | 78% | 0.779 | S | S | * | * | 71.9 | 105.6 | 118.1 | 0 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 25 | V | 31.5 | Very low | 29.8 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | 64 | 146.5 | 108.4 | 166.2 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 26 | K | 29.2 | Very low | 29.9 | Very low | 171 Ų | 171 | 135.5 Ų | 135.5 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | trans | 77.6 | 156.2 | 171.5 | -77.6 | 158.6 | -177.7 | 175.9 | 0 | 115.9 | ||||
| 27 | R | 28.8 | Very low | 30.1 | Very low | 210 Ų | 210 | 134.8 Ų | 134.8 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | cis | -179.1 | 150.9 | -30.2 | -114 | -171 | -168.9 | 167.1 | -0.7 | 106.5 | ||||
| 28 | K | 29.4 | Very low | 30.2 | Very low | 197 Ų | 197 | 134.6 Ų | 134.6 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | trans | 63.6 | 165.6 | 158.1 | -78 | -157.4 | 165.7 | -155.8 | 0 | 116.1 | ||||
| 29 | A | 29.2 | Very low | 30.3 | Very low | 62 Ų | 62 | 131.4 Ų | 131.4 | 51% | 0.512 | 78% | 0.776 | S | S | . | * | cis | -168.3 | 170.3 | -29.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 30 | D | 29.2 | Very low | 30.3 | Very low | 155 Ų | 155 | 139.5 Ų | 139.5 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | trans | 64.4 | 129.7 | 161.1 | -43.8 | -40 | 0 | 0 | 0 | 115.4 | ||||
| 31 | G | 27.1 | Very low | 30.4 | Very low | 80 Ų | 80 | 134.3 Ų | 134.3 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | 103.1 | 144.6 | 81 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 32 | D | 29.6 | Very low | 30.6 | Very low | 151 Ų | 151 | 136.7 Ų | 136.7 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | cis | -161.1 | 171 | 1.7 | 178.3 | 34.1 | 0 | 0 | 0 | 109.6 | ||||
| 33 | S | 29.4 | Very low | 30.8 | Very low | 101 Ų | 101 | 140.2 Ų | 140.2 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | 73.9 | 113.4 | 153.3 | 74.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 34 | G | 26.4 | Very low | 30.9 | Very low | 88 Ų | 88 | 141.2 Ų | 141.2 | 91% | 0.907 | 79% | 0.787 | S | S | * | * | 71.3 | 114 | 115.2 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 35 | G | 28.6 | Very low | 31 | Very low | 79 Ų | 79 | 142.2 Ų | 142.2 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | trans | -161.2 | 56.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 36 | Q | 33.2 | Very low | 31.1 | Very low | 182 Ų | 182 | 141.2 Ų | 141.2 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | 27.9 | 126.1 | 158.9 | -58.8 | -169.8 | 10.2 | 0 | 0 | 123.2 | ||||
| 37 | S | 33.8 | Very low | 31.3 | Very low | 101 Ų | 101 | 142.1 Ų | 142.1 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | 76.2 | 155.1 | 132.8 | 82.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 38 | K | 35.5 | Very low | 31.5 | Very low | 179 Ų | 179 | 141.2 Ų | 141.2 | 78% | 0.778 | 79% | 0.789 | S | S | * | * | cis | -162.3 | 132.2 | -11.8 | -117.3 | 171.5 | -175.2 | 173 | 0 | 112.5 | ||||
| 39 | I | 34.8 | Very low | 31.7 | Very low | 148 Ų | 148 | 138 Ų | 138 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | trans | 50.7 | 119.8 | 139.3 | -55.5 | 167.3 | 0 | 0 | 0 | 121.9 | ||||
| 40 | R | 29.6 | Very low | 32 | Very low | 248 Ų | 248 | 142.8 Ų | 142.8 | 94% | 0.936 | 79% | 0.793 | S | S | * | * | trans | -166.1 | 140.5 | 134.7 | -110.8 | -176.4 | 157.5 | 178.6 | -6.2 | 109 | ||||
| 41 | A | 33.8 | Very low | 32.2 | Very low | 77 Ų | 77 | 143.2 Ų | 143.2 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | cis | -163.3 | 154 | -21.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 42 | K | 35.6 | Very low | 32.8 | Very low | 204 Ų | 204 | 146 Ų | 146 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | trans | 43.4 | 123.3 | 158.7 | -61.5 | 179 | 179.1 | -177.2 | 0 | 119.7 | ||||
| 43 | K | 33.7 | Very low | 32.8 | Very low | 201 Ų | 201 | 143.9 Ų | 143.9 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | 73.3 | 112.2 | 55.7 | -87 | -160.9 | 169.7 | -172.2 | 0 | 116.5 | |||||
| 44 | S | 30.8 | Very low | 33.2 | Very low | 117 Ų | 117 | 144.3 Ų | 144.3 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | -108.3 | -156.5 | 127 | 61.7 | 0 | 0 | 0 | 0 | 109 | |||||
| 45 | S | 31.7 | Very low | 33.5 | Very low | 108 Ų | 108 | 147.2 Ų | 147.2 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | -163.3 | 155.7 | -173.3 | 49 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 46 | S | 34 | Very low | 34.1 | Very low | 106 Ų | 106 | 147.8 Ų | 147.8 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | trans | -64.1 | 148.2 | 166.6 | 163.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 47 | K | 33 | Very low | 34.2 | Very low | 190 Ų | 190 | 147.4 Ų | 147.4 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | trans | -166.1 | 123.2 | 130.4 | -112.1 | -175.1 | 174.6 | -165.6 | 0 | 114.4 | ||||
| 48 | Y | 32.8 | Very low | 34.3 | Very low | 191 Ų | 191 | 149.7 Ų | 149.7 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | trans | 51.8 | 141.9 | 136.5 | -84.4 | -110.5 | 0 | 0 | 0 | 123.6 | ||||
| 49 | N | 34 | Very low | 34.2 | Very low | 131 Ų | 131 | 149.8 Ų | 149.8 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | 21.6 | 151.9 | 141.6 | -52.3 | 12.5 | 0 | 0 | 0 | 120.2 | ||||
| 50 | E | 34.5 | Very low | 34.4 | Very low | 162 Ų | 162 | 147.5 Ų | 147.5 | 76% | 0.757 | 78% | 0.779 | S | S | * | * | cis | -156.6 | 153.7 | 47.3 | -75.1 | 171.7 | 163.3 | 0 | 0 | 113.4 | ||||
| 51 | E | 34.9 | Very low | 34.9 | Very low | 164 Ų | 164 | 141.6 Ų | 141.6 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | trans | 49.8 | 156.3 | 132 | -60.5 | -171.1 | 177.8 | 0 | 0 | 122.7 | ||||
| 52 | I | 38.6 | Very low | 35 | Very low | 139 Ų | 139 | 143.9 Ų | 143.9 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | cis | -162.9 | 173.6 | -10.2 | -112.5 | 170.5 | 0 | 0 | 0 | 110.5 | ||||
| 53 | S | 30.4 | Very low | 34.8 | Very low | 106 Ų | 106 | 140.6 Ų | 140.6 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | 78.2 | 135.7 | 168.1 | -125.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 54 | S | 37 | Very low | 35 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | cis | 84.3 | 104.9 | 15.8 | -164.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 55 | D | 34.3 | Very low | 35.1 | Very low | 149 Ų | 149 | 140.6 Ų | 140.6 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | -161.3 | 160.3 | 132.4 | -140.4 | -21.8 | 0 | 0 | 0 | 113.8 | ||||
| 56 | S | 40.1 | Very low | 35.1 | Very low | 91 Ų | 91 | 145 Ų | 145 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | trans | -22.1 | 173.6 | 160.4 | 52.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 57 | E | 36.1 | Very low | 35.1 | Very low | 173 Ų | 173 | 151.9 Ų | 151.9 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | cis | -170.1 | 160.3 | -27.4 | -96.5 | -155 | 157.1 | 0 | 0 | 107.7 | ||||
| 58 | V | 35.4 | Very low | 35.1 | Very low | 150 Ų | 150 | 152 Ų | 152 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | trans | -146.8 | 136.7 | 159.4 | -172 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 59 | E | 33.9 | Very low | 35.4 | Very low | 180 Ų | 180 | 147.8 Ų | 147.8 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | trans | -81.1 | 165.2 | -172.6 | -63.9 | -175.5 | 107.1 | 0 | 0 | 116.6 | ||||
| 60 | S | 37.3 | Very low | 35.4 | Very low | 101 Ų | 101 | 151 Ų | 151 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | trans | -83.3 | 167.9 | 173.2 | 66.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 61 | P | 41.5 | Very low | 35.7 | Very low | 124 Ų | 124 | 152.4 Ų | 152.4 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | trans | -113.1 | 151.2 | 142.1 | 35.4 | -29.3 | 0 | 0 | 0 | 113 | ||||
| 62 | T | 35 | Very low | 36.1 | Very low | 124 Ų | 124 | 153.1 Ų | 153.1 | 76% | 0.761 | 82% | 0.816 | S | S | * | * | trans | -82.1 | 166.7 | 173 | 63.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 63 | V | 31.7 | Very low | 36.2 | Very low | 136 Ų | 136 | 153.7 Ų | 153.7 | 82% | 0.824 | 82% | 0.819 | S | S | * | * | -152.5 | 156 | 77.4 | 164.7 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 64 | S | 37.3 | Very low | 37 | Very low | 106 Ų | 106 | 157.5 Ų | 157.5 | 74% | 0.741 | 83% | 0.825 | S | S | * | * | trans | -62.9 | 153.1 | -167 | 57.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 65 | K | 33.2 | Very low | 37.6 | Very low | 211 Ų | 211 | 160.8 Ų | 160.8 | 92% | 0.917 | 83% | 0.826 | S | S | * | * | trans | -149.9 | 154.9 | 138.5 | -114.4 | 162.7 | -173.1 | 170.7 | 0 | 111.9 | ||||
| 66 | K | 31.2 | Very low | 38.3 | Very low | 202 Ų | 202 | 162.6 Ų | 162.6 | 88% | 0.878 | 83% | 0.829 | S | S | * | * | trans | -55.9 | 142 | -164.6 | -67.6 | 172.4 | 172.9 | 177.7 | 0 | 114.8 | ||||
| 67 | R | 34.9 | Very low | 39.1 | Very low | 250 Ų | 250 | 161.6 Ų | 161.6 | 94% | 0.943 | 82% | 0.815 | S | S | * | * | trans | -56.4 | 132.6 | 153.6 | -83.1 | 177.5 | 164.7 | 167.4 | -6.7 | 110 | ||||
| 68 | Q | 32.4 | Very low | 41.2 | Very low | 192 Ų | 192 | 156.2 Ų | 156.2 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | -120.2 | 142.1 | 145.7 | -87.6 | -175.5 | -40.3 | 0 | 0 | 107.1 | ||||
| 69 | A | 40.1 | Very low | 43.2 | Very low | 103 Ų | 103 | 154.1 Ų | 154.1 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | trans | -76.7 | 135.6 | -173 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 70 | K | 34.3 | Very low | 44.8 | Very low | 199 Ų | 199 | 153.1 Ų | 153.1 | 87% | 0.865 | 78% | 0.779 | S | S | * | * | trans | -130.7 | 132.6 | 148.8 | -105.8 | -175.7 | 170.8 | -173.6 | 0 | 106.6 | E72 | K70-E72 PolarHBondContact O-N 3.2Š| ||
| 71 | E | 40.8 | Very low | 46.8 | Very low | 191 Ų | 191 | 153.4 Ų | 153.4 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | trans | -82.2 | 93.8 | 179.7 | -66 | 166.4 | 136.1 | 0 | 0 | 108.3 | ||||
| 72 | E | 41.8 | Very low | 48.5 | Very low | 178 Ų | 178 | 153.3 Ų | 153.3 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | trans | -82.6 | 122.7 | 158.4 | -69.7 | -173 | 166.5 | 0 | 0 | 107.4 | K70 E74 | K70-E72 PolarHBondContact O-N 3.2Å; E72-E74 VanDerWaalsContact C-N 3.33Å; E72-E74 PolarHBondContact O-N 2.97Å | ||
| 73 | I | 41.6 | Very low | 50.7 | Low | 152 Ų | 152 | 155 Ų | 155 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | trans | -76.9 | 90.8 | -179.8 | -60.2 | 174.5 | 0 | 0 | 0 | 107.2 | F75 | I73-F75 VanDerWaalsContact C-N 3.3Å; I73-F75 HydrophobicContact CG2-CD2 4.41Å; I73-F75 PolarHBondContact O-N 3.41Å | ||
| 74 | E | 47 | Very low | 53 | Low | 185 Ų | 185 | 153.2 Ų | 153.2 | 86% | 0.864 | 74% | 0.738 | S | S | * | * | trans | -68.7 | 87.4 | 175.4 | -170.2 | 164.5 | -146.5 | 0 | 0 | 109.7 | E72 E76 | E72-E74 VanDerWaalsContact C-N 3.33Å; E72-E74 PolarHBondContact O-N 2.97Å; E74-E76 PolarHBondContact O-N 2.9Å | ||
| 75 | F | 49.3 | Very low | 55.3 | Low | 179 Ų | 179 | 154.4 Ų | 154.4 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | trans | -63.4 | 124.3 | 162.9 | -117.5 | -94 | 0 | 0 | 0 | 108 | I73 E77 | I73-F75 VanDerWaalsContact C-N 3.3Å; I73-F75 HydrophobicContact CG2-CD2 4.41Å; I73-F75 PolarHBondContact O-N 3.41Å; F75-E77 PolarHBondContact O-N 2.78Å | ||
| 76 | E | 50 | Low | 57.8 | Low | 187 Ų | 187 | 149.3 Ų | 149.3 | 87% | 0.874 | 71% | 0.708 | S | S | * | * | trans | -69.5 | 74.6 | 172 | -66.9 | -171.4 | 137.7 | 0 | 0 | 110.2 | E74 T78 | E74-E76 PolarHBondContact O-N 2.9Å; E76-T78 PolarHBondContact O-N 2.71Å | ||
| 77 | E | 56.2 | Low | 60.3 | Low | 71 Ų | 71 | 142.1 Ų | 142.1 | 33% | 0.332 | 69% | 0.686 | S | S | . | * | trans | -53.3 | 124.3 | 170 | -77.9 | -172.4 | 166.4 | 0 | 0 | 109.1 | F75 K82 R85 | F75-E77 PolarHBondContact O-N 2.78Å; E77-K82 HydrophobicContact CB-CB 4.44Å; E77-R85 VanDerWaalsContact CD-NH1 3.31Å; E77-R85 WeakPolarHBondContact OE1-CD 3.32Å; E77-R85 IonicContact OE1-CZ 3.68Å; E77-R85 IonicContact OE1-NE 2.71Å; E77-R85 IonicContact OE1-NH1 2.71Å; E77-R85 PolarHBondContact OE1-NH1 2.9Å; E77-R85 IonicContact OE2-NH1 3.28Å; E77-R85 PolarHBondContact OE2-NH1 3.32Å | ||
| 78 | T | 80.5 | Confident | 62.8 | Low | 60 Ų | 60 | 136 Ų | 136 | 37% | 0.368 | 67% | 0.666 | S | S | . | * | trans | -61.9 | 153.4 | 175.1 | 63.1 | 0 | 0 | 0 | 0 | 110.3 | E76 Q80 E81 K82 | E76-T78 PolarHBondContact O-N 2.71Å; T78-Q80 PolarHBondContact O-N 3.28Å; T78-E81 VanDerWaalsContact CB-OE2 3.27Å; T78-E81 WeakPolarHBondContact CB-OE2 3.34Å; T78-E81 VanDerWaalsContact CG2-OE2 3.28Å; T78-E81 WeakPolarHBondContact CG2-OE2 3.49Å; T78-E81 PolarHBondContact N-OE2 3.35Å; T78-E81 PolarHBondContact O-N 2.62Å; T78-E81 VanDerWaalsContact OG1-CD 3.31Å; T78-E81 WeakPolarHBondContact OG1-CG 3.36Å; T78-E81 PolarHBondContact OG1-N 2.92Å; T78-E81 PolarHBondContact OG1-OE2 3Å; T78-K82 PolarHBondContact O-N 2.79Å | ||
| 79 | P | 77.1 | Confident | 65.5 | Low | 106 Ų | 106 | 130.7 Ų | 130.7 | 69% | 0.688 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -58.2 | -12.8 | 175.6 | -26.4 | 35.4 | 0 | 0 | 0 | 114.6 | K83 | P79-K83 WeakPolarHBondContact O-CD 3.28Å; P79-K83 VanDerWaalsContact O-CG 3.31Å; P79-K83 WeakPolarHBondContact O-CG 3.27Å |
| 80 | Q | 68.4 | Low | 67.6 | Low | 159 Ų | 159 | 132.7 Ų | 132.7 | 74% | 0.743 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -88.1 | -44.9 | 175.6 | -65.9 | 168.3 | -3.8 | 0 | 0 | 111 | T78 K83 L84 | T78-Q80 PolarHBondContact O-N 3.28Å; Q80-K83 PolarHBondContact O-N 3.05Å; Q80-L84 WeakPolarHBondContact O-CB 3.31Å; Q80-L84 PolarHBondContact O-N 3.02Å |
| 81 | E | 78.1 | Confident | 69.9 | Low | 107 Ų | 107 | 128.1 Ų | 128.1 | 50% | 0.5 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64 | -43.8 | 174.7 | -72.2 | 160.4 | 132.1 | 0 | 0 | 111.9 | T78 K83 L84 R85 | T78-E81 VanDerWaalsContact CB-OE2 3.27Å; T78-E81 WeakPolarHBondContact CB-OE2 3.34Å; T78-E81 VanDerWaalsContact CG2-OE2 3.28Å; T78-E81 WeakPolarHBondContact CG2-OE2 3.49Å; T78-E81 PolarHBondContact N-OE2 3.35Å; T78-E81 PolarHBondContact O-N 2.62Å; T78-E81 VanDerWaalsContact OG1-CD 3.31Å; T78-E81 WeakPolarHBondContact OG1-CG 3.36Å; T78-E81 PolarHBondContact OG1-N 2.92Å; T78-E81 PolarHBondContact OG1-OE2 3Å; E81-K83 VanDerWaalsContact C-N 3.3Å; E81-K83 PolarHBondContact O-N 3.22Å; E81-L84 CarbonylContact O-C 3.54Å; E81-L84 WeakPolarHBondContact O-CA 3.46Å; E81-L84 PolarHBondContact O-N 3.24Å; E81-R85 WeakPolarHBondContact O-CB 3.4Å; E81-R85 PolarHBondContact O-N 3.36Å |
| 82 | K | 78.4 | Confident | 72.2 | Confident | 122 Ų | 122 | 124 Ų | 124 | 53% | 0.53 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -60.7 | -38.3 | 176.6 | -169.3 | 165.9 | -174.8 | 167.6 | 0 | 112.3 | E77 T78 L86 | E77-K82 HydrophobicContact CB-CB 4.44Å; T78-K82 PolarHBondContact O-N 2.79Å; K82-L86 WeakPolarHBondContact O-CG 3.47Å; K82-L86 PolarHBondContact O-N 2.83Å; K82-L86 VanDerWaalsContact O-N 3.1Å |
| 83 | K | 79.9 | Confident | 74.5 | Confident | 158 Ų | 158 | 121.3 Ų | 121.3 | 69% | 0.687 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.1 | -42.1 | 171.4 | -79.9 | 179.3 | 178.9 | -178 | 0 | 112.1 | P79 Q80 E81 R85 L86 A87 | P79-K83 WeakPolarHBondContact O-CD 3.28Å; P79-K83 VanDerWaalsContact O-CG 3.31Å; P79-K83 WeakPolarHBondContact O-CG 3.27Å; Q80-K83 PolarHBondContact O-N 3.05Å; E81-K83 VanDerWaalsContact C-N 3.3Å; E81-K83 PolarHBondContact O-N 3.22Å; K83-R85 VanDerWaalsContact C-N 3.33Å; K83-R85 PolarHBondContact O-N 2.89Å; K83-L86 PolarHBondContact O-N 3.06Å; K83-A87 VanDerWaalsContact O-CB 3.32Å; K83-A87 WeakPolarHBondContact O-CB 3.47Å; K83-A87 PolarHBondContact O-N 2.99Å |
| 84 | L | 81.4 | Confident | 76.5 | Confident | 100 Ų | 100 | 117 Ų | 117 | 52% | 0.524 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.4 | -32.9 | 178.8 | -170.2 | 146.8 | 0 | 0 | 0 | 112 | Q80 E81 K88 | Q80-L84 WeakPolarHBondContact O-CB 3.31Å; Q80-L84 PolarHBondContact O-N 3.02Å; E81-L84 CarbonylContact O-C 3.54Å; E81-L84 WeakPolarHBondContact O-CA 3.46Å; E81-L84 PolarHBondContact O-N 3.24Å; L84-K88 HydrophobicContact CD2-CD 4.03Å; L84-K88 WeakPolarHBondContact O-CG 3.38Å; L84-K88 PolarHBondContact O-N 3.41Å |
| 85 | R | 84.1 | Confident | 78.3 | Confident | 131 Ų | 131 | 114.9 Ų | 114.9 | 49% | 0.494 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.7 | -46.5 | 172.7 | -162.2 | -178.4 | 104.5 | -174.2 | 8.9 | 112 | E77 E81 K83 K88 L89 | E77-R85 VanDerWaalsContact CD-NH1 3.31Å; E77-R85 WeakPolarHBondContact OE1-CD 3.32Å; E77-R85 IonicContact OE1-CZ 3.68Å; E77-R85 IonicContact OE1-NE 2.71Å; E77-R85 IonicContact OE1-NH1 2.71Å; E77-R85 PolarHBondContact OE1-NH1 2.9Å; E77-R85 IonicContact OE2-NH1 3.28Å; E77-R85 PolarHBondContact OE2-NH1 3.32Å; E81-R85 WeakPolarHBondContact O-CB 3.4Å; E81-R85 PolarHBondContact O-N 3.36Å; K83-R85 VanDerWaalsContact C-N 3.33Å; K83-R85 PolarHBondContact O-N 2.89Å; R85-K88 PolarHBondContact O-N 3.03Å; R85-L89 WeakPolarHBondContact O-CG 3.36Å; R85-L89 PolarHBondContact O-N 3.1Å |
| 86 | L | 86.1 | Confident | 80.1 | Confident | 104 Ų | 104 | 111.4 Ų | 111.4 | 55% | 0.545 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 175.3 | -70.6 | 169.3 | 0 | 0 | 0 | 112.1 | K82 K83 L89 Y90 | K82-L86 WeakPolarHBondContact O-CG 3.47Å; K82-L86 PolarHBondContact O-N 2.83Å; K82-L86 VanDerWaalsContact O-N 3.1Å; K83-L86 PolarHBondContact O-N 3.06Å; L86-L89 PolarHBondContact O-N 3.31Å; L86-Y90 WeakPolarHBondContact O-CB 3.48Å; L86-Y90 PolarHBondContact O-N 2.93Å |
| 87 | A | 83.9 | Confident | 81.6 | Confident | 50 Ų | 50 | 108.8 Ų | 108.8 | 41% | 0.413 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.3 | -36.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K83 L91 | K83-A87 VanDerWaalsContact O-CB 3.32Å; K83-A87 WeakPolarHBondContact O-CB 3.47Å; K83-A87 PolarHBondContact O-N 2.99Å; A87-L91 WeakPolarHBondContact O-CB 3.39Å; A87-L91 VanDerWaalsContact O-CG 3.27Å; A87-L91 WeakPolarHBondContact O-CG 3.26Å; A87-L91 PolarHBondContact O-N 3.1Å |
| 88 | K | 86.8 | Confident | 82.6 | Confident | 121 Ų | 121 | 112.2 Ų | 112.2 | 53% | 0.526 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.3 | -50.6 | 171.8 | -80.1 | 174.7 | 174.3 | 177.1 | 0 | 111.9 | L84 R85 Y90 L91 E92 | L84-K88 HydrophobicContact CD2-CD 4.03Å; L84-K88 WeakPolarHBondContact O-CG 3.38Å; L84-K88 PolarHBondContact O-N 3.41Å; R85-K88 PolarHBondContact O-N 3.03Å; K88-Y90 VanDerWaalsContact C-N 3.28Å; K88-Y90 PolarHBondContact O-N 3.32Å; K88-L91 CarbonylContact O-C 3.53Å; K88-L91 PolarHBondContact O-N 3.01Å; K88-E92 WeakPolarHBondContact O-CG 3.36Å; K88-E92 PolarHBondContact O-N 3.4Å |
| 89 | L | 90.3 | Very high | 82.7 | Confident | 82 Ų | 82 | 115.5 Ų | 115.5 | 43% | 0.429 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -57.8 | -40.3 | 178.3 | -73.3 | 165.8 | 0 | 0 | 0 | 112.1 | R85 L86 E92 Q93 | R85-L89 WeakPolarHBondContact O-CG 3.36Å; R85-L89 PolarHBondContact O-N 3.1Å; L86-L89 PolarHBondContact O-N 3.31Å; L89-E92 PolarHBondContact O-N 2.88Å; L89-Q93 WeakPolarHBondContact O-CG 3.27Å; L89-Q93 PolarHBondContact O-N 3.5Å |
| 90 | Y | 83.6 | Confident | 83 | Confident | 144 Ų | 144 | 115.3 Ų | 115.3 | 57% | 0.565 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.8 | -37 | 175.5 | -173.2 | -108.9 | 0 | 0 | 0 | 112.8 | L86 K88 E92 L94 | L86-Y90 WeakPolarHBondContact O-CB 3.48Å; L86-Y90 PolarHBondContact O-N 2.93Å; K88-Y90 VanDerWaalsContact C-N 3.28Å; K88-Y90 PolarHBondContact O-N 3.32Å; Y90-E92 VanDerWaalsContact C-N 3.34Å; Y90-L94 HydrophobicContact CD1-CD1 3.88Å; Y90-L94 HydrophobicContact CE1-CD1 3.49Å; Y90-L94 VanDerWaalsContact CE1-CD1 3.49Å; Y90-L94 HydrophobicContact CE1-CG 4.19Å; Y90-L94 WeakPolarHBondContact O-CB 3.44Å; Y90-L94 WeakPolarHBondContact O-CG 3.32Å; Y90-L94 PolarHBondContact O-N 3.2Å |
| 91 | L | 82.4 | Confident | 83.7 | Confident | 104 Ų | 104 | 113.5 Ų | 113.5 | 55% | 0.545 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71.7 | -26.3 | 173.2 | -73.1 | 168.5 | 0 | 0 | 0 | 113.2 | A87 K88 K95 | A87-L91 WeakPolarHBondContact O-CB 3.39Å; A87-L91 VanDerWaalsContact O-CG 3.27Å; A87-L91 WeakPolarHBondContact O-CG 3.26Å; A87-L91 PolarHBondContact O-N 3.1Å; K88-L91 CarbonylContact O-C 3.53Å; K88-L91 PolarHBondContact O-N 3.01Å; L91-K95 WeakPolarHBondContact O-CB 3.45Å; L91-K95 WeakPolarHBondContact O-CD 3.49Å; L91-K95 VanDerWaalsContact O-CG 3.26Å; L91-K95 WeakPolarHBondContact O-CG 3.27Å; L91-K95 PolarHBondContact O-N 3.15Å |
| 92 | E | 89.6 | Confident | 83.7 | Confident | 105 Ų | 105 | 111.1 Ų | 111.1 | 49% | 0.491 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -75.2 | -42.9 | 172.8 | -74.5 | 160.1 | -178.8 | 0 | 0 | 110.4 | K88 L89 Y90 K95 E96 | K88-E92 WeakPolarHBondContact O-CG 3.36Å; K88-E92 PolarHBondContact O-N 3.4Å; L89-E92 PolarHBondContact O-N 2.88Å; Y90-E92 VanDerWaalsContact C-N 3.34Å; E92-K95 WeakPolarHBondContact O-CB 3.2Å; E92-K95 PolarHBondContact O-N 3.17Å; E92-E96 PolarHBondContact O-N 2.94Å |
| 93 | Q | 89.2 | Confident | 83.8 | Confident | 121 Ų | 121 | 111 Ų | 111 | 57% | 0.565 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.4 | -46.8 | 172.4 | -74.1 | 179.7 | -42.8 | 0 | 0 | 112.7 | L89 K95 E96 E97 | L89-Q93 WeakPolarHBondContact O-CG 3.27Å; L89-Q93 PolarHBondContact O-N 3.5Å; Q93-K95 VanDerWaalsContact C-N 3.27Å; Q93-K95 PolarHBondContact O-N 2.74Å; Q93-E96 PolarHBondContact O-N 2.96Å; Q93-E97 PolarHBondContact O-N 3.35Å |
| 94 | L | 84.8 | Confident | 83.6 | Confident | 62 Ų | 62 | 108.8 Ų | 108.8 | 33% | 0.325 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.2 | -36.9 | 175.6 | -76.9 | 173.9 | 0 | 0 | 0 | 112.3 | Y90 E97 E98 | Y90-L94 HydrophobicContact CD1-CD1 3.88Å; Y90-L94 HydrophobicContact CE1-CD1 3.49Å; Y90-L94 VanDerWaalsContact CE1-CD1 3.49Å; Y90-L94 HydrophobicContact CE1-CG 4.19Å; Y90-L94 WeakPolarHBondContact O-CB 3.44Å; Y90-L94 WeakPolarHBondContact O-CG 3.32Å; Y90-L94 PolarHBondContact O-N 3.2Å; L94-E97 PolarHBondContact O-N 3.27Å; L94-E98 WeakPolarHBondContact O-CB 3.14Å; L94-E98 WeakPolarHBondContact O-CG 3.47Å; L94-E98 PolarHBondContact O-N 3.03Å |
| 95 | K | 83.2 | Confident | 83.3 | Confident | 139 Ų | 139 | 108.8 Ų | 108.8 | 60% | 0.604 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.1 | -44 | 174.3 | -81.1 | 172.9 | 175.1 | -174.5 | 0 | 112.4 | L91 E92 Q93 E97 E98 E99 | L91-K95 WeakPolarHBondContact O-CB 3.45Å; L91-K95 WeakPolarHBondContact O-CD 3.49Å; L91-K95 VanDerWaalsContact O-CG 3.26Å; L91-K95 WeakPolarHBondContact O-CG 3.27Å; L91-K95 PolarHBondContact O-N 3.15Å; E92-K95 WeakPolarHBondContact O-CB 3.2Å; E92-K95 PolarHBondContact O-N 3.17Å; Q93-K95 VanDerWaalsContact C-N 3.27Å; Q93-K95 PolarHBondContact O-N 2.74Å; K95-E97 VanDerWaalsContact C-N 3.25Å; K95-E97 PolarHBondContact O-N 3.22Å; K95-E98 PolarHBondContact O-N 3.39Å; K95-E99 WeakPolarHBondContact O-CB 3.2Å; K95-E99 PolarHBondContact O-N 3.3Å |
| 96 | E | 87.3 | Confident | 82.9 | Confident | 107 Ų | 107 | 105.3 Ų | 105.3 | 50% | 0.5 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.9 | -34 | 175.4 | -84.2 | -164.4 | -148.8 | 0 | 0 | 112.5 | E92 Q93 K100 | E92-E96 PolarHBondContact O-N 2.94Å; Q93-E96 PolarHBondContact O-N 2.96Å; E96-K100 WeakPolarHBondContact O-CB 3.45Å; E96-K100 VanDerWaalsContact O-CD 3.27Å; E96-K100 WeakPolarHBondContact O-CD 3.47Å; E96-K100 WeakPolarHBondContact O-CG 3.5Å; E96-K100 PolarHBondContact O-N 3.35Å; E96-K100 VanDerWaalsContact O-N 3.11Å; E96-K100 IonicContact OE2-NZ 3.9Å; E96-K100 PolarHBondContact OE2-NZ 3.11Å |
| 97 | E | 82.3 | Confident | 82.4 | Confident | 131 Ų | 131 | 106.6 Ų | 106.6 | 61% | 0.612 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -73.4 | -42.5 | 174.8 | -71.9 | -176.1 | 168.9 | 0 | 0 | 112.2 | Q93 L94 K95 K101 | Q93-E97 PolarHBondContact O-N 3.35Å; L94-E97 PolarHBondContact O-N 3.27Å; K95-E97 VanDerWaalsContact C-N 3.25Å; K95-E97 PolarHBondContact O-N 3.22Å; E97-K101 WeakPolarHBondContact O-CB 3.37Å; E97-K101 PolarHBondContact O-N 2.84Å |
| 98 | E | 76.9 | Confident | 81.8 | Confident | 144 Ų | 144 | 110.3 Ų | 110.3 | 67% | 0.673 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.1 | -37.3 | 174.1 | -75 | -174.8 | 156.3 | 0 | 0 | 112.4 | L94 K95 A102 | L94-E98 WeakPolarHBondContact O-CB 3.14Å; L94-E98 WeakPolarHBondContact O-CG 3.47Å; L94-E98 PolarHBondContact O-N 3.03Å; K95-E98 PolarHBondContact O-N 3.39Å; E98-A102 VanDerWaalsContact O-CB 3.31Å; E98-A102 WeakPolarHBondContact O-CB 3.01Å; E98-A102 PolarHBondContact O-N 3.34Å |
| 99 | E | 83.1 | Confident | 81.3 | Confident | 128 Ų | 128 | 108.5 Ų | 108.5 | 60% | 0.598 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -69.9 | -50 | 179.4 | -171.6 | 161.4 | -136.4 | 0 | 0 | 111.1 | K95 K101 A102 E103 | K95-E99 WeakPolarHBondContact O-CB 3.2Å; K95-E99 PolarHBondContact O-N 3.3Å; E99-K101 VanDerWaalsContact C-N 3.3Å; E99-K101 PolarHBondContact O-N 3.1Å; E99-A102 CarbonylContact O-C 3.59Å; E99-A102 PolarHBondContact O-N 3.11Å; E99-A102 VanDerWaalsContact O-N 3.1Å; E99-E103 WeakPolarHBondContact O-CG 3.48Å; E99-E103 PolarHBondContact O-N 3.06Å |
| 100 | K | 83.3 | Confident | 80.9 | Confident | 102 Ų | 102 | 110.3 Ų | 110.3 | 44% | 0.443 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.2 | -41.6 | 173.6 | -72.2 | 163.8 | -165.5 | 147.3 | 0 | 112 | E96 A102 E103 D104 | E96-K100 WeakPolarHBondContact O-CB 3.45Å; E96-K100 VanDerWaalsContact O-CD 3.27Å; E96-K100 WeakPolarHBondContact O-CD 3.47Å; E96-K100 WeakPolarHBondContact O-CG 3.5Å; E96-K100 PolarHBondContact O-N 3.35Å; E96-K100 VanDerWaalsContact O-N 3.11Å; E96-K100 IonicContact OE2-NZ 3.9Å; E96-K100 PolarHBondContact OE2-NZ 3.11Å; K100-A102 VanDerWaalsContact C-N 3.33Å; K100-A102 PolarHBondContact O-N 2.88Å; K100-E103 WeakPolarHBondContact O-CB 3.34Å; K100-E103 PolarHBondContact O-N 3.24Å; K100-D104 PolarHBondContact O-N 3.47Å |
| 101 | K | 82.7 | Confident | 80.7 | Confident | 122 Ų | 122 | 108.3 Ų | 108.3 | 53% | 0.53 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.9 | -34.4 | 177.4 | -173.4 | 170.1 | -177.1 | -74.6 | 0 | 112.4 | E97 E99 E105 | E97-K101 WeakPolarHBondContact O-CB 3.37Å; E97-K101 PolarHBondContact O-N 2.84Å; E99-K101 VanDerWaalsContact C-N 3.3Å; E99-K101 PolarHBondContact O-N 3.1Å; K101-E105 IonicContact NZ-OE1 2.87Å; K101-E105 PolarHBondContact NZ-OE1 2.9Å; K101-E105 WeakPolarHBondContact O-CB 3.42Å; K101-E105 WeakPolarHBondContact O-CG 3.46Å; K101-E105 PolarHBondContact O-N 2.6Å |
| 102 | A | 78.3 | Confident | 80.6 | Confident | 57 Ų | 57 | 108.5 Ų | 108.5 | 47% | 0.471 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -71.8 | -34.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E98 E99 K100 S106 | E98-A102 VanDerWaalsContact O-CB 3.31Å; E98-A102 WeakPolarHBondContact O-CB 3.01Å; E98-A102 PolarHBondContact O-N 3.34Å; E99-A102 CarbonylContact O-C 3.59Å; E99-A102 PolarHBondContact O-N 3.11Å; E99-A102 VanDerWaalsContact O-N 3.1Å; K100-A102 VanDerWaalsContact C-N 3.33Å; K100-A102 PolarHBondContact O-N 2.88Å; A102-S106 WeakPolarHBondContact O-CB 3.34Å; A102-S106 PolarHBondContact O-N 3.09Å; A102-S106 PolarHBondContact O-OG 2.61Å |
| 103 | E | 80.4 | Confident | 80.3 | Confident | 120 Ų | 120 | 105.9 Ų | 105.9 | 56% | 0.561 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.1 | -51.1 | 170.6 | -71.2 | -177.4 | 143.8 | 0 | 0 | 110.7 | E99 K100 S106 F107 | E99-E103 WeakPolarHBondContact O-CG 3.48Å; E99-E103 PolarHBondContact O-N 3.06Å; K100-E103 WeakPolarHBondContact O-CB 3.34Å; K100-E103 PolarHBondContact O-N 3.24Å; E103-S106 PolarHBondContact O-N 3.43Å; E103-S106 PolarHBondContact O-OG 2.87Å; E103-F107 WeakPolarHBondContact O-CB 3.34Å; E103-F107 PolarHBondContact O-N 2.83Å |
| 104 | D | 75.9 | Confident | 79.9 | Confident | 110 Ų | 110 | 101.8 Ų | 101.8 | 59% | 0.588 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -57.9 | -50.4 | 176.3 | -74.6 | -30.3 | 0 | 0 | 0 | 112.1 | K100 S106 F107 E108 | K100-D104 PolarHBondContact O-N 3.47Å; D104-S106 VanDerWaalsContact C-N 3.3Å; D104-S106 PolarHBondContact O-N 2.97Å; D104-F107 PolarHBondContact O-N 3.38Å; D104-E108 PolarHBondContact O-N 2.78Å |
| 105 | E | 75.8 | Confident | 79.8 | Confident | 101 Ų | 101 | 107 Ų | 107 | 47% | 0.472 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.1 | -38.2 | 176.4 | -77 | 179.3 | -162.1 | 0 | 0 | 111.5 | K101 T109 | K101-E105 IonicContact NZ-OE1 2.87Å; K101-E105 PolarHBondContact NZ-OE1 2.9Å; K101-E105 WeakPolarHBondContact O-CB 3.42Å; K101-E105 WeakPolarHBondContact O-CG 3.46Å; K101-E105 PolarHBondContact O-N 2.6Å; E105-T109 WeakPolarHBondContact O-CG2 3.21Å; E105-T109 PolarHBondContact O-N 3.45Å; E105-T109 PolarHBondContact O-OG1 2.96Å |
| 106 | S | 75.9 | Confident | 79.8 | Confident | 58 Ų | 58 | 105.1 Ų | 105.1 | 41% | 0.406 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.4 | -43 | 176.3 | 77.8 | 0 | 0 | 0 | 0 | 111.9 | A102 E103 D104 T109 D110 | A102-S106 WeakPolarHBondContact O-CB 3.34Å; A102-S106 PolarHBondContact O-N 3.09Å; A102-S106 PolarHBondContact O-OG 2.61Å; E103-S106 PolarHBondContact O-N 3.43Å; E103-S106 PolarHBondContact O-OG 2.87Å; D104-S106 VanDerWaalsContact C-N 3.3Å; D104-S106 PolarHBondContact O-N 2.97Å; S106-T109 WeakPolarHBondContact CA-OG1 3.48Å; S106-T109 PolarHBondContact O-N 3.43Å; S106-T109 VanDerWaalsContact O-N 3.13Å; S106-T109 PolarHBondContact O-OG1 3.39Å; S106-D110 PolarHBondContact O-N 3.24Å |
| 107 | F | 74.4 | Confident | 79.4 | Confident | 131 Ų | 131 | 106.1 Ų | 106.1 | 58% | 0.575 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.8 | -40.6 | 178.4 | -177.9 | -109.3 | 0 | 0 | 0 | 111.9 | E103 D104 D110 L111 | E103-F107 WeakPolarHBondContact O-CB 3.34Å; E103-F107 PolarHBondContact O-N 2.83Å; D104-F107 PolarHBondContact O-N 3.38Å; F107-D110 PolarHBondContact O-N 2.9Å; F107-L111 HydrophobicContact CD1-CD1 3.9Å; F107-L111 HydrophobicContact CE1-CD1 3.52Å; F107-L111 HydrophobicContact CE1-CG 4.28Å; F107-L111 HydrophobicContact CE2-CG 4.48Å; F107-L111 HydrophobicContact CZ-CD1 3.89Å; F107-L111 HydrophobicContact CZ-CD2 4.44Å; F107-L111 HydrophobicContact CZ-CG 4.25Å; F107-L111 WeakPolarHBondContact O-CB 3.27Å; F107-L111 WeakPolarHBondContact O-CG 3.48Å; F107-L111 PolarHBondContact O-N 2.94Å |
| 108 | E | 71.8 | Confident | 79.2 | Confident | 127 Ų | 127 | 105.2 Ų | 105.2 | 59% | 0.593 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.9 | -44 | 169.9 | -73.1 | -160.8 | 161.7 | 0 | 0 | 111.7 | D104 D110 L111 I112 | D104-E108 PolarHBondContact O-N 2.78Å; E108-D110 PolarHBondContact O-N 2.71Å; E108-L111 PolarHBondContact O-N 2.92Å; E108-I112 WeakPolarHBondContact O-CB 3.31Å; E108-I112 WeakPolarHBondContact O-CD1 3.4Å; E108-I112 WeakPolarHBondContact O-CG1 3.44Å; E108-I112 PolarHBondContact O-N 3.44Å |
| 109 | T | 75.6 | Confident | 79.2 | Confident | 84 Ų | 84 | 102.1 Ų | 102.1 | 52% | 0.515 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.4 | -36.2 | 178.1 | 59.3 | 0 | 0 | 0 | 0 | 113.5 | E105 S106 I112 A113 | E105-T109 WeakPolarHBondContact O-CG2 3.21Å; E105-T109 PolarHBondContact O-N 3.45Å; E105-T109 PolarHBondContact O-OG1 2.96Å; S106-T109 WeakPolarHBondContact CA-OG1 3.48Å; S106-T109 PolarHBondContact O-N 3.43Å; S106-T109 VanDerWaalsContact O-N 3.13Å; S106-T109 PolarHBondContact O-OG1 3.39Å; T109-I112 PolarHBondContact O-N 2.89Å; T109-A113 WeakPolarHBondContact O-CB 3.39Å; T109-A113 PolarHBondContact O-N 3.15Å |
| 110 | D | 82 | Confident | 78.9 | Confident | 119 Ų | 119 | 98.1 Ų | 98.1 | 64% | 0.636 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -71.9 | -37.1 | 176.3 | -92.8 | -3.3 | 0 | 0 | 0 | 112.1 | S106 F107 E108 A113 G114 | S106-D110 PolarHBondContact O-N 3.24Å; F107-D110 PolarHBondContact O-N 2.9Å; E108-D110 PolarHBondContact O-N 2.71Å; D110-A113 PolarHBondContact O-N 3.34Å; D110-G114 PolarHBondContact O-N 3.19Å |
| 111 | L | 80.9 | Confident | 78.5 | Confident | 103 Ų | 103 | 96 Ų | 96 | 54% | 0.539 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 170.6 | -75.7 | 176.3 | 0 | 0 | 0 | 111.8 | F107 E108 G114 R115 | F107-L111 HydrophobicContact CD1-CD1 3.9Å; F107-L111 HydrophobicContact CE1-CD1 3.52Å; F107-L111 HydrophobicContact CE1-CG 4.28Å; F107-L111 HydrophobicContact CE2-CG 4.48Å; F107-L111 HydrophobicContact CZ-CD1 3.89Å; F107-L111 HydrophobicContact CZ-CD2 4.44Å; F107-L111 HydrophobicContact CZ-CG 4.25Å; F107-L111 WeakPolarHBondContact O-CB 3.27Å; F107-L111 WeakPolarHBondContact O-CG 3.48Å; F107-L111 PolarHBondContact O-N 2.94Å; E108-L111 PolarHBondContact O-N 2.92Å; L111-G114 PolarHBondContact O-N 2.6Å; L111-R115 WeakPolarHBondContact O-CB 3.32Å; L111-R115 PolarHBondContact O-N 2.9Å |
| 112 | I | 80 | Confident | 78 | Confident | 108 Ų | 108 | 93.6 Ų | 93.6 | 55% | 0.554 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.9 | -42.5 | 176.9 | -69 | 164.9 | 0 | 0 | 0 | 110.5 | E108 T109 L116 | E108-I112 WeakPolarHBondContact O-CB 3.31Å; E108-I112 WeakPolarHBondContact O-CD1 3.4Å; E108-I112 WeakPolarHBondContact O-CG1 3.44Å; E108-I112 PolarHBondContact O-N 3.44Å; T109-I112 PolarHBondContact O-N 2.89Å; I112-L116 VanDerWaalsContact O-CB 3.23Å; I112-L116 WeakPolarHBondContact O-CB 3.23Å; I112-L116 PolarHBondContact O-N 2.6Å |
| 113 | A | 82.2 | Confident | 77.5 | Confident | 50 Ų | 50 | 97.7 Ų | 97.7 | 41% | 0.413 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | T109 D110 L116 Q117 | T109-A113 WeakPolarHBondContact O-CB 3.39Å; T109-A113 PolarHBondContact O-N 3.15Å; D110-A113 PolarHBondContact O-N 3.34Å; A113-L116 PolarHBondContact O-N 3.46Å; A113-Q117 VanDerWaalsContact O-CB 3.26Å; A113-Q117 WeakPolarHBondContact O-CB 3.14Å; A113-Q117 PolarHBondContact O-N 3.05Å |
| 114 | G | 81.9 | Confident | 76.7 | Confident | 34 Ų | 34 | 97.6 Ų | 97.6 | 35% | 0.351 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.6 | -49.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D110 L111 L116 Q117 E118 | D110-G114 PolarHBondContact O-N 3.19Å; L111-G114 PolarHBondContact O-N 2.6Å; G114-L116 PolarHBondContact O-N 3.19Å; G114-Q117 WeakPolarHBondContact O-CB 3.44Å; G114-Q117 PolarHBondContact O-N 3.47Å; G114-E118 PolarHBondContact O-N 2.99Å |
| 115 | R | 81.8 | Confident | 76.1 | Confident | 171 Ų | 171 | 92.6 Ų | 92.6 | 65% | 0.645 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -59.1 | -47.1 | 175 | 177.3 | -179.5 | 166.3 | 162.9 | 1.8 | 112.2 | L111 Q117 E118 E119 | L111-R115 WeakPolarHBondContact O-CB 3.32Å; L111-R115 PolarHBondContact O-N 2.9Å; R115-Q117 VanDerWaalsContact C-N 3.28Å; R115-Q117 PolarHBondContact O-N 2.89Å; R115-E118 WeakPolarHBondContact O-CB 3.41Å; R115-E118 PolarHBondContact O-N 3.17Å; R115-E118 VanDerWaalsContact O-N 3.12Å; R115-E119 IonicContact CZ-OE1 2.6Å; R115-E119 IonicContact NE-OE1 2.6Å; R115-E119 PolarHBondContact NE-OE1 3Å; R115-E119 IonicContact NH2-OE1 3.24Å; R115-E119 PolarHBondContact NH2-OE1 2.82Å; R115-E119 WeakPolarHBondContact O-CG 3.46Å; R115-E119 PolarHBondContact O-N 2.95Å |
| 116 | L | 82.6 | Confident | 75.6 | Confident | 101 Ų | 101 | 93.2 Ų | 93.2 | 53% | 0.529 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.5 | -34 | 179.4 | -170.9 | 149.9 | 0 | 0 | 0 | 111.2 | I112 A113 G114 V120 | I112-L116 VanDerWaalsContact O-CB 3.23Å; I112-L116 WeakPolarHBondContact O-CB 3.23Å; I112-L116 PolarHBondContact O-N 2.6Å; A113-L116 PolarHBondContact O-N 3.46Å; G114-L116 PolarHBondContact O-N 3.19Å; L116-V120 HydrophobicContact CD2-CG2 4.07Å; L116-V120 VanDerWaalsContact O-CB 3.27Å; L116-V120 WeakPolarHBondContact O-CB 3.43Å; L116-V120 WeakPolarHBondContact O-CG2 3.44Å; L116-V120 PolarHBondContact O-N 3.44Å |
| 117 | Q | 80 | Confident | 75.5 | Confident | 127 Ų | 127 | 91.5 Ų | 91.5 | 59% | 0.593 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -64.8 | -40.5 | 170.9 | 177.5 | 172.4 | -32.3 | 0 | 0 | 112 | A113 G114 R115 V120 L121 | A113-Q117 VanDerWaalsContact O-CB 3.26Å; A113-Q117 WeakPolarHBondContact O-CB 3.14Å; A113-Q117 PolarHBondContact O-N 3.05Å; G114-Q117 WeakPolarHBondContact O-CB 3.44Å; G114-Q117 PolarHBondContact O-N 3.47Å; R115-Q117 VanDerWaalsContact C-N 3.28Å; R115-Q117 PolarHBondContact O-N 2.89Å; Q117-V120 PolarHBondContact O-N 2.9Å; Q117-L121 HydrophobicContact CG-CD1 4.01Å; Q117-L121 WeakPolarHBondContact O-CB 3.48Å; Q117-L121 WeakPolarHBondContact O-CG 3.21Å; Q117-L121 PolarHBondContact O-N 2.89Å |
| 118 | E | 77.6 | Confident | 75.6 | Confident | 113 Ų | 113 | 88.2 Ų | 88.2 | 53% | 0.528 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.1 | -47.6 | 173 | -70.9 | -163.3 | 159.1 | 0 | 0 | 112.4 | G114 R115 V120 L121 E122 L127 | G114-E118 PolarHBondContact O-N 2.99Å; R115-E118 WeakPolarHBondContact O-CB 3.41Å; R115-E118 PolarHBondContact O-N 3.17Å; R115-E118 VanDerWaalsContact O-N 3.12Å; E118-V120 VanDerWaalsContact C-N 3.29Å; E118-V120 PolarHBondContact O-N 3.39Å; E118-L121 CarbonylContact O-C 3.56Å; E118-L121 PolarHBondContact O-N 3.46Å; E118-E122 WeakPolarHBondContact O-CB 3.33Å; E118-E122 PolarHBondContact O-N 3.42Å; E118-L127 HydrophobicContact CB-CD2 4.47Å; E118-L127 HydrophobicContact CG-CD1 4.32Å |
| 119 | E | 76.4 | Confident | 76.1 | Confident | 79 Ų | 79 | 86.9 Ų | 86.9 | 37% | 0.369 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -58.4 | -41.6 | 176.6 | -70.6 | 179 | -171.3 | 0 | 0 | 111 | R115 E122 Q123 | R115-E119 IonicContact CZ-OE1 2.6Å; R115-E119 IonicContact NE-OE1 2.6Å; R115-E119 PolarHBondContact NE-OE1 3Å; R115-E119 IonicContact NH2-OE1 3.24Å; R115-E119 PolarHBondContact NH2-OE1 2.82Å; R115-E119 WeakPolarHBondContact O-CG 3.46Å; R115-E119 PolarHBondContact O-N 2.95Å; E119-E122 PolarHBondContact O-N 2.77Å; E119-Q123 WeakPolarHBondContact O-CG 3.44Å; E119-Q123 PolarHBondContact O-N 3.13Å |
| 120 | V | 77.7 | Confident | 76.5 | Confident | 44 Ų | 44 | 87.8 Ų | 87.8 | 27% | 0.267 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.8 | -34.4 | 174.4 | 165.5 | 0 | 0 | 0 | 0 | 112.7 | L116 Q117 E118 K124 | L116-V120 HydrophobicContact CD2-CG2 4.07Å; L116-V120 VanDerWaalsContact O-CB 3.27Å; L116-V120 WeakPolarHBondContact O-CB 3.43Å; L116-V120 WeakPolarHBondContact O-CG2 3.44Å; L116-V120 PolarHBondContact O-N 3.44Å; Q117-V120 PolarHBondContact O-N 2.9Å; E118-V120 VanDerWaalsContact C-N 3.29Å; E118-V120 PolarHBondContact O-N 3.39Å; V120-K124 HydrophobicContact CG1-CD 3.92Å; V120-K124 WeakPolarHBondContact O-CB 3.47Å; V120-K124 WeakPolarHBondContact O-CD 3.24Å; V120-K124 WeakPolarHBondContact O-CG 3.4Å; V120-K124 PolarHBondContact O-N 3Å; V120-K124 VanDerWaalsContact O-N 3.17Å |
| 121 | L | 74.7 | Confident | 76.6 | Confident | 56 Ų | 56 | 82.9 Ų | 82.9 | 29% | 0.293 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -73.6 | -34.2 | 175.2 | -76.6 | 169.3 | 0 | 0 | 0 | 112.1 | Q117 E118 K124 G125 K126 L127 | Q117-L121 HydrophobicContact CG-CD1 4.01Å; Q117-L121 WeakPolarHBondContact O-CB 3.48Å; Q117-L121 WeakPolarHBondContact O-CG 3.21Å; Q117-L121 PolarHBondContact O-N 2.89Å; E118-L121 CarbonylContact O-C 3.56Å; E118-L121 PolarHBondContact O-N 3.46Å; L121-K124 PolarHBondContact O-N 2.89Å; L121-G125 PolarHBondContact O-N 2.66Å; L121-K126 HydrophobicContact CD2-CB 3.97Å; L121-K126 PolarHBondContact O-N 2.89Å; L121-L127 HydrophobicContact CB-CB 3.95Å; L121-L127 HydrophobicContact CB-CD1 4.48Å; L121-L127 PolarHBondContact O-N 2.8Å |
| 122 | E | 71.4 | Confident | 76.6 | Confident | 72 Ų | 72 | 78 Ų | 78 | 34% | 0.336 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.8 | -49.8 | 174.3 | -179.5 | 159.7 | -148.8 | 0 | 0 | 110.9 | E118 E119 K124 G125 L127 R129 N391 | E118-E122 WeakPolarHBondContact O-CB 3.33Å; E118-E122 PolarHBondContact O-N 3.42Å; E119-E122 PolarHBondContact O-N 2.77Å; E122-K124 PolarHBondContact O-N 3.39Å; E122-G125 PolarHBondContact O-N 2.86Å; E122-L127 HydrophobicContact CB-CB 4.3Å; E122-L127 HydrophobicContact CB-CD2 4.03Å; E122-R129 IonicContact OE1-CZ 3.34Å; E122-R129 VanDerWaalsContact OE1-CZ 3.27Å; E122-R129 IonicContact OE1-NH1 3.66Å; E122-R129 PolarHBondContact OE1-NH1 2.81Å; E122-R129 IonicContact OE1-NH2 3.85Å; E122-R129 PolarHBondContact OE1-NH2 2.83Å; E122-R129 VanDerWaalsContact OE1-NH2 3.09Å; E122-R129 IonicContact OE2-CZ 3.15Å; E122-R129 IonicContact OE2-NH1 2.78Å; E122-R129 IonicContact OE2-NH2 3.27Å; E122-R129 PolarHBondContact OE2-NH2 2.88Å; E122-N391 PolarHBondContact O-ND2 3.31Å |
| 123 | Q | 68.2 | Low | 76.8 | Confident | 144 Ų | 144 | 79.5 Ų | 79.5 | 67% | 0.673 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -56.1 | -37.6 | 173.9 | -72.9 | 178.4 | 11.8 | 0 | 0 | 112.7 | E119 G125 | E119-Q123 WeakPolarHBondContact O-CG 3.44Å; E119-Q123 PolarHBondContact O-N 3.13Å; Q123-G125 VanDerWaalsContact C-N 3.26Å; Q123-G125 PolarHBondContact O-N 3.4Å |
| 124 | K | 64.8 | Low | 76.9 | Confident | 118 Ų | 118 | 80.2 Ų | 80.2 | 51% | 0.513 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -7.4 | 177.9 | -74.7 | 169.3 | -176.4 | 166.5 | 0 | 114.1 | V120 L121 E122 K126 R298 | V120-K124 HydrophobicContact CG1-CD 3.92Å; V120-K124 WeakPolarHBondContact O-CB 3.47Å; V120-K124 WeakPolarHBondContact O-CD 3.24Å; V120-K124 WeakPolarHBondContact O-CG 3.4Å; V120-K124 PolarHBondContact O-N 3Å; V120-K124 VanDerWaalsContact O-N 3.17Å; L121-K124 PolarHBondContact O-N 2.89Å; E122-K124 PolarHBondContact O-N 3.39Å; K124-K126 VanDerWaalsContact C-N 3.35Å; K124-K126 HydrophobicContact CB-CG 4.38Å; K124-R298 PolarHBondContact O-NH2 2.85Å |
| 125 | G | 62 | Low | 77.2 | Confident | 4 Ų | 4 | 79.3 Ų | 79.3 | 4% | 0.041 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 30.8 | -175 | 0 | 0 | 0 | 0 | 0 | 113.3 | L121 E122 Q123 | L121-G125 PolarHBondContact O-N 2.66Å; E122-G125 PolarHBondContact O-N 2.86Å; Q123-G125 VanDerWaalsContact C-N 3.26Å; Q123-G125 PolarHBondContact O-N 3.4Å |
| 126 | K | 65.8 | Low | 77.4 | Confident | 114 Ų | 114 | 74.3 Ų | 74.3 | 50% | 0.496 | 35% | 0.354 | S | S | . | . | trans | -120.5 | -17.6 | -174.2 | -69.8 | -156.9 | 170.5 | -147.4 | 0 | 115.1 | L121 K124 E340 | L121-K126 HydrophobicContact CD2-CB 3.97Å; L121-K126 PolarHBondContact O-N 2.89Å; K124-K126 VanDerWaalsContact C-N 3.35Å; K124-K126 HydrophobicContact CB-CG 4.38Å; K126-E340 WeakPolarHBondContact CE-OE1 3.41Å; K126-E340 IonicContact NZ-OE1 3.9Å; K126-E340 PolarHBondContact NZ-OE1 2.56Å; K126-E340 VanDerWaalsContact NZ-OE1 3.1Å | ||
| 127 | L | 73 | Confident | 77.6 | Confident | 23 Ų | 23 | 73.6 Ų | 73.6 | 12% | 0.12 | 36% | 0.355 | C | S | . | . | trans | -61.7 | 138 | 166.4 | -170.5 | 64.2 | 0 | 0 | 0 | 108.7 | E118 L121 E122 R129 N391 | E118-L127 HydrophobicContact CB-CD2 4.47Å; E118-L127 HydrophobicContact CG-CD1 4.32Å; L121-L127 HydrophobicContact CB-CB 3.95Å; L121-L127 HydrophobicContact CB-CD1 4.48Å; L121-L127 PolarHBondContact O-N 2.8Å; E122-L127 HydrophobicContact CB-CB 4.3Å; E122-L127 HydrophobicContact CB-CD2 4.03Å; L127-R129 HydrophobicContact CD2-CG 4.48Å; L127-N391 WeakPolarHBondContact O-CB 3.4Å | ||
| 128 | Q | 78.3 | Confident | 77.9 | Confident | 62 Ų | 62 | 68.5 Ų | 68.5 | 29% | 0.29 | 33% | 0.333 | S | S | . | . | trans | -125.7 | 104.2 | 172.7 | -179.5 | 173.3 | -4.5 | 0 | 0 | 109.1 | L130 N391 Y413 | Q128-L130 HydrophobicContact CG-CD2 3.92Å; Q128-L130 PolarHBondContact O-N 2.89Å; Q128-N391 CarbonylContact C-O 3.53Å; Q128-N391 WeakPolarHBondContact CA-O 3.47Å; Q128-Y413 VanDerWaalsContact CD-OH 3.26Å; Q128-Y413 PolarHBondContact NE2-OH 2.89Å | ||
| 129 | R | 80.8 | Confident | 78.2 | Confident | 98 Ų | 98 | 67.4 Ų | 67.4 | 37% | 0.37 | 33% | 0.331 | S | S | . | . | B | Isolated β-bridge | trans | -75 | 114.5 | 173.9 | -63.2 | -176.7 | 170.9 | 123.1 | 6.1 | 109.2 | E122 L127 I131 N391 S392 D393 | E122-R129 IonicContact OE1-CZ 3.34Å; E122-R129 VanDerWaalsContact OE1-CZ 3.27Å; E122-R129 IonicContact OE1-NH1 3.66Å; E122-R129 PolarHBondContact OE1-NH1 2.81Å; E122-R129 IonicContact OE1-NH2 3.85Å; E122-R129 PolarHBondContact OE1-NH2 2.83Å; E122-R129 VanDerWaalsContact OE1-NH2 3.09Å; E122-R129 IonicContact OE2-CZ 3.15Å; E122-R129 IonicContact OE2-NH1 2.78Å; E122-R129 IonicContact OE2-NH2 3.27Å; E122-R129 PolarHBondContact OE2-NH2 2.88Å; L127-R129 HydrophobicContact CD2-CG 4.48Å; R129-I131 VanDerWaalsContact C-N 3.33Å; R129-I131 HydrophobicContact CB-CD1 3.69Å; R129-I131 HydrophobicContact CB-CG1 3.94Å; R129-I131 PolarHBondContact O-N 3.49Å; R129-N391 PolarHBondContact N-O 2.94Å; R129-S392 VanDerWaalsContact O-CA 3.27Å; R129-S392 WeakPolarHBondContact O-CA 3.22Å; R129-S392 WeakPolarHBondContact O-CB 3.5Å; R129-D393 PolarHBondContact O-N 2.92Å |
| 130 | L | 84.2 | Confident | 78.5 | Confident | 103 Ų | 103 | 66.4 Ų | 66.4 | 54% | 0.539 | 34% | 0.336 | S | S | . | . | trans | -88.6 | 66.4 | -178.2 | -63.3 | 178.8 | 0 | 0 | 0 | 111.3 | Q128 D393 | Q128-L130 HydrophobicContact CG-CD2 3.92Å; Q128-L130 PolarHBondContact O-N 2.89Å; L130-D393 WeakPolarHBondContact CA-OD2 3.29Å; L130-D393 HydrophobicContact CD2-CB 4.01Å | ||
| 131 | I | 84 | Confident | 78.7 | Confident | 17 Ų | 17 | 69.5 Ų | 69.5 | 9% | 0.087 | 36% | 0.36 | C | S | . | . | trans | -86.7 | -25.6 | -171.3 | -63.3 | 163.2 | 0 | 0 | 0 | 111.5 | R129 K133 D134 L135 L389 D393 R470 | R129-I131 VanDerWaalsContact C-N 3.33Å; R129-I131 HydrophobicContact CB-CD1 3.69Å; R129-I131 HydrophobicContact CB-CG1 3.94Å; R129-I131 PolarHBondContact O-N 3.49Å; I131-K133 PolarHBondContact O-N 3.23Å; I131-D134 PolarHBondContact O-N 3.46Å; I131-L135 HydrophobicContact CG2-CD2 3.93Å; I131-L135 HydrophobicContact CG2-CG 4.08Å; I131-L389 HydrophobicContact CD1-CD2 4.14Å; I131-D393 PolarHBondContact N-OD1 3.33Å; I131-R470 HydrophobicContact CG2-CG 4.37Å | ||
| 132 | A | 81.5 | Confident | 79.3 | Confident | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.008 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -20 | -165.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | D393 T394 K408 L419 | A132-D393 HydrophobicContact CB-CB 4.35Å; A132-D393 VanDerWaalsContact CB-OD1 3.23Å; A132-D393 WeakPolarHBondContact CB-OD1 3.45Å; A132-D393 WeakPolarHBondContact CB-OD2 3.43Å; A132-D393 PolarHBondContact N-OD1 3.29Å; A132-T394 WeakPolarHBondContact CB-OG1 3.44Å; A132-K408 HydrophobicContact CB-CB 3.77Å; A132-K408 HydrophobicContact CB-CD 3.91Å; A132-K408 HydrophobicContact CB-CG 3.69Å; A132-L419 HydrophobicContact CB-CD1 4.14Å; A132-L419 VanDerWaalsContact O-CD1 3.27Å; A132-L419 WeakPolarHBondContact O-CD1 3.45Å; A132-L419 WeakPolarHBondContact O-CD2 3.37Å |
| 133 | K | 83.2 | Confident | 80.2 | Confident | 138 Ų | 138 | 68.1 Ų | 68.1 | 60% | 0.6 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -28 | 176.9 | -61.6 | -179.6 | -173.5 | 171.6 | 0 | 113.6 | I131 K408 | I131-K133 PolarHBondContact O-N 3.23Å; K133-K408 HydrophobicContact CG-CD 4.45Å |
| 134 | D | 85.9 | Confident | 81.3 | Confident | 65 Ų | 65 | 66.6 Ų | 66.6 | 35% | 0.348 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -11.4 | -168.8 | -53.2 | -39.5 | 0 | 0 | 0 | 111.8 | I131 L136 R470 K471 | I131-D134 PolarHBondContact O-N 3.46Å; D134-L136 PolarHBondContact O-N 3.03Å; D134-R470 CarbonylContact O-C 3.51Å; D134-R470 WeakPolarHBondContact O-CA 3.39Å; D134-K471 PolarHBondContact O-N 2.92Å |
| 135 | L | 87 | Confident | 82.6 | Confident | 15 Ų | 15 | 63.5 Ų | 63.5 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -62.2 | 128.2 | 173.8 | -65.1 | 175.8 | 0 | 0 | 0 | 111.4 | I131 T394 L419 F420 L468 R470 | I131-L135 HydrophobicContact CG2-CD2 3.93Å; I131-L135 HydrophobicContact CG2-CG 4.08Å; L135-T394 HydrophobicContact CD1-CG2 3.65Å; L135-L419 HydrophobicContact CD1-CD1 4.43Å; L135-F420 HydrophobicContact CB-CE1 4.22Å; L135-L468 HydrophobicContact CD2-CB 4.14Å; L135-R470 HydrophobicContact CD2-CG 4.11Å |
| 136 | L | 86.8 | Confident | 84 | Confident | 67 Ų | 67 | 63.9 Ų | 63.9 | 35% | 0.351 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -91.2 | 146.2 | 169.9 | -68.4 | 169.4 | 0 | 0 | 0 | 110.1 | D134 K469 K471 | D134-L136 PolarHBondContact O-N 3.03Å; L136-K469 HydrophobicContact CB-CB 4.5Å; L136-K469 HydrophobicContact CD1-CB 4.45Å; L136-K469 PolarHBondContact N-O 3.05Å; L136-K471 HydrophobicContact CD1-CG 4.26Å; L136-K471 HydrophobicContact CD2-CD 4.4Å; L136-K471 HydrophobicContact CD2-CG 3.97Å; L136-K471 HydrophobicContact CG-CG 4.04Å |
| 137 | P | 85.7 | Confident | 85.1 | Confident | 86 Ų | 86 | 65.2 Ų | 65.2 | 56% | 0.558 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 128.7 | 167.7 | 27.9 | -33.1 | 0 | 0 | 0 | 109 | F420 | P137-F420 HydrophobicContact CB-CB 4.08Å; P137-F420 HydrophobicContact CB-CD1 4.07Å; P137-F420 HydrophobicContact CB-CD2 4.21Å; P137-F420 HydrophobicContact CB-CG 3.88Å |
| 138 | P | 86.9 | Confident | 85.7 | Confident | 20 Ų | 20 | 65.4 Ų | 65.4 | 13% | 0.13 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 140.5 | 176.8 | 27.3 | -31.2 | 0 | 0 | 0 | 110.7 | F420 V422 I466 P467 | P138-F420 HydrophobicContact CG-CE2 4.46Å; P138-V422 HydrophobicContact CG-CG1 4.27Å; P138-V422 HydrophobicContact CG-CG2 3.86Å; P138-I466 HydrophobicContact CB-CG2 4.2Å; P138-I466 HydrophobicContact CG-CG2 3.51Å; P138-P467 HydrophobicContact CB-CG 4.39Å; P138-P467 WeakPolarHBondContact CB-O 3.48Å |
| 139 | D | 84.8 | Confident | 86.3 | Confident | 89 Ų | 89 | 63.1 Ų | 63.1 | 48% | 0.476 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 145.9 | 169 | 179.2 | 46.1 | 0 | 0 | 0 | 110.8 | S141 E142 | D139-S141 PolarHBondContact O-N 2.89Å; D139-S141 WeakPolarHBondContact OD2-CB 3.34Å; D139-S141 PolarHBondContact OD2-N 3.16Å; D139-S141 VanDerWaalsContact OD2-N 3.09Å; D139-S141 PolarHBondContact OD2-OG 2.81Å; D139-E142 HydrophobicContact CB-CG 4.37Å; D139-E142 PolarHBondContact O-N 3.15Å |
| 140 | A | 80.9 | Confident | 86.7 | Confident | 59 Ų | 59 | 67.2 Ų | 67.2 | 49% | 0.488 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -61.1 | -26.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E142 I143 | A140-E142 VanDerWaalsContact C-N 3.29Å; A140-E142 PolarHBondContact O-N 2.98Å; A140-I143 PolarHBondContact O-N 3.36Å |
| 141 | S | 82.9 | Confident | 87.1 | Confident | 108 Ų | 108 | 66 Ų | 66 | 76% | 0.755 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -69.7 | -24.5 | 176.5 | -42 | 0 | 0 | 0 | 0 | 113.1 | D139 | D139-S141 PolarHBondContact O-N 2.89Å; D139-S141 WeakPolarHBondContact OD2-CB 3.34Å; D139-S141 PolarHBondContact OD2-N 3.16Å; D139-S141 VanDerWaalsContact OD2-N 3.09Å; D139-S141 PolarHBondContact OD2-OG 2.81Å |
| 142 | E | 87.6 | Confident | 87.5 | Confident | 80 Ų | 80 | 65.4 Ų | 65.4 | 37% | 0.374 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -86.3 | -12 | -178.7 | -53.7 | -168.1 | 162 | 0 | 0 | 112.8 | D139 A140 R144 P467 K469 | D139-E142 HydrophobicContact CB-CG 4.37Å; D139-E142 PolarHBondContact O-N 3.15Å; A140-E142 VanDerWaalsContact C-N 3.29Å; A140-E142 PolarHBondContact O-N 2.98Å; E142-R144 PolarHBondContact O-N 2.84Å; E142-R144 VanDerWaalsContact O-N 3.15Å; E142-P467 HydrophobicContact CB-CG 3.75Å; E142-K469 IonicContact OE1-NZ 2.74Å; E142-K469 PolarHBondContact OE1-NZ 3.38Å; E142-K469 WeakPolarHBondContact OE2-CE 3.01Å; E142-K469 IonicContact OE2-NZ 2.61Å; E142-K469 PolarHBondContact OE2-NZ 3.46Å |
| 143 | I | 90.1 | Very high | 88.1 | Confident | 19 Ų | 19 | 65.4 Ų | 65.4 | 10% | 0.097 | 34% | 0.342 | C | S | . | . | trans | -74.7 | 104.7 | -178.8 | -55 | 175.1 | 0 | 0 | 0 | 110 | A140 V145 V422 Y464 I465 I466 | A140-I143 PolarHBondContact O-N 3.36Å; I143-V145 PolarHBondContact O-N 2.81Å; I143-V422 HydrophobicContact CD1-CG1 3.43Å; I143-V422 VanDerWaalsContact CD1-CG1 3.43Å; I143-Y464 HydrophobicContact CG2-CD1 4.05Å; I143-I465 WeakPolarHBondContact CA-O 3.31Å; I143-I466 HydrophobicContact CG1-CG1 4.49Å; I143-I466 HydrophobicContact CG2-CG1 3.98Å | ||
| 144 | R | 90.8 | Very high | 88.6 | Confident | 113 Ų | 113 | 58.9 Ų | 58.9 | 43% | 0.426 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 120.5 | -177.8 | -175.6 | -177 | -69.4 | -171.3 | -8.3 | 111 | E142 L146 V179 E180 I465 | E142-R144 PolarHBondContact O-N 2.84Å; E142-R144 VanDerWaalsContact O-N 3.15Å; R144-L146 HydrophobicContact CG-CD2 3.86Å; R144-V179 PolarHBondContact NH1-O 3.4Å; R144-E180 VanDerWaalsContact NH1-C 3.33Å; R144-E180 PolarHBondContact NH1-O 3.38Å; R144-I465 HydrophobicContact CB-CB 4.36Å; R144-I465 PolarHBondContact N-O 3.18Å; R144-I465 PolarHBondContact O-N 3.38Å |
| 145 | V | 92.1 | Very high | 89 | Confident | 53 Ų | 53 | 56.2 Ų | 56.2 | 32% | 0.321 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 109.5 | -177 | -169.5 | 0 | 0 | 0 | 0 | 112.1 | I143 R147 I463 Y464 | I143-V145 PolarHBondContact O-N 2.81Å; V145-R147 HydrophobicContact CG1-CG 4.28Å; V145-I463 CarbonylContact C-O 3.58Å; V145-I463 WeakPolarHBondContact CA-O 3.44Å; V145-Y464 HydrophobicContact CB-CD1 4.42Å; V145-Y464 HydrophobicContact CB-CE1 4.31Å; V145-Y464 HydrophobicContact CG1-CD1 4.19Å; V145-Y464 HydrophobicContact CG1-CD2 4.35Å; V145-Y464 HydrophobicContact CG1-CE1 3.8Å; V145-Y464 HydrophobicContact CG1-CE2 3.97Å; V145-Y464 HydrophobicContact CG1-CG 4.43Å; V145-Y464 HydrophobicContact CG2-CD1 3.55Å; V145-Y464 HydrophobicContact CG2-CE1 3.51Å; V145-Y464 HydrophobicContact CG2-CG 4.33Å |
| 146 | L | 91.9 | Very high | 89.4 | Confident | 12 Ų | 12 | 55.7 Ų | 55.7 | 6% | 0.063 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 128.6 | 178.1 | -47.8 | -172.4 | 0 | 0 | 0 | 110.9 | R144 W177 G462 I463 I465 | R144-L146 HydrophobicContact CG-CD2 3.86Å; L146-W177 HydrophobicContact CB-CD2 4.39Å; L146-W177 HydrophobicContact CB-CE3 3.95Å; L146-W177 HydrophobicContact CB-CH2 4.02Å; L146-W177 HydrophobicContact CB-CZ2 4.47Å; L146-W177 HydrophobicContact CB-CZ3 3.75Å; L146-W177 HydrophobicContact CD1-CB 4.17Å; L146-W177 HydrophobicContact CD1-CD2 3.99Å; L146-W177 HydrophobicContact CD1-CE3 3.73Å; L146-W177 HydrophobicContact CD1-CG 4.22Å; L146-W177 HydrophobicContact CD1-CZ3 4.37Å; L146-W177 HydrophobicContact CG-CE3 4.39Å; L146-G462 CarbonylContact O-C 3.19Å; L146-G462 VanDerWaalsContact O-CA 3.23Å; L146-G462 WeakPolarHBondContact O-CA 3.36Å; L146-I463 HydrophobicContact CB-CB 4.22Å; L146-I463 PolarHBondContact N-O 2.58Å; L146-I463 PolarHBondContact O-N 3Å; L146-I465 HydrophobicContact CD1-CD1 3.79Å; L146-I465 HydrophobicContact CG-CD1 4.26Å |
| 147 | R | 89.5 | Confident | 89.8 | Confident | 141 Ų | 141 | 53.2 Ų | 53.2 | 53% | 0.532 | 29% | 0.285 | S | S | . | . | trans | -123.9 | 126.3 | -176.4 | -62.7 | -173.5 | -173.9 | 137.4 | 9.1 | 112.1 | V145 K184 | V145-R147 HydrophobicContact CG1-CG 4.28Å; R147-K184 WeakPolarHBondContact O-CE 3.27Å; R147-K184 PolarHBondContact O-NZ 2.82Å | ||
| 148 | G | 85.8 | Confident | 90.3 | Very high | 27 Ų | 27 | 49.9 Ų | 49.9 | 28% | 0.278 | 26% | 0.262 | S | S | . | . | trans | -159.4 | -43.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 149 | H | 90.4 | Very high | 90.7 | Very high | 15 Ų | 15 | 49.6 Ų | 49.6 | 7% | 0.069 | 26% | 0.26 | C | S | . | . | trans | -69.2 | 145.4 | 173.8 | -62.3 | -76.3 | 0 | 0 | 0 | 111.1 | L151 S167 A169 D171 S173 | H149-L151 WeakPolarHBondContact CB-O 3.42Å; H149-S167 PolarHBondContact CE1-O 2.81Å; H149-S167 PolarHBondContact NE2-O 2.91Å; H149-S167 PolarHBondContact NE2-OG 2.84Å; H149-A169 HydrophobicContact CB-CB 3.65Å; H149-A169 VanDerWaalsContact CG-CB 3.45Å; H149-A169 WeakPolarHBondContact ND1-CB 3.36Å; H149-D171 IonicContact ND1-OD1 3.99Å; H149-D171 PolarHBondContact ND1-OD1 3.41Å; H149-D171 IonicContact ND1-OD2 3.85Å; H149-S173 PolarHBondContact CE1-O 3.45Å; H149-S173 PolarHBondContact ND1-OG 2.85Å | ||
| 150 | K | 89 | Confident | 90.9 | Very high | 184 Ų | 184 | 46.9 Ų | 46.9 | 80% | 0.8 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -79.2 | -38 | 174.2 | -61.9 | 176.6 | -177.7 | 175.7 | 0 | 110.2 | D171 N461 | K150-D171 PolarHBondContact N-OD2 2.9Å; K150-N461 PolarHBondContact O-ND2 3.19Å |
| 151 | L | 92.1 | Very high | 91.3 | Very high | 78 Ų | 78 | 49.5 Ų | 49.5 | 41% | 0.408 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -106.1 | 168 | -178.8 | -72 | -177.1 | 0 | 0 | 0 | 112.1 | H149 I153 K170 D171 N461 | H149-L151 WeakPolarHBondContact CB-O 3.42Å; L151-I153 PolarHBondContact O-N 2.93Å; L151-K170 HydrophobicContact CB-CB 4.04Å; L151-K170 HydrophobicContact CD1-CB 4.1Å; L151-D171 HydrophobicContact CB-CB 3.94Å; L151-D171 HydrophobicContact CD1-CB 4.02Å; L151-D171 HydrophobicContact CG-CB 4.05Å; L151-D171 PolarHBondContact N-OD2 2.96Å; L151-N461 VanDerWaalsContact C-ND2 3.32Å |
| 152 | P | 92.6 | Very high | 91.8 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | trans | -49.2 | 134.6 | 175.9 | -30.6 | 34.4 | 0 | 0 | 0 | 113.9 | A169 K170 E447 | P152-A169 WeakPolarHBondContact O-CA 3.32Å; P152-A169 WeakPolarHBondContact O-CB 3.4Å; P152-K170 PolarHBondContact O-N 3.37Å; P152-E447 HydrophobicContact CB-CG 4.27Å; P152-E447 HydrophobicContact CG-CG 3.38Å | ||
| 153 | I | 94.8 | Very high | 92 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 135.6 | 168 | -60.1 | -169.3 | 0 | 0 | 0 | 108.5 | L151 L156 A168 N429 G462 I463 | L151-I153 PolarHBondContact O-N 2.93Å; I153-L156 HydrophobicContact CG2-CD2 3.91Å; I153-L156 HydrophobicContact CG2-CG 4.23Å; I153-A168 WeakPolarHBondContact CA-O 3.49Å; I153-A168 WeakPolarHBondContact CG2-O 3.43Å; I153-N429 WeakPolarHBondContact O-CB 3.36Å; I153-N429 PolarHBondContact O-ND2 3.45Å; I153-G462 VanDerWaalsContact CD1-C 3.41Å; I153-G462 WeakPolarHBondContact CD1-O 3.28Å; I153-I463 HydrophobicContact CD1-CB 4.49Å; I153-I463 HydrophobicContact CD1-CD1 4.49Å; I153-I463 HydrophobicContact CD1-CG1 3.46Å; I153-I463 VanDerWaalsContact CD1-CG1 3.46Å |
| 154 | T | 94.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | -37.8 | -177.6 | 42.9 | 0 | 0 | 0 | 0 | 112 | A168 K170 I206 R449 | T154-A168 PolarHBondContact N-O 3.23Å; T154-A168 PolarHBondContact OG1-O 3.29Å; T154-K170 HydrophobicContact CG2-CG 3.58Å; T154-I206 VanDerWaalsContact CB-O 3.22Å; T154-I206 WeakPolarHBondContact CB-O 3.26Å; T154-I206 PolarHBondContact OG1-O 3.48Å; T154-R449 HydrophobicContact CG2-CB 4.22Å |
| 155 | C | 93.8 | Very high | 92.4 | Very high | 9 Ų | 9 | 43.8 Ų | 43.8 | 6% | 0.061 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 153.3 | -176.8 | 48.2 | 0 | 0 | 0 | 0 | 112 | A168 | C155-A168 PolarHBondContact O-N 2.84Å; C155-A168 VanDerWaalsContact O-N 3.14Å |
| 156 | L | 95.6 | Very high | 92.6 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 149.2 | 179.4 | -68.4 | -177.5 | 0 | 0 | 0 | 111.4 | I153 I165 F166 S430 V441 G443 I463 | I153-L156 HydrophobicContact CG2-CD2 3.91Å; I153-L156 HydrophobicContact CG2-CG 4.23Å; L156-I165 HydrophobicContact CD2-CG2 4.37Å; L156-F166 WeakPolarHBondContact CA-O 3.21Å; L156-S430 PolarHBondContact N-OG 2.99Å; L156-V441 HydrophobicContact CD1-CB 4.32Å; L156-V441 HydrophobicContact CD1-CG1 3.64Å; L156-G443 VanDerWaalsContact CD1-CA 3.44Å; L156-I463 HydrophobicContact CD1-CG2 4.34Å; L156-I463 HydrophobicContact CD2-CD1 4.17Å; L156-I463 HydrophobicContact CD2-CG1 4.19Å |
| 157 | V | 95.5 | Very high | 92.8 | Very high | 15 Ų | 15 | 40.7 Ų | 40.7 | 9% | 0.091 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 143.2 | 168.3 | -172.4 | 0 | 0 | 0 | 0 | 109.3 | F166 M209 I211 | V157-F166 PolarHBondContact N-O 2.83Å; V157-F166 PolarHBondContact O-N 3.41Å; V157-M209 HydrophobicContact CG2-CB 3.54Å; V157-M209 WeakPolarHBondContact CG2-O 3.42Å; V157-I211 HydrophobicContact CG1-CB 3.71Å; V157-I211 HydrophobicContact CG1-CG2 3.42Å; V157-I211 VanDerWaalsContact CG1-CG2 3.42Å |
| 158 | I | 95.2 | Very high | 93 | Very high | 16 Ų | 16 | 34 Ų | 34 | 8% | 0.082 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 141 | 174.2 | -51 | 170.4 | 0 | 0 | 0 | 107.2 | I165 K432 F439 V441 | I158-I165 HydrophobicContact CG1-CG1 4.35Å; I158-K432 HydrophobicContact CD1-CB 3.9Å; I158-K432 WeakPolarHBondContact CD1-O 3.5Å; I158-K432 HydrophobicContact CG1-CB 4.21Å; I158-F439 HydrophobicContact CD1-CE2 4.13Å; I158-F439 HydrophobicContact CG2-CE2 4.38Å; I158-F439 HydrophobicContact CG2-CZ 4.35Å; I158-V441 HydrophobicContact CD1-CB 4.13Å; I158-V441 HydrophobicContact CD1-CG2 3.51Å; I158-V441 HydrophobicContact CG1-CG2 4.04Å |
| 159 | T | 94.3 | Very high | 93.4 | Very high | 13 Ų | 13 | 32.7 Ų | 32.7 | 8% | 0.08 | 16% | 0.157 | C | C | . | . | trans | -62.8 | 149.9 | 172.4 | 48.1 | 0 | 0 | 0 | 0 | 111.3 | D161 D162 C164 F166 I211 | T159-D161 PolarHBondContact O-N 2.78Å; T159-D161 VanDerWaalsContact O-N 3.16Å; T159-D162 PolarHBondContact O-N 2.81Å; T159-C164 HydrophobicContact CG2-CB 3.58Å; T159-C164 PolarHBondContact N-O 2.82Å; T159-C164 PolarHBondContact OG1-N 2.85Å; T159-C164 PolarHBondContact OG1-O 3.21Å; T159-C164 VanDerWaalsContact OG1-O 3.1Å; T159-F166 HydrophobicContact CG2-CD2 4.44Å; T159-F166 HydrophobicContact CG2-CE2 3.83Å; T159-I211 HydrophobicContact CG2-CD1 3.87Å | ||
| 160 | P | 90 | Very high | 93.5 | Very high | 33 Ų | 33 | 32.6 Ų | 32.6 | 21% | 0.214 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.4 | -42.4 | 172.9 | -27.8 | 35.3 | 0 | 0 | 0 | 113.3 | D162 S212 S213 S435 | P160-D162 PolarHBondContact O-N 2.88Å; P160-D162 VanDerWaalsContact O-N 3.15Å; P160-S212 WeakPolarHBondContact CG-O 3.36Å; P160-S213 VanDerWaalsContact CG-O 3.29Å; P160-S213 WeakPolarHBondContact CG-O 3.45Å; P160-S435 WeakPolarHBondContact O-CB 3.39Å; P160-S435 PolarHBondContact O-OG 3.15Å |
| 161 | D | 89.8 | Confident | 93.5 | Very high | 114 Ų | 114 | 25.5 Ų | 25.5 | 61% | 0.61 | 13% | 0.128 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | 2 | 179.6 | -45.8 | -36.1 | 0 | 0 | 0 | 115.1 | T159 R163 | T159-D161 PolarHBondContact O-N 2.78Å; T159-D161 VanDerWaalsContact O-N 3.16Å; D161-R163 HydrophobicContact CB-CG 4.49Å; D161-R163 PolarHBondContact O-N 3.34Å |
| 162 | D | 92.3 | Very high | 93.4 | Very high | 19 Ų | 19 | 22.5 Ų | 22.5 | 10% | 0.102 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 57.3 | -7.5 | -174.7 | -71 | -30 | 0 | 0 | 0 | 117.3 | T159 P160 C164 V179 S434 S435 S436 F439 | T159-D162 PolarHBondContact O-N 2.81Å; P160-D162 PolarHBondContact O-N 2.88Å; P160-D162 VanDerWaalsContact O-N 3.15Å; D162-C164 PolarHBondContact O-N 3.23Å; D162-V179 VanDerWaalsContact O-CG2 3.31Å; D162-V179 WeakPolarHBondContact O-CG2 3.43Å; D162-S434 WeakPolarHBondContact OD1-CA 3.47Å; D162-S434 WeakPolarHBondContact OD1-CB 3.33Å; D162-S434 WeakPolarHBondContact OD2-CB 3.39Å; D162-S435 VanDerWaalsContact CG-N 3.35Å; D162-S435 PolarHBondContact OD1-N 2.99Å; D162-S435 PolarHBondContact OD2-N 2.92Å; D162-S435 VanDerWaalsContact OD2-N 3.15Å; D162-S436 WeakPolarHBondContact OD2-CB 3.23Å; D162-S436 PolarHBondContact OD2-N 3.46Å; D162-S436 PolarHBondContact OD2-OG 3.5Å; D162-F439 HydrophobicContact CB-CE1 4.01Å; D162-F439 HydrophobicContact CB-CZ 3.98Å; D162-F439 WeakPolarHBondContact O-CZ 3.31Å |
| 163 | R | 92.1 | Very high | 93.4 | Very high | 164 Ų | 164 | 22.7 Ų | 22.7 | 62% | 0.619 | 11% | 0.114 | S | C | * | . | S | Bend | trans | -66.8 | -27.7 | -178.8 | -70.2 | 175.1 | 177.6 | 166 | 1 | 115.2 | D161 V179 | D161-R163 HydrophobicContact CB-CG 4.49Å; D161-R163 PolarHBondContact O-N 3.34Å; R163-V179 PolarHBondContact O-N 2.85Å |
| 164 | C | 93.8 | Very high | 93.4 | Very high | 16 Ų | 16 | 22.8 Ų | 22.8 | 11% | 0.108 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 144.1 | -172.1 | -81.6 | 0 | 0 | 0 | 0 | 113 | T159 D162 W177 | T159-C164 HydrophobicContact CG2-CB 3.58Å; T159-C164 PolarHBondContact N-O 2.82Å; T159-C164 PolarHBondContact OG1-N 2.85Å; T159-C164 PolarHBondContact OG1-O 3.21Å; T159-C164 VanDerWaalsContact OG1-O 3.1Å; D162-C164 PolarHBondContact O-N 3.23Å; C164-W177 CarbonylContact C-O 3.53Å; C164-W177 VanDerWaalsContact CA-O 3.24Å; C164-W177 WeakPolarHBondContact CA-O 3.3Å |
| 165 | I | 95.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 132.7 | 172.3 | -63.4 | 161.4 | 0 | 0 | 0 | 108.6 | L156 I158 W177 V179 V441 I463 I465 | L156-I165 HydrophobicContact CD2-CG2 4.37Å; I158-I165 HydrophobicContact CG1-CG1 4.35Å; I165-W177 HydrophobicContact CB-CB 4.37Å; I165-W177 PolarHBondContact N-O 3.34Å; I165-W177 PolarHBondContact O-N 3.06Å; I165-V179 HydrophobicContact CD1-CG2 3.65Å; I165-V179 HydrophobicContact CG1-CG2 3.68Å; I165-V441 HydrophobicContact CD1-CB 4.48Å; I165-V441 HydrophobicContact CD1-CG1 3.85Å; I165-V441 HydrophobicContact CD1-CG2 3.74Å; I165-V441 HydrophobicContact CG1-CG2 4.3Å; I165-V441 HydrophobicContact CG2-CG1 4.35Å; I165-I463 HydrophobicContact CG2-CD1 4.12Å; I165-I465 HydrophobicContact CD1-CD1 3.62Å; I165-I465 HydrophobicContact CD1-CG1 3.85Å |
| 166 | F | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 135.3 | 165.3 | -65.5 | -89.1 | 0 | 0 | 0 | 110.3 | L156 V157 T159 I174 I175 K176 M209 I211 L218 G232 | L156-F166 WeakPolarHBondContact CA-O 3.21Å; V157-F166 PolarHBondContact N-O 2.83Å; V157-F166 PolarHBondContact O-N 3.41Å; T159-F166 HydrophobicContact CG2-CD2 4.44Å; T159-F166 HydrophobicContact CG2-CE2 3.83Å; F166-I174 HydrophobicContact CD1-CG2 4.42Å; F166-I175 WeakPolarHBondContact CA-O 3.13Å; F166-K176 HydrophobicContact CD1-CB 3.98Å; F166-K176 HydrophobicContact CD1-CG 4.18Å; F166-K176 HydrophobicContact CE1-CB 3.74Å; F166-K176 HydrophobicContact CE1-CD 3.71Å; F166-K176 HydrophobicContact CE1-CG 3.67Å; F166-K176 HydrophobicContact CZ-CB 4.49Å; F166-K176 HydrophobicContact CZ-CD 3.73Å; F166-K176 HydrophobicContact CZ-CG 3.93Å; F166-M209 HydrophobicContact CB-CE 3.86Å; F166-I211 HydrophobicContact CD2-CD1 4.22Å; F166-I211 HydrophobicContact CE2-CD1 3.77Å; F166-L218 HydrophobicContact CB-CD1 4.2Å; F166-L218 HydrophobicContact CD1-CD1 4.31Å; F166-L218 HydrophobicContact CD1-CD2 3.56Å; F166-L218 HydrophobicContact CD2-CD1 3.95Å; F166-L218 HydrophobicContact CE1-CD2 3.78Å; F166-L218 HydrophobicContact CE2-CD1 4.38Å; F166-L218 HydrophobicContact CG-CD1 3.9Å; F166-L218 HydrophobicContact CG-CD2 4Å; F166-L218 HydrophobicContact CZ-CD2 4.41Å; F166-G232 WeakPolarHBondContact CZ-O 3.44Å |
| 167 | S | 95.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 141.3 | 175.6 | 63.5 | 0 | 0 | 0 | 0 | 111.7 | H149 I174 I175 W177 | H149-S167 PolarHBondContact CE1-O 2.81Å; H149-S167 PolarHBondContact NE2-O 2.91Å; H149-S167 PolarHBondContact NE2-OG 2.84Å; S167-I174 CarbonylContact O-C 3.34Å; S167-I174 WeakPolarHBondContact O-CA 3.11Å; S167-I175 PolarHBondContact N-O 3.14Å; S167-I175 PolarHBondContact O-N 3.06Å; S167-W177 PolarHBondContact OG-NE1 2.76Å |
| 168 | A | 94.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 158.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I153 T154 C155 S173 I174 I206 M209 | I153-A168 WeakPolarHBondContact CA-O 3.49Å; I153-A168 WeakPolarHBondContact CG2-O 3.43Å; T154-A168 PolarHBondContact N-O 3.23Å; T154-A168 PolarHBondContact OG1-O 3.29Å; C155-A168 PolarHBondContact O-N 2.84Å; C155-A168 VanDerWaalsContact O-N 3.14Å; A168-S173 WeakPolarHBondContact CA-O 3.44Å; A168-I174 HydrophobicContact CB-CG1 4.31Å; A168-I206 HydrophobicContact CB-CB 3.87Å; A168-I206 HydrophobicContact CB-CD1 3.81Å; A168-I206 HydrophobicContact CB-CG1 4.46Å; A168-I206 HydrophobicContact CB-CG2 3.69Å; A168-M209 HydrophobicContact CB-CG 4.35Å; A168-M209 HydrophobicContact CB-SD 3.4Å; A168-M209 WeakPolarHBondContact CB-SD 3.19Å |
| 169 | A | 94.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 170.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112 | H149 P152 D171 C172 | H149-A169 HydrophobicContact CB-CB 3.65Å; H149-A169 VanDerWaalsContact CG-CB 3.45Å; H149-A169 WeakPolarHBondContact ND1-CB 3.36Å; P152-A169 WeakPolarHBondContact O-CA 3.32Å; P152-A169 WeakPolarHBondContact O-CB 3.4Å; A169-D171 PolarHBondContact O-N 3.13Å; A169-C172 PolarHBondContact O-N 2.96Å |
| 170 | K | 91.8 | Very high | 92.9 | Very high | 14 Ų | 14 | 30.3 Ų | 30.3 | 6% | 0.061 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -8.6 | 174.9 | -56.2 | -172.9 | -175.7 | -176.4 | 0 | 114 | L151 P152 T154 C172 H205 E447 H448 R449 G451 | L151-K170 HydrophobicContact CB-CB 4.04Å; L151-K170 HydrophobicContact CD1-CB 4.1Å; P152-K170 PolarHBondContact O-N 3.37Å; T154-K170 HydrophobicContact CG2-CG 3.58Å; K170-C172 PolarHBondContact O-N 3.04Å; K170-H205 PolarHBondContact O-CE1 3.31Å; K170-H205 VanDerWaalsContact O-CE1 3.27Å; K170-H205 PolarHBondContact O-ND1 2.94Å; K170-E447 IonicContact NZ-OE1 3.97Å; K170-E447 PolarHBondContact NZ-OE1 2.98Å; K170-H448 WeakPolarHBondContact CE-O 3.21Å; K170-H448 PolarHBondContact NZ-O 3.04Å; K170-R449 VanDerWaalsContact CE-O 3.26Å; K170-R449 WeakPolarHBondContact CE-O 3.44Å; K170-G451 PolarHBondContact NZ-O 2.96Å; K170-G451 VanDerWaalsContact NZ-O 3.09Å |
| 171 | D | 89.3 | Confident | 92.7 | Very high | 35 Ų | 35 | 32.8 Ų | 32.8 | 19% | 0.187 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 10.1 | 170.6 | 60.6 | 25.9 | 0 | 0 | 0 | 113.5 | H149 K150 L151 A169 S173 | H149-D171 IonicContact ND1-OD1 3.99Å; H149-D171 PolarHBondContact ND1-OD1 3.41Å; H149-D171 IonicContact ND1-OD2 3.85Å; K150-D171 PolarHBondContact N-OD2 2.9Å; L151-D171 HydrophobicContact CB-CB 3.94Å; L151-D171 HydrophobicContact CD1-CB 4.02Å; L151-D171 HydrophobicContact CG-CB 4.05Å; L151-D171 PolarHBondContact N-OD2 2.96Å; A169-D171 PolarHBondContact O-N 3.13Å; D171-S173 PolarHBondContact O-N 2.93Å; D171-S173 WeakPolarHBondContact OD1-CB 3.5Å; D171-S173 PolarHBondContact OD1-N 3.49Å; D171-S173 PolarHBondContact OD1-OG 3.31Å |
| 172 | C | 90.3 | Very high | 92.5 | Very high | 14 Ų | 14 | 28 Ų | 28 | 10% | 0.095 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 62.5 | 12.6 | 175.2 | -40.2 | 0 | 0 | 0 | 0 | 113.4 | A169 K170 G190 H202 A204 | A169-C172 PolarHBondContact O-N 2.96Å; K170-C172 PolarHBondContact O-N 3.04Å; C172-G190 WeakPolarHBondContact O-CA 3.43Å; C172-G190 PolarHBondContact O-N 2.97Å; C172-H202 HydrophobicContact CB-CB 4.3Å; C172-H202 WeakPolarHBondContact CB-O 3.35Å; C172-A204 PolarHBondContact SG-O 3.3Å |
| 173 | S | 92.4 | Very high | 92.3 | Very high | 9 Ų | 9 | 33.1 Ų | 33.1 | 6% | 0.063 | 16% | 0.159 | C | C | . | . | trans | -92.5 | 148.4 | 175.3 | 69 | 0 | 0 | 0 | 0 | 112.1 | H149 A168 D171 I188 | H149-S173 PolarHBondContact CE1-O 3.45Å; H149-S173 PolarHBondContact ND1-OG 2.85Å; A168-S173 WeakPolarHBondContact CA-O 3.44Å; D171-S173 PolarHBondContact O-N 2.93Å; D171-S173 WeakPolarHBondContact OD1-CB 3.5Å; D171-S173 PolarHBondContact OD1-N 3.49Å; D171-S173 PolarHBondContact OD1-OG 3.31Å; S173-I188 CarbonylContact C-O 3.57Å; S173-I188 WeakPolarHBondContact CA-O 3.43Å; S173-I188 VanDerWaalsContact CB-O 3.24Å; S173-I188 WeakPolarHBondContact CB-O 3.44Å | ||
| 174 | I | 94.6 | Very high | 92.3 | Very high | 3 Ų | 3 | 30.3 Ų | 30.3 | 2% | 0.015 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 128.7 | 170.9 | -56.1 | 162.9 | 0 | 0 | 0 | 107.2 | F166 S167 A168 T187 I188 I206 M209 L218 T220 W230 | F166-I174 HydrophobicContact CD1-CG2 4.42Å; S167-I174 CarbonylContact O-C 3.34Å; S167-I174 WeakPolarHBondContact O-CA 3.11Å; A168-I174 HydrophobicContact CB-CG1 4.31Å; I174-T187 CarbonylContact O-C 3.56Å; I174-T187 WeakPolarHBondContact O-CA 3.48Å; I174-I188 HydrophobicContact CB-CB 4.21Å; I174-I188 HydrophobicContact CB-CD1 4.09Å; I174-I188 HydrophobicContact CD1-CD1 4.05Å; I174-I188 HydrophobicContact CG2-CD1 4.43Å; I174-I188 PolarHBondContact N-O 2.9Å; I174-I188 PolarHBondContact O-N 2.91Å; I174-I206 HydrophobicContact CD1-CD1 4.1Å; I174-I206 HydrophobicContact CG1-CD1 3.56Å; I174-M209 HydrophobicContact CG2-CE 3.87Å; I174-L218 HydrophobicContact CG2-CD2 4.38Å; I174-T220 HydrophobicContact CD1-CG2 3.62Å; I174-T220 HydrophobicContact CG1-CG2 4.48Å; I174-W230 HydrophobicContact CD1-CZ2 4.27Å |
| 175 | I | 94.9 | Very high | 92.2 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.015 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 130.4 | 176.8 | -56.7 | 176 | 0 | 0 | 0 | 108.9 | F166 S167 W177 K184 H186 T187 | F166-I175 WeakPolarHBondContact CA-O 3.13Å; S167-I175 PolarHBondContact N-O 3.14Å; S167-I175 PolarHBondContact O-N 3.06Å; I175-W177 HydrophobicContact CB-CZ2 4.32Å; I175-W177 HydrophobicContact CD1-CZ2 4.03Å; I175-W177 HydrophobicContact CG2-CD2 3.89Å; I175-W177 HydrophobicContact CG2-CG 4.18Å; I175-W177 HydrophobicContact CG2-CZ2 3.77Å; I175-W177 VanDerWaalsContact CG2-NE1 3.3Å; I175-K184 HydrophobicContact CG2-CB 4.29Å; I175-K184 HydrophobicContact CG2-CD 4.44Å; I175-K184 HydrophobicContact CG2-CG 3.98Å; I175-H186 WeakPolarHBondContact CG2-O 3.39Å; I175-T187 HydrophobicContact CG1-CG2 3.94Å |
| 176 | K | 95.3 | Very high | 91.9 | Very high | 27 Ų | 27 | 37.9 Ų | 37.9 | 12% | 0.117 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 123 | 168.6 | -175.8 | 176.9 | 177 | 170 | 0 | 108.4 | F166 L185 H186 G232 E233 | F166-K176 HydrophobicContact CD1-CB 3.98Å; F166-K176 HydrophobicContact CD1-CG 4.18Å; F166-K176 HydrophobicContact CE1-CB 3.74Å; F166-K176 HydrophobicContact CE1-CD 3.71Å; F166-K176 HydrophobicContact CE1-CG 3.67Å; F166-K176 HydrophobicContact CZ-CB 4.49Å; F166-K176 HydrophobicContact CZ-CD 3.73Å; F166-K176 HydrophobicContact CZ-CG 3.93Å; K176-L185 HydrophobicContact CG-CB 4.31Å; K176-L185 HydrophobicContact CG-CD1 4.36Å; K176-L185 PolarHBondContact O-N 2.85Å; K176-H186 HydrophobicContact CB-CB 4.08Å; K176-H186 PolarHBondContact N-O 3.05Å; K176-H186 PolarHBondContact O-N 3.31Å; K176-G232 PolarHBondContact NZ-O 3.22Å; K176-E233 PolarHBondContact NZ-O 3.47Å |
| 177 | W | 94.9 | Very high | 91.7 | Very high | 6 Ų | 6 | 39.9 Ų | 39.9 | 2% | 0.023 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 142.9 | -179.4 | -56.5 | 86.2 | 0 | 0 | 0 | 110.4 | L146 C164 I165 S167 I175 K183 K184 I463 | L146-W177 HydrophobicContact CB-CD2 4.39Å; L146-W177 HydrophobicContact CB-CE3 3.95Å; L146-W177 HydrophobicContact CB-CH2 4.02Å; L146-W177 HydrophobicContact CB-CZ2 4.47Å; L146-W177 HydrophobicContact CB-CZ3 3.75Å; L146-W177 HydrophobicContact CD1-CB 4.17Å; L146-W177 HydrophobicContact CD1-CD2 3.99Å; L146-W177 HydrophobicContact CD1-CE3 3.73Å; L146-W177 HydrophobicContact CD1-CG 4.22Å; L146-W177 HydrophobicContact CD1-CZ3 4.37Å; L146-W177 HydrophobicContact CG-CE3 4.39Å; C164-W177 CarbonylContact C-O 3.53Å; C164-W177 VanDerWaalsContact CA-O 3.24Å; C164-W177 WeakPolarHBondContact CA-O 3.3Å; I165-W177 HydrophobicContact CB-CB 4.37Å; I165-W177 PolarHBondContact N-O 3.34Å; I165-W177 PolarHBondContact O-N 3.06Å; S167-W177 PolarHBondContact OG-NE1 2.76Å; I175-W177 HydrophobicContact CB-CZ2 4.32Å; I175-W177 HydrophobicContact CD1-CZ2 4.03Å; I175-W177 HydrophobicContact CG2-CD2 3.89Å; I175-W177 HydrophobicContact CG2-CG 4.18Å; I175-W177 HydrophobicContact CG2-CZ2 3.77Å; I175-W177 VanDerWaalsContact CG2-NE1 3.3Å; W177-K183 WeakPolarHBondContact CA-O 3.34Å; W177-K184 HydrophobicContact CD2-CG 4.31Å; W177-K184 HydrophobicContact CE3-CG 3.7Å; W177-K184 HydrophobicContact CH2-CD 4.12Å; W177-K184 HydrophobicContact CH2-CG 3.69Å; W177-K184 HydrophobicContact CZ2-CG 4.28Å; W177-K184 HydrophobicContact CZ3-CD 4.21Å; W177-K184 HydrophobicContact CZ3-CG 3.35Å; W177-I463 HydrophobicContact CD2-CD1 4.28Å; W177-I463 HydrophobicContact CG-CD1 4.1Å; W177-I463 HydrophobicContact CZ2-CD1 4.43Å; W177-I463 VanDerWaalsContact NE1-CD1 3.28Å |
| 178 | D | 94 | Very high | 91.5 | Very high | 21 Ų | 21 | 40.5 Ų | 40.5 | 11% | 0.112 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 133 | 162.1 | 170.3 | 29.8 | 0 | 0 | 0 | 109.7 | E180 N181 G182 K183 L185 | D178-E180 PolarHBondContact OD1-N 2.87Å; D178-N181 WeakPolarHBondContact OD2-CA 3.44Å; D178-N181 WeakPolarHBondContact OD2-CB 3.42Å; D178-N181 PolarHBondContact OD2-N 3.36Å; D178-N181 PolarHBondContact OD2-ND2 2.86Å; D178-G182 WeakPolarHBondContact O-CA 3.25Å; D178-G182 PolarHBondContact O-N 2.85Å; D178-K183 PolarHBondContact N-O 2.89Å; D178-L185 HydrophobicContact CB-CD1 4.01Å; D178-L185 HydrophobicContact CB-CD2 4.07Å; D178-L185 HydrophobicContact CB-CG 3.95Å |
| 179 | V | 91 | Very high | 91.1 | Very high | 21 Ų | 21 | 46.7 Ų | 46.7 | 13% | 0.127 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -42.5 | 176.7 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | R144 D162 R163 I165 F439 | R144-V179 PolarHBondContact NH1-O 3.4Å; D162-V179 VanDerWaalsContact O-CG2 3.31Å; D162-V179 WeakPolarHBondContact O-CG2 3.43Å; R163-V179 PolarHBondContact O-N 2.85Å; I165-V179 HydrophobicContact CD1-CG2 3.65Å; I165-V179 HydrophobicContact CG1-CG2 3.68Å; V179-F439 HydrophobicContact CG1-CE1 4.14Å; V179-F439 HydrophobicContact CG1-CE2 4.47Å; V179-F439 HydrophobicContact CG1-CZ 3.99Å; V179-F439 HydrophobicContact CG2-CE2 4.49Å; V179-F439 HydrophobicContact CG2-CZ 4.17Å |
| 180 | E | 88.2 | Confident | 90.5 | Very high | 137 Ų | 137 | 47.9 Ų | 47.9 | 64% | 0.64 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -45.7 | -171.7 | -68.5 | -179.8 | -165.5 | 0 | 0 | 112.2 | R144 D178 | R144-E180 VanDerWaalsContact NH1-C 3.33Å; R144-E180 PolarHBondContact NH1-O 3.38Å; D178-E180 PolarHBondContact OD1-N 2.87Å |
| 181 | N | 86.5 | Confident | 90 | Very high | 86 Ų | 86 | 47.8 Ų | 47.8 | 46% | 0.46 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -13.6 | 177.7 | -64.7 | -106.5 | 0 | 0 | 0 | 114 | D178 K183 | D178-N181 WeakPolarHBondContact OD2-CA 3.44Å; D178-N181 WeakPolarHBondContact OD2-CB 3.42Å; D178-N181 PolarHBondContact OD2-N 3.36Å; D178-N181 PolarHBondContact OD2-ND2 2.86Å; N181-K183 HydrophobicContact CB-CB 4.22Å; N181-K183 HydrophobicContact CB-CD 3.6Å; N181-K183 HydrophobicContact CB-CG 3.77Å; N181-K183 PolarHBondContact O-N 3.23Å; N181-K183 PolarHBondContact OD1-NZ 2.89Å |
| 182 | G | 84.6 | Confident | 89.3 | Confident | 14 Ų | 14 | 56.1 Ų | 56.1 | 14% | 0.144 | 28% | 0.276 | C | S | . | . | trans | 66.1 | 14.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | D178 | D178-G182 WeakPolarHBondContact O-CA 3.25Å; D178-G182 PolarHBondContact O-N 2.85Å | ||
| 183 | K | 89.4 | Confident | 88.3 | Confident | 126 Ų | 126 | 64.1 Ų | 64.1 | 55% | 0.548 | 31% | 0.309 | S | S | . | . | trans | -86.3 | 151.1 | -174.8 | -71 | 168.5 | -172.1 | 154.8 | 0 | 111 | W177 D178 N181 L185 | W177-K183 WeakPolarHBondContact CA-O 3.34Å; D178-K183 PolarHBondContact N-O 2.89Å; N181-K183 HydrophobicContact CB-CB 4.22Å; N181-K183 HydrophobicContact CB-CD 3.6Å; N181-K183 HydrophobicContact CB-CG 3.77Å; N181-K183 PolarHBondContact O-N 3.23Å; N181-K183 PolarHBondContact OD1-NZ 2.89Å; K183-L185 PolarHBondContact O-N 2.8Å | ||
| 184 | K | 92.4 | Very high | 87.3 | Confident | 105 Ų | 105 | 67 Ų | 67 | 46% | 0.457 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 116 | 168.3 | -59.9 | 173.6 | -170.7 | 166.1 | 0 | 108 | R147 I175 W177 | R147-K184 WeakPolarHBondContact O-CE 3.27Å; R147-K184 PolarHBondContact O-NZ 2.82Å; I175-K184 HydrophobicContact CG2-CB 4.29Å; I175-K184 HydrophobicContact CG2-CD 4.44Å; I175-K184 HydrophobicContact CG2-CG 3.98Å; W177-K184 HydrophobicContact CD2-CG 4.31Å; W177-K184 HydrophobicContact CE3-CG 3.7Å; W177-K184 HydrophobicContact CH2-CD 4.12Å; W177-K184 HydrophobicContact CH2-CG 3.69Å; W177-K184 HydrophobicContact CZ2-CG 4.28Å; W177-K184 HydrophobicContact CZ3-CD 4.21Å; W177-K184 HydrophobicContact CZ3-CG 3.35Å |
| 185 | L | 90.6 | Very high | 86.4 | Confident | 99 Ų | 99 | 69.3 Ų | 69.3 | 52% | 0.518 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | -42.5 | 173.8 | -64.1 | 178.8 | 0 | 0 | 0 | 110.9 | K176 D178 K183 | K176-L185 HydrophobicContact CG-CB 4.31Å; K176-L185 HydrophobicContact CG-CD1 4.36Å; K176-L185 PolarHBondContact O-N 2.85Å; D178-L185 HydrophobicContact CB-CD1 4.01Å; D178-L185 HydrophobicContact CB-CD2 4.07Å; D178-L185 HydrophobicContact CB-CG 3.95Å; K183-L185 PolarHBondContact O-N 2.8Å |
| 186 | H | 90 | Very high | 85.1 | Confident | 76 Ų | 76 | 72.9 Ų | 72.9 | 35% | 0.352 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 155.9 | -179.3 | -166.4 | 88.2 | 0 | 0 | 0 | 111.2 | I175 K176 C235 | I175-H186 WeakPolarHBondContact CG2-O 3.39Å; K176-H186 HydrophobicContact CB-CB 4.08Å; K176-H186 PolarHBondContact N-O 3.05Å; K176-H186 PolarHBondContact O-N 3.31Å; H186-C235 HydrophobicContact CB-CB 4.31Å; H186-C235 WeakPolarHBondContact CD2-CB 3.25Å |
| 187 | T | 91.4 | Very high | 83.6 | Confident | 42 Ų | 42 | 80.1 Ų | 80.1 | 26% | 0.258 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 108.4 | 174.4 | -64.5 | 0 | 0 | 0 | 0 | 110.1 | I174 I175 H189 | I174-T187 CarbonylContact O-C 3.56Å; I174-T187 WeakPolarHBondContact O-CA 3.48Å; I175-T187 HydrophobicContact CG1-CG2 3.94Å; T187-H189 VanDerWaalsContact CG2-CE1 3.41Å; T187-H189 WeakPolarHBondContact CG2-CE1 3.3Å |
| 188 | I | 90.3 | Very high | 82.2 | Confident | 13 Ų | 13 | 91.2 Ų | 91.2 | 7% | 0.067 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 117.5 | 166.1 | -60.6 | 155.6 | 0 | 0 | 0 | 106.4 | S173 I174 W230 C235 | S173-I188 CarbonylContact C-O 3.57Å; S173-I188 WeakPolarHBondContact CA-O 3.43Å; S173-I188 VanDerWaalsContact CB-O 3.24Å; S173-I188 WeakPolarHBondContact CB-O 3.44Å; I174-I188 HydrophobicContact CB-CB 4.21Å; I174-I188 HydrophobicContact CB-CD1 4.09Å; I174-I188 HydrophobicContact CD1-CD1 4.05Å; I174-I188 HydrophobicContact CG2-CD1 4.43Å; I174-I188 PolarHBondContact N-O 2.9Å; I174-I188 PolarHBondContact O-N 2.91Å; I188-W230 HydrophobicContact CD1-CD2 3.81Å; I188-W230 HydrophobicContact CD1-CE3 3.43Å; I188-W230 VanDerWaalsContact CD1-CE3 3.43Å; I188-W230 HydrophobicContact CD1-CH2 4.09Å; I188-W230 HydrophobicContact CD1-CZ2 4.4Å; I188-W230 HydrophobicContact CD1-CZ3 3.58Å; I188-W230 HydrophobicContact CG1-CE3 4.28Å; I188-W230 HydrophobicContact CG1-CZ3 4Å; I188-W230 HydrophobicContact CG2-CH2 3.67Å; I188-W230 HydrophobicContact CG2-CZ2 4.36Å; I188-W230 HydrophobicContact CG2-CZ3 3.94Å; I188-C235 HydrophobicContact CD1-CB 4.09Å; I188-C235 HydrophobicContact CG1-CB 4.33Å |
| 189 | H | 87 | Confident | 81.2 | Confident | 129 Ų | 129 | 93.2 Ų | 93.2 | 60% | 0.597 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -81.1 | 143.9 | 171.9 | -69.3 | -46.5 | 0 | 0 | 0 | 111.1 | T187 H199 | T187-H189 VanDerWaalsContact CG2-CE1 3.41Å; T187-H189 WeakPolarHBondContact CG2-CE1 3.3Å; H189-H199 PolarHBondContact O-CE1 3.05Å; H189-H199 PolarHBondContact O-NE2 2.88Å |
| 190 | G | 82.4 | Confident | 80.4 | Confident | 25 Ų | 25 | 96.9 Ų | 96.9 | 26% | 0.258 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 148 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | C172 H202 | C172-G190 WeakPolarHBondContact O-CA 3.43Å; C172-G190 PolarHBondContact O-N 2.97Å; G190-H202 CarbonylContact C-O 3.56Å; G190-H202 WeakPolarHBondContact CA-O 3.21Å |
| 191 | G | 80.1 | Confident | 79.9 | Confident | 12 Ų | 12 | 90.5 Ų | 90.5 | 12% | 0.124 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -76.3 | 170.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | H199 H202 | G191-H199 WeakPolarHBondContact CA-CD2 3.43Å; G191-H199 PolarHBondContact N-CD2 3.25Å; G191-H199 VanDerWaalsContact N-CD2 3.3Å; G191-H199 PolarHBondContact N-NE2 2.8Å; G191-H202 PolarHBondContact N-O 3.16Å |
| 192 | R | 75.4 | Confident | 79.8 | Confident | 211 Ų | 211 | 86.4 Ų | 86.4 | 80% | 0.796 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -92.6 | 150.1 | 168.4 | -66.4 | -174.8 | -178.3 | -174.8 | 1.9 | 109 | G194 T195 T203 | R192-G194 PolarHBondContact O-N 2.86Å; R192-G194 VanDerWaalsContact O-N 3.15Å; R192-T195 HydrophobicContact CB-CG2 4.08Å; R192-T195 PolarHBondContact N-OG1 2.82Å; R192-T195 VanDerWaalsContact N-OG1 3.15Å; R192-T195 PolarHBondContact O-N 2.92Å; R192-T195 PolarHBondContact O-OG1 3.32Å; R192-T203 VanDerWaalsContact O-CG2 3.29Å; R192-T203 WeakPolarHBondContact O-CG2 3.37Å |
| 193 | K | 69.9 | Low | 79.9 | Confident | 181 Ų | 181 | 86.3 Ų | 86.3 | 79% | 0.787 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 123.9 | 173.8 | -171.2 | 170 | -175.1 | 170.6 | 0 | 109.8 | ||
| 194 | G | 69.5 | Low | 79.9 | Confident | 70 Ų | 70 | 81.1 Ų | 81.1 | 72% | 0.722 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.8 | 4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | R192 | R192-G194 PolarHBondContact O-N 2.86Å; R192-G194 VanDerWaalsContact O-N 3.15Å |
| 195 | T | 75.7 | Confident | 79.9 | Confident | 52 Ų | 52 | 80.2 Ų | 80.2 | 32% | 0.319 | 41% | 0.407 | S | S | . | . | trans | -102.6 | 26.3 | 171.8 | 70.1 | 0 | 0 | 0 | 0 | 113.2 | R192 D197 R198 H199 | R192-T195 HydrophobicContact CB-CG2 4.08Å; R192-T195 PolarHBondContact N-OG1 2.82Å; R192-T195 VanDerWaalsContact N-OG1 3.15Å; R192-T195 PolarHBondContact O-N 2.92Å; R192-T195 PolarHBondContact O-OG1 3.32Å; T195-D197 PolarHBondContact O-N 2.99Å; T195-R198 PolarHBondContact O-N 2.71Å; T195-R198 VanDerWaalsContact O-N 3.16Å; T195-H199 WeakPolarHBondContact O-CB 3.4Å; T195-H199 PolarHBondContact O-N 2.86Å | ||
| 196 | E | 68.5 | Low | 80.1 | Confident | 78 Ų | 78 | 75.5 Ų | 75.5 | 36% | 0.364 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -34.7 | -165.2 | -68.8 | 177.4 | -162 | 0 | 0 | 113.9 | R198 T203 N224 | E196-R198 VanDerWaalsContact C-N 3.28Å; E196-R198 PolarHBondContact O-N 3.24Å; E196-T203 VanDerWaalsContact CD-OG1 3.31Å; E196-T203 HydrophobicContact CG-CG2 3.44Å; E196-T203 VanDerWaalsContact CG-CG2 3.44Å; E196-T203 WeakPolarHBondContact CG-OG1 3.4Å; E196-T203 PolarHBondContact OE1-OG1 2.84Å; E196-N224 PolarHBondContact OE1-ND2 3.18Å |
| 197 | D | 63.7 | Low | 80.2 | Confident | 178 Ų | 178 | 72.1 Ų | 72.1 | 95% | 0.952 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -9.9 | 176.3 | -59 | -36.5 | 0 | 0 | 0 | 113.4 | T195 | T195-D197 PolarHBondContact O-N 2.99Š|
| 198 | R | 65.8 | Low | 80.4 | Confident | 239 Ų | 239 | 70.5 Ų | 70.5 | 90% | 0.902 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.1 | -18.3 | -172.9 | -170 | 171.2 | 179.9 | -177.9 | 1.5 | 114 | T195 E196 | T195-R198 PolarHBondContact O-N 2.71Å; T195-R198 VanDerWaalsContact O-N 3.16Å; E196-R198 VanDerWaalsContact C-N 3.28Å; E196-R198 PolarHBondContact O-N 3.24Å |
| 199 | H | 72.7 | Confident | 80.7 | Confident | 64 Ų | 64 | 70.6 Ų | 70.6 | 30% | 0.296 | 36% | 0.357 | S | S | . | . | trans | -119.6 | 120.7 | -177.4 | -174.1 | 77.9 | 0 | 0 | 0 | 111.4 | H189 G191 T195 G201 | H189-H199 PolarHBondContact O-CE1 3.05Å; H189-H199 PolarHBondContact O-NE2 2.88Å; G191-H199 WeakPolarHBondContact CA-CD2 3.43Å; G191-H199 PolarHBondContact N-CD2 3.25Å; G191-H199 VanDerWaalsContact N-CD2 3.3Å; G191-H199 PolarHBondContact N-NE2 2.8Å; T195-H199 WeakPolarHBondContact O-CB 3.4Å; T195-H199 PolarHBondContact O-N 2.86Å; H199-G201 VanDerWaalsContact C-N 3.3Å; H199-G201 PolarHBondContact CD2-N 3.01Å; H199-G201 PolarHBondContact O-N 2.72Å | ||
| 200 | V | 74.3 | Confident | 81.1 | Confident | 97 Ų | 97 | 64.7 Ų | 64.7 | 59% | 0.588 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -80.4 | 79.3 | 177.3 | -175.8 | 0 | 0 | 0 | 0 | 109.1 | W230 H237 | V200-W230 HydrophobicContact CG1-CZ3 4.46Å; V200-H237 HydrophobicContact CG1-CB 3.3Å |
| 201 | G | 78.3 | Confident | 81.7 | Confident | 3 Ų | 3 | 64.1 Ų | 64.1 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | S | Bend | trans | 166.8 | 163.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | H199 T203 | H199-G201 VanDerWaalsContact C-N 3.3Å; H199-G201 PolarHBondContact CD2-N 3.01Å; H199-G201 PolarHBondContact O-N 2.72Å; G201-T203 PolarHBondContact O-N 2.63Å |
| 202 | H | 84.6 | Confident | 82.4 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | trans | -58.1 | 131.9 | -173.8 | -66.9 | -74.3 | 0 | 0 | 0 | 113.3 | C172 G190 G191 I206 T220 D222 | C172-H202 HydrophobicContact CB-CB 4.3Å; C172-H202 WeakPolarHBondContact CB-O 3.35Å; G190-H202 CarbonylContact C-O 3.56Å; G190-H202 WeakPolarHBondContact CA-O 3.21Å; G191-H202 PolarHBondContact N-O 3.16Å; H202-I206 HydrophobicContact CB-CD1 4.09Å; H202-I206 HydrophobicContact CB-CG1 3.86Å; H202-I206 VanDerWaalsContact CD2-CD1 3.44Å; H202-I206 WeakPolarHBondContact CD2-CD1 3.37Å; H202-T220 PolarHBondContact CE1-OG1 3.46Å; H202-T220 WeakPolarHBondContact NE2-CB 3.48Å; H202-T220 PolarHBondContact NE2-OG1 3.02Å; H202-D222 IonicContact ND1-OD2 3.58Å | ||
| 203 | T | 86.9 | Confident | 83.2 | Confident | 12 Ų | 12 | 55.4 Ų | 55.4 | 7% | 0.074 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -98 | -7.1 | 176.6 | 51.6 | 0 | 0 | 0 | 0 | 113.6 | R192 E196 G201 N224 | R192-T203 VanDerWaalsContact O-CG2 3.29Å; R192-T203 WeakPolarHBondContact O-CG2 3.37Å; E196-T203 VanDerWaalsContact CD-OG1 3.31Å; E196-T203 HydrophobicContact CG-CG2 3.44Å; E196-T203 VanDerWaalsContact CG-CG2 3.44Å; E196-T203 WeakPolarHBondContact CG-OG1 3.4Å; E196-T203 PolarHBondContact OE1-OG1 2.84Å; G201-T203 PolarHBondContact O-N 2.63Å; T203-N224 PolarHBondContact OG1-ND2 3.15Å |
| 204 | A | 89.1 | Confident | 84.2 | Confident | 16 Ų | 16 | 49.6 Ų | 49.6 | 13% | 0.132 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -133.4 | 171 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | C172 I206 M223 N224 | C172-A204 PolarHBondContact SG-O 3.3Å; A204-I206 PolarHBondContact O-N 2.75Å; A204-M223 HydrophobicContact CB-CB 4.09Å; A204-N224 HydrophobicContact CB-CB 4.28Å; A204-N224 VanDerWaalsContact CB-CG 3.44Å; A204-N224 WeakPolarHBondContact CB-OD1 3.22Å |
| 205 | H | 91.3 | Very high | 85.2 | Confident | 86 Ų | 86 | 47 Ų | 47 | 40% | 0.398 | 24% | 0.241 | S | C | . | . | trans | -59.1 | 127.6 | -174.4 | -53.8 | -34.7 | 0 | 0 | 0 | 111.3 | K170 D222 M223 | K170-H205 PolarHBondContact O-CE1 3.31Å; K170-H205 VanDerWaalsContact O-CE1 3.27Å; K170-H205 PolarHBondContact O-ND1 2.94Å; H205-D222 WeakPolarHBondContact O-CA 3.45Å; H205-M223 PolarHBondContact O-N 3.41Å | ||
| 206 | I | 94.2 | Very high | 86 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 123.1 | 173.5 | -56.4 | 164.5 | 0 | 0 | 0 | 107.1 | T154 A168 I174 H202 A204 M209 | T154-I206 VanDerWaalsContact CB-O 3.22Å; T154-I206 WeakPolarHBondContact CB-O 3.26Å; T154-I206 PolarHBondContact OG1-O 3.48Å; A168-I206 HydrophobicContact CB-CB 3.87Å; A168-I206 HydrophobicContact CB-CD1 3.81Å; A168-I206 HydrophobicContact CB-CG1 4.46Å; A168-I206 HydrophobicContact CB-CG2 3.69Å; I174-I206 HydrophobicContact CD1-CD1 4.1Å; I174-I206 HydrophobicContact CG1-CD1 3.56Å; H202-I206 HydrophobicContact CB-CD1 4.09Å; H202-I206 HydrophobicContact CB-CG1 3.86Å; H202-I206 VanDerWaalsContact CD2-CD1 3.44Å; H202-I206 WeakPolarHBondContact CD2-CD1 3.37Å; A204-I206 PolarHBondContact O-N 2.75Å; I206-M209 HydrophobicContact CG2-CG 4.11Å |
| 207 | L | 93.9 | Very high | 87.3 | Confident | 6 Ų | 6 | 48.6 Ų | 48.6 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | -31.6 | -176.8 | -63 | -179.5 | 0 | 0 | 0 | 112.6 | G221 M223 P247 V248 | L207-G221 PolarHBondContact N-O 3.01Å; L207-M223 HydrophobicContact CD1-SD 3.87Å; L207-P247 HydrophobicContact CD1-CB 4.05Å; L207-V248 WeakPolarHBondContact CB-O 3.27Å |
| 208 | C | 94.6 | Very high | 88.8 | Confident | 8 Ų | 8 | 40.2 Ų | 40.2 | 5% | 0.054 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 155.4 | -173.1 | 59.2 | 0 | 0 | 0 | 0 | 112 | G221 V248 L251 | C208-G221 PolarHBondContact N-O 2.7Å; C208-G221 PolarHBondContact O-N 2.85Å; C208-V248 PolarHBondContact SG-O 2.76Å; C208-L251 HydrophobicContact CB-CB 4.5Å |
| 209 | M | 96.1 | Very high | 90.3 | Very high | 14 Ų | 14 | 28.8 Ų | 28.8 | 7% | 0.069 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 149.7 | -179.6 | -69.8 | -177.5 | 72.9 | 0 | 0 | 109.6 | V157 F166 A168 I174 I206 L218 A219 T220 | V157-M209 HydrophobicContact CG2-CB 3.54Å; V157-M209 WeakPolarHBondContact CG2-O 3.42Å; F166-M209 HydrophobicContact CB-CE 3.86Å; A168-M209 HydrophobicContact CB-CG 4.35Å; A168-M209 HydrophobicContact CB-SD 3.4Å; A168-M209 WeakPolarHBondContact CB-SD 3.19Å; I174-M209 HydrophobicContact CG2-CE 3.87Å; I206-M209 HydrophobicContact CG2-CG 4.11Å; M209-L218 HydrophobicContact CE-CD1 3.83Å; M209-L218 HydrophobicContact CE-CD2 3.75Å; M209-L218 HydrophobicContact CE-CG 4.01Å; M209-A219 CarbonylContact C-O 3.51Å; M209-A219 VanDerWaalsContact CA-O 3.27Å; M209-A219 WeakPolarHBondContact CA-O 3.47Å; M209-T220 HydrophobicContact CE-CG2 3.55Å; M209-T220 HydrophobicContact CG-CG2 3.75Å; M209-T220 HydrophobicContact SD-CG2 4.25Å |
| 210 | A | 96.1 | Very high | 91.4 | Very high | 6 Ų | 6 | 25.8 Ų | 25.8 | 5% | 0.05 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 155.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | L218 A219 L251 F253 | A210-L218 CarbonylContact O-C 3.56Å; A210-A219 PolarHBondContact N-O 2.75Å; A210-A219 PolarHBondContact O-N 2.85Å; A210-L251 HydrophobicContact CB-CB 4.03Å; A210-F253 HydrophobicContact CB-CD2 3.75Å; A210-F253 HydrophobicContact CB-CE2 4.27Å |
| 211 | I | 95.6 | Very high | 92.4 | Very high | 13 Ų | 13 | 21.1 Ų | 21.1 | 7% | 0.067 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 145.7 | 172.7 | -158 | 175.3 | 0 | 0 | 0 | 109.9 | V157 T159 F166 Y217 L218 F253 | V157-I211 HydrophobicContact CG1-CB 3.71Å; V157-I211 HydrophobicContact CG1-CG2 3.42Å; V157-I211 VanDerWaalsContact CG1-CG2 3.42Å; T159-I211 HydrophobicContact CG2-CD1 3.87Å; F166-I211 HydrophobicContact CD2-CD1 4.22Å; F166-I211 HydrophobicContact CE2-CD1 3.77Å; I211-Y217 CarbonylContact C-O 3.6Å; I211-Y217 WeakPolarHBondContact CA-O 3.14Å; I211-Y217 WeakPolarHBondContact CG1-O 3.46Å; I211-L218 HydrophobicContact CB-CD1 4.17Å; I211-L218 HydrophobicContact CG1-CD1 4.25Å; I211-F253 WeakPolarHBondContact O-CD2 3.43Å |
| 212 | S | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -65.7 | 159.9 | 173.6 | 61.6 | 0 | 0 | 0 | 0 | 111.6 | P160 D214 G215 K216 Y217 | P160-S212 WeakPolarHBondContact CG-O 3.36Å; S212-D214 WeakPolarHBondContact CB-OD1 3.39Å; S212-D214 PolarHBondContact O-N 2.72Å; S212-D214 PolarHBondContact OG-OD1 3.09Å; S212-G215 PolarHBondContact O-N 3.06Å; S212-G215 VanDerWaalsContact O-N 3.1Å; S212-K216 PolarHBondContact OG-N 2.88Å; S212-Y217 PolarHBondContact N-O 2.98Å; S212-Y217 PolarHBondContact OG-N 2.91Å; S212-Y217 PolarHBondContact OG-O 3.41Å | ||
| 213 | S | 91.3 | Very high | 93.4 | Very high | 40 Ų | 40 | 25 Ų | 25 | 28% | 0.28 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -11.8 | -173.6 | -58.3 | 0 | 0 | 0 | 0 | 114.7 | P160 R254 K255 G256 | P160-S213 VanDerWaalsContact CG-O 3.29Å; P160-S213 WeakPolarHBondContact CG-O 3.45Å; S213-R254 PolarHBondContact OG-O 3.44Å; S213-K255 VanDerWaalsContact OG-CA 3.32Å; S213-K255 WeakPolarHBondContact OG-CA 3.45Å; S213-G256 PolarHBondContact OG-N 2.7Å |
| 214 | D | 91.1 | Very high | 93.6 | Very high | 59 Ų | 59 | 26.7 Ų | 26.7 | 32% | 0.316 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 6.4 | 176.6 | 68 | -20.5 | 0 | 0 | 0 | 112.7 | S212 K216 H258 | S212-D214 WeakPolarHBondContact CB-OD1 3.39Å; S212-D214 PolarHBondContact O-N 2.72Å; S212-D214 PolarHBondContact OG-OD1 3.09Å; D214-K216 PolarHBondContact O-N 3.36Å; D214-K216 VanDerWaalsContact O-N 3.07Å; D214-K216 PolarHBondContact OD1-N 3.49Å; D214-K216 VanDerWaalsContact OD2-CD 3.28Å; D214-K216 WeakPolarHBondContact OD2-CD 3.21Å; D214-K216 VanDerWaalsContact OD2-CE 3.23Å; D214-K216 WeakPolarHBondContact OD2-CE 3.36Å; D214-K216 WeakPolarHBondContact OD2-CG 3.2Å; D214-K216 IonicContact OD2-NZ 2.7Å; D214-K216 PolarHBondContact OD2-NZ 2.94Å; D214-H258 IonicContact OD1-CE1 3.97Å; D214-H258 PolarHBondContact OD1-CE1 2.8Å; D214-H258 IonicContact OD2-CE1 2.71Å; D214-H258 PolarHBondContact OD2-CE1 3.42Å; D214-H258 VanDerWaalsContact OD2-CE1 3.24Å; D214-H258 IonicContact OD2-NE2 2.67Å |
| 215 | G | 91 | Very high | 93.7 | Very high | 14 Ų | 14 | 28.1 Ų | 28.1 | 14% | 0.144 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 71.4 | -7.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | S212 Y217 G232 | S212-G215 PolarHBondContact O-N 3.06Å; S212-G215 VanDerWaalsContact O-N 3.1Å; G215-Y217 PolarHBondContact O-N 3.12Å; G215-G232 WeakPolarHBondContact O-CA 3.49Å |
| 216 | K | 92.5 | Very high | 93.8 | Very high | 117 Ų | 117 | 24.9 Ų | 24.9 | 51% | 0.509 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -66.3 | -36.2 | -174.6 | -68.5 | -167.8 | -151.6 | 107.2 | 0 | 114.1 | S212 D214 G232 | S212-K216 PolarHBondContact OG-N 2.88Å; D214-K216 PolarHBondContact O-N 3.36Å; D214-K216 VanDerWaalsContact O-N 3.07Å; D214-K216 PolarHBondContact OD1-N 3.49Å; D214-K216 VanDerWaalsContact OD2-CD 3.28Å; D214-K216 WeakPolarHBondContact OD2-CD 3.21Å; D214-K216 VanDerWaalsContact OD2-CE 3.23Å; D214-K216 WeakPolarHBondContact OD2-CE 3.36Å; D214-K216 WeakPolarHBondContact OD2-CG 3.2Å; D214-K216 IonicContact OD2-NZ 2.7Å; D214-K216 PolarHBondContact OD2-NZ 2.94Å; K216-G232 PolarHBondContact O-N 2.89Å |
| 217 | Y | 95.3 | Very high | 93.8 | Very high | 47 Ų | 47 | 24.9 Ų | 24.9 | 18% | 0.184 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 127.8 | -174.4 | -58.5 | -59.8 | 0 | 0 | 0 | 111.9 | I211 S212 G215 I229 W230 L238 H258 V274 | I211-Y217 CarbonylContact C-O 3.6Å; I211-Y217 WeakPolarHBondContact CA-O 3.14Å; I211-Y217 WeakPolarHBondContact CG1-O 3.46Å; S212-Y217 PolarHBondContact N-O 2.98Å; S212-Y217 PolarHBondContact OG-N 2.91Å; S212-Y217 PolarHBondContact OG-O 3.41Å; G215-Y217 PolarHBondContact O-N 3.12Å; Y217-I229 HydrophobicContact CD1-CG2 4.17Å; Y217-W230 WeakPolarHBondContact CA-O 3.34Å; Y217-L238 HydrophobicContact CD1-CD1 3.88Å; Y217-L238 HydrophobicContact CE1-CD1 3.82Å; Y217-H258 AromaticContact CD2-ND1 3.68Å; Y217-H258 AromaticContact CE2-ND1 3.89Å; Y217-V274 HydrophobicContact CD1-CG1 4.14Å; Y217-V274 HydrophobicContact CD2-CG1 3.91Å; Y217-V274 HydrophobicContact CE1-CG1 4.47Å; Y217-V274 HydrophobicContact CE2-CG1 4.25Å; Y217-V274 HydrophobicContact CG-CG1 3.85Å |
| 218 | L | 95.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 115 | 171.7 | -177.3 | 77.8 | 0 | 0 | 0 | 109 | F166 I174 M209 A210 I211 T220 I229 W230 | F166-L218 HydrophobicContact CB-CD1 4.2Å; F166-L218 HydrophobicContact CD1-CD1 4.31Å; F166-L218 HydrophobicContact CD1-CD2 3.56Å; F166-L218 HydrophobicContact CD2-CD1 3.95Å; F166-L218 HydrophobicContact CE1-CD2 3.78Å; F166-L218 HydrophobicContact CE2-CD1 4.38Å; F166-L218 HydrophobicContact CG-CD1 3.9Å; F166-L218 HydrophobicContact CG-CD2 4Å; F166-L218 HydrophobicContact CZ-CD2 4.41Å; I174-L218 HydrophobicContact CG2-CD2 4.38Å; M209-L218 HydrophobicContact CE-CD1 3.83Å; M209-L218 HydrophobicContact CE-CD2 3.75Å; M209-L218 HydrophobicContact CE-CG 4.01Å; A210-L218 CarbonylContact O-C 3.56Å; I211-L218 HydrophobicContact CB-CD1 4.17Å; I211-L218 HydrophobicContact CG1-CD1 4.25Å; L218-T220 HydrophobicContact CD2-CG2 4.34Å; L218-T220 HydrophobicContact CG-CG2 4.29Å; L218-I229 WeakPolarHBondContact O-CA 3.07Å; L218-W230 HydrophobicContact CB-CB 4.3Å; L218-W230 PolarHBondContact N-O 2.96Å; L218-W230 PolarHBondContact O-N 3.49Å |
| 219 | A | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 137.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | M209 A210 I229 L251 F253 L260 | M209-A219 CarbonylContact C-O 3.51Å; M209-A219 VanDerWaalsContact CA-O 3.27Å; M209-A219 WeakPolarHBondContact CA-O 3.47Å; A210-A219 PolarHBondContact N-O 2.75Å; A210-A219 PolarHBondContact O-N 2.85Å; A219-I229 HydrophobicContact CB-CD1 3.65Å; A219-L251 HydrophobicContact CB-CD1 4.24Å; A219-F253 HydrophobicContact CB-CE2 3.63Å; A219-F253 HydrophobicContact CB-CZ 4Å; A219-L260 HydrophobicContact CB-CD1 3.73Å; A219-L260 HydrophobicContact CB-CD2 3.7Å; A219-L260 HydrophobicContact CB-CG 4.4Å |
| 220 | T | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 130.4 | -177.6 | 53.5 | 0 | 0 | 0 | 0 | 110.6 | I174 H202 M209 L218 I227 M228 W230 | I174-T220 HydrophobicContact CD1-CG2 3.62Å; I174-T220 HydrophobicContact CG1-CG2 4.48Å; H202-T220 PolarHBondContact CE1-OG1 3.46Å; H202-T220 WeakPolarHBondContact NE2-CB 3.48Å; H202-T220 PolarHBondContact NE2-OG1 3.02Å; M209-T220 HydrophobicContact CE-CG2 3.55Å; M209-T220 HydrophobicContact CG-CG2 3.75Å; M209-T220 HydrophobicContact SD-CG2 4.25Å; L218-T220 HydrophobicContact CD2-CG2 4.34Å; L218-T220 HydrophobicContact CG-CG2 4.29Å; T220-I227 CarbonylContact O-C 3.54Å; T220-I227 WeakPolarHBondContact O-CA 3.24Å; T220-M228 PolarHBondContact N-O 3.38Å; T220-M228 PolarHBondContact O-N 2.87Å; T220-M228 PolarHBondContact OG1-O 3.23Å; T220-W230 PolarHBondContact OG1-NE1 2.65Å |
| 221 | G | 94.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 135.6 | -173 | 0 | 0 | 0 | 0 | 0 | 112.7 | L207 C208 L226 L251 | L207-G221 PolarHBondContact N-O 3.01Å; C208-G221 PolarHBondContact N-O 2.7Å; C208-G221 PolarHBondContact O-N 2.85Å; G221-L226 WeakPolarHBondContact CA-O 3.5Å; G221-L251 VanDerWaalsContact N-CD1 3.29Å |
| 222 | D | 92.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 172.8 | -170.8 | 83.8 | -1.1 | 0 | 0 | 0 | 115.5 | H202 H205 N224 N225 L226 V248 | H202-D222 IonicContact ND1-OD2 3.58Å; H205-D222 WeakPolarHBondContact O-CA 3.45Å; D222-N224 PolarHBondContact O-N 3.46Å; D222-N224 VanDerWaalsContact OD1-C 3.28Å; D222-N224 VanDerWaalsContact OD1-CA 3.29Å; D222-N224 WeakPolarHBondContact OD1-CA 3.2Å; D222-N224 WeakPolarHBondContact OD1-CB 3.35Å; D222-N224 PolarHBondContact OD1-N 3.19Å; D222-N225 PolarHBondContact O-N 3.42Å; D222-N225 PolarHBondContact OD1-N 2.85Å; D222-N225 VanDerWaalsContact OD1-N 3.13Å; D222-L226 PolarHBondContact N-O 2.63Å; D222-L226 VanDerWaalsContact N-O 3.12Å; D222-L226 WeakPolarHBondContact OD1-CB 3.22Å; D222-L226 PolarHBondContact OD1-N 2.64Å; D222-V248 PolarHBondContact O-N 3.44Å |
| 223 | M | 92.3 | Very high | 93.2 | Very high | 86 Ų | 86 | 34.3 Ų | 34.3 | 42% | 0.424 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -4.4 | 175.7 | -162.1 | 73.6 | -174.8 | 0 | 0 | 113.9 | A204 H205 L207 P247 | A204-M223 HydrophobicContact CB-CB 4.09Å; H205-M223 PolarHBondContact O-N 3.41Å; L207-M223 HydrophobicContact CD1-SD 3.87Å; M223-P247 HydrophobicContact CE-CB 4.47Å; M223-P247 HydrophobicContact CE-CG 3.73Å; M223-P247 HydrophobicContact CG-CG 4.15Å; M223-P247 HydrophobicContact SD-CB 3.66Å; M223-P247 HydrophobicContact SD-CG 3.47Å; M223-P247 WeakPolarHBondContact SD-CG 3.49Å |
| 224 | N | 90.9 | Very high | 93 | Very high | 46 Ų | 46 | 34.8 Ų | 34.8 | 25% | 0.246 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 13.6 | 174.2 | -75 | -10.3 | 0 | 0 | 0 | 112.5 | E196 T203 A204 D222 L226 | E196-N224 PolarHBondContact OE1-ND2 3.18Å; T203-N224 PolarHBondContact OG1-ND2 3.15Å; A204-N224 HydrophobicContact CB-CB 4.28Å; A204-N224 VanDerWaalsContact CB-CG 3.44Å; A204-N224 WeakPolarHBondContact CB-OD1 3.22Å; D222-N224 PolarHBondContact O-N 3.46Å; D222-N224 VanDerWaalsContact OD1-C 3.28Å; D222-N224 VanDerWaalsContact OD1-CA 3.29Å; D222-N224 WeakPolarHBondContact OD1-CA 3.2Å; D222-N224 WeakPolarHBondContact OD1-CB 3.35Å; D222-N224 PolarHBondContact OD1-N 3.19Å; N224-L226 VanDerWaalsContact C-N 3.28Å; N224-L226 HydrophobicContact CB-CD1 4.31Å; N224-L226 HydrophobicContact CB-CG 4.3Å; N224-L226 PolarHBondContact O-N 3.26Å |
| 225 | N | 92.2 | Very high | 92.9 | Very high | 46 Ų | 46 | 32.4 Ų | 32.4 | 25% | 0.246 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 72.9 | 15.3 | 178.2 | -33.7 | -18.4 | 0 | 0 | 0 | 114.1 | D222 H244 K245 G246 P247 | D222-N225 PolarHBondContact O-N 3.42Å; D222-N225 PolarHBondContact OD1-N 2.85Å; D222-N225 VanDerWaalsContact OD1-N 3.13Å; N225-H244 HydrophobicContact CB-CB 4.2Å; N225-K245 PolarHBondContact ND2-O 3.33Å; N225-G246 WeakPolarHBondContact CB-O 3.5Å; N225-G246 PolarHBondContact ND2-N 3.07Å; N225-G246 WeakPolarHBondContact OD1-CA 3.27Å; N225-G246 PolarHBondContact OD1-O 2.93Å; N225-P247 WeakPolarHBondContact OD1-CD 3.45Å; N225-P247 VanDerWaalsContact OD1-N 3.09Å |
| 226 | L | 92.3 | Very high | 92.9 | Very high | 18 Ų | 18 | 37.8 Ų | 37.8 | 9% | 0.094 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 146 | -176.2 | -56.4 | 176 | 0 | 0 | 0 | 111 | G221 D222 N224 M228 K240 T242 | G221-L226 WeakPolarHBondContact CA-O 3.5Å; D222-L226 PolarHBondContact N-O 2.63Å; D222-L226 VanDerWaalsContact N-O 3.12Å; D222-L226 WeakPolarHBondContact OD1-CB 3.22Å; D222-L226 PolarHBondContact OD1-N 2.64Å; N224-L226 VanDerWaalsContact C-N 3.28Å; N224-L226 HydrophobicContact CB-CD1 4.31Å; N224-L226 HydrophobicContact CB-CG 4.3Å; N224-L226 PolarHBondContact O-N 3.26Å; L226-M228 HydrophobicContact CD1-CE 4.23Å; L226-K240 VanDerWaalsContact CD2-CE 3.49Å; L226-T242 HydrophobicContact CD2-CG2 3.9Å |
| 227 | I | 95.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 119 | 165.2 | -52.8 | 168.1 | 0 | 0 | 0 | 107.3 | T220 I229 K240 F241 V248 L251 L260 W272 | T220-I227 CarbonylContact O-C 3.54Å; T220-I227 WeakPolarHBondContact O-CA 3.24Å; I227-I229 HydrophobicContact CG2-CD1 4.04Å; I227-K240 CarbonylContact O-C 3.59Å; I227-K240 WeakPolarHBondContact O-CA 3.23Å; I227-F241 HydrophobicContact CB-CB 4.23Å; I227-F241 HydrophobicContact CB-CD2 4.41Å; I227-F241 HydrophobicContact CG2-CD2 4.29Å; I227-F241 PolarHBondContact N-O 2.96Å; I227-F241 PolarHBondContact O-N 3Å; I227-V248 HydrophobicContact CD1-CG1 4.41Å; I227-V248 HydrophobicContact CG1-CG1 4.15Å; I227-V248 HydrophobicContact CG1-CG2 3.93Å; I227-L251 HydrophobicContact CD1-CD2 3.98Å; I227-L251 HydrophobicContact CG1-CD2 4.3Å; I227-L251 HydrophobicContact CG2-CD1 4.21Å; I227-L251 HydrophobicContact CG2-CD2 4.16Å; I227-L260 HydrophobicContact CG2-CD2 4.13Å; I227-W272 HydrophobicContact CD1-CZ2 4.27Å |
| 228 | M | 94.6 | Very high | 92.7 | Very high | 10 Ų | 10 | 35.7 Ų | 35.7 | 5% | 0.049 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 130.7 | 173 | -62.2 | -176.4 | -166.2 | 0 | 0 | 109.8 | T220 L226 W230 Y239 | T220-M228 PolarHBondContact N-O 3.38Å; T220-M228 PolarHBondContact O-N 2.87Å; T220-M228 PolarHBondContact OG1-O 3.23Å; L226-M228 HydrophobicContact CD1-CE 4.23Å; M228-W230 HydrophobicContact CB-CZ2 4.13Å; M228-W230 HydrophobicContact SD-CZ2 3.8Å; M228-Y239 WeakPolarHBondContact CA-O 3.43Å |
| 229 | I | 95.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 130.1 | 175.5 | -51.7 | -56 | 0 | 0 | 0 | 108.9 | Y217 L218 A219 I227 L238 Y239 F241 L260 V274 | Y217-I229 HydrophobicContact CD1-CG2 4.17Å; L218-I229 WeakPolarHBondContact O-CA 3.07Å; A219-I229 HydrophobicContact CB-CD1 3.65Å; I227-I229 HydrophobicContact CG2-CD1 4.04Å; I229-L238 PolarHBondContact O-N 2.79Å; I229-Y239 PolarHBondContact N-O 3.05Å; I229-Y239 PolarHBondContact O-N 2.83Å; I229-F241 HydrophobicContact CD1-CD2 4.11Å; I229-F241 HydrophobicContact CD1-CE2 3.75Å; I229-F241 HydrophobicContact CG1-CD2 4Å; I229-F241 HydrophobicContact CG1-CE2 3.56Å; I229-F241 HydrophobicContact CG1-CZ 4.14Å; I229-L260 HydrophobicContact CD1-CD2 3.77Å; I229-V274 HydrophobicContact CG2-CG1 3.94Å |
| 230 | W | 94.9 | Very high | 92.2 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.015 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 151.2 | -178.5 | -49 | 78.2 | 0 | 0 | 0 | 111 | I174 I188 V200 Y217 L218 T220 M228 G232 K236 H237 | I174-W230 HydrophobicContact CD1-CZ2 4.27Å; I188-W230 HydrophobicContact CD1-CD2 3.81Å; I188-W230 HydrophobicContact CD1-CE3 3.43Å; I188-W230 VanDerWaalsContact CD1-CE3 3.43Å; I188-W230 HydrophobicContact CD1-CH2 4.09Å; I188-W230 HydrophobicContact CD1-CZ2 4.4Å; I188-W230 HydrophobicContact CD1-CZ3 3.58Å; I188-W230 HydrophobicContact CG1-CE3 4.28Å; I188-W230 HydrophobicContact CG1-CZ3 4Å; I188-W230 HydrophobicContact CG2-CH2 3.67Å; I188-W230 HydrophobicContact CG2-CZ2 4.36Å; I188-W230 HydrophobicContact CG2-CZ3 3.94Å; V200-W230 HydrophobicContact CG1-CZ3 4.46Å; Y217-W230 WeakPolarHBondContact CA-O 3.34Å; L218-W230 HydrophobicContact CB-CB 4.3Å; L218-W230 PolarHBondContact N-O 2.96Å; L218-W230 PolarHBondContact O-N 3.49Å; T220-W230 PolarHBondContact OG1-NE1 2.65Å; M228-W230 HydrophobicContact CB-CZ2 4.13Å; M228-W230 HydrophobicContact SD-CZ2 3.8Å; W230-G232 PolarHBondContact O-N 2.96Å; W230-K236 CarbonylContact C-O 3.6Å; W230-K236 WeakPolarHBondContact CA-O 3.21Å; W230-K236 WeakPolarHBondContact CB-O 3.48Å; W230-H237 HydrophobicContact CD2-CB 4.4Å; W230-H237 HydrophobicContact CE3-CB 3.79Å; W230-H237 VanDerWaalsContact CE3-N 3.32Å; W230-H237 HydrophobicContact CH2-CB 4.13Å; W230-H237 HydrophobicContact CZ3-CB 3.65Å |
| 231 | E | 94.6 | Very high | 92.1 | Very high | 64 Ų | 64 | 45.3 Ų | 45.3 | 30% | 0.299 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 117.4 | 168.8 | -176.8 | 171.4 | -130.3 | 0 | 0 | 109.3 | E233 T234 C235 K236 L238 | E231-E233 VanDerWaalsContact C-N 3.33Å; E231-E233 PolarHBondContact O-N 3.05Å; E231-T234 HydrophobicContact CG-CG2 4.28Å; E231-T234 WeakPolarHBondContact OE2-CB 3.09Å; E231-T234 WeakPolarHBondContact OE2-CG2 3.47Å; E231-T234 PolarHBondContact OE2-OG1 3.31Å; E231-C235 WeakPolarHBondContact O-CA 3.34Å; E231-C235 PolarHBondContact O-N 2.96Å; E231-K236 PolarHBondContact N-O 3.15Å; E231-K236 IonicContact OE2-NZ 3.49Å; E231-L238 HydrophobicContact CB-CD1 4.11Å; E231-L238 HydrophobicContact CB-CD2 4.25Å; E231-L238 HydrophobicContact CB-CG 4.22Å |
| 232 | G | 88.6 | Confident | 91.9 | Very high | 5 Ų | 5 | 49.8 Ų | 49.8 | 5% | 0.052 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -29.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | F166 K176 G215 K216 W230 | F166-G232 WeakPolarHBondContact CZ-O 3.44Å; K176-G232 PolarHBondContact NZ-O 3.22Å; G215-G232 WeakPolarHBondContact O-CA 3.49Å; K216-G232 PolarHBondContact O-N 2.89Å; W230-G232 PolarHBondContact O-N 2.96Å |
| 233 | E | 89.1 | Confident | 91.8 | Very high | 161 Ų | 161 | 51.7 Ų | 51.7 | 75% | 0.752 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -61.4 | 174 | -69.3 | -162.1 | 167 | 0 | 0 | 111.7 | K176 E231 | K176-E233 PolarHBondContact NZ-O 3.47Å; E231-E233 VanDerWaalsContact C-N 3.33Å; E231-E233 PolarHBondContact O-N 3.05Å |
| 234 | T | 87.7 | Confident | 91.9 | Very high | 50 Ų | 50 | 48.3 Ų | 48.3 | 31% | 0.307 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -14.6 | -167.7 | 76.3 | 0 | 0 | 0 | 0 | 114.4 | E231 K236 | E231-T234 HydrophobicContact CG-CG2 4.28Å; E231-T234 WeakPolarHBondContact OE2-CB 3.09Å; E231-T234 WeakPolarHBondContact OE2-CG2 3.47Å; E231-T234 PolarHBondContact OE2-OG1 3.31Å; T234-K236 PolarHBondContact O-N 2.78Å; T234-K236 WeakPolarHBondContact OG1-CB 3.4Å; T234-K236 WeakPolarHBondContact OG1-CD 3.47Å; T234-K236 VanDerWaalsContact OG1-CG 3.23Å; T234-K236 WeakPolarHBondContact OG1-CG 3.24Å; T234-K236 PolarHBondContact OG1-N 2.99Å |
| 235 | C | 89.4 | Confident | 92 | Very high | 9 Ų | 9 | 55 Ų | 55 | 6% | 0.061 | 27% | 0.273 | C | S | . | . | trans | 60.9 | 23.8 | -171.9 | -57.9 | 0 | 0 | 0 | 0 | 114.7 | H186 I188 E231 | H186-C235 HydrophobicContact CB-CB 4.31Å; H186-C235 WeakPolarHBondContact CD2-CB 3.25Å; I188-C235 HydrophobicContact CD1-CB 4.09Å; I188-C235 HydrophobicContact CG1-CB 4.33Å; E231-C235 WeakPolarHBondContact O-CA 3.34Å; E231-C235 PolarHBondContact O-N 2.96Å | ||
| 236 | K | 90.2 | Very high | 92.1 | Very high | 127 Ų | 127 | 53.1 Ų | 53.1 | 55% | 0.552 | 27% | 0.265 | S | S | * | . | trans | -74.6 | 143.7 | 170.1 | -67.8 | 167.7 | -157.8 | 153.6 | 0 | 111.2 | W230 E231 T234 | W230-K236 CarbonylContact C-O 3.6Å; W230-K236 WeakPolarHBondContact CA-O 3.21Å; W230-K236 WeakPolarHBondContact CB-O 3.48Å; E231-K236 PolarHBondContact N-O 3.15Å; E231-K236 IonicContact OE2-NZ 3.49Å; T234-K236 PolarHBondContact O-N 2.78Å; T234-K236 WeakPolarHBondContact OG1-CB 3.4Å; T234-K236 WeakPolarHBondContact OG1-CD 3.47Å; T234-K236 VanDerWaalsContact OG1-CG 3.23Å; T234-K236 WeakPolarHBondContact OG1-CG 3.24Å; T234-K236 PolarHBondContact OG1-N 2.99Å | ||
| 237 | H | 92 | Very high | 92.3 | Very high | 58 Ų | 58 | 53.2 Ų | 53.2 | 27% | 0.269 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 133.3 | 168.5 | 177.1 | -76.5 | 0 | 0 | 0 | 109.9 | V200 W230 Y239 | V200-H237 HydrophobicContact CG1-CB 3.3Å; W230-H237 HydrophobicContact CD2-CB 4.4Å; W230-H237 HydrophobicContact CE3-CB 3.79Å; W230-H237 VanDerWaalsContact CE3-N 3.32Å; W230-H237 HydrophobicContact CH2-CB 4.13Å; W230-H237 HydrophobicContact CZ3-CB 3.65Å; H237-Y239 VanDerWaalsContact CE1-C 3.49Å |
| 238 | L | 91.8 | Very high | 92.3 | Very high | 62 Ų | 62 | 53.2 Ų | 53.2 | 33% | 0.325 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | -63.6 | 174.2 | -58.2 | 175.8 | 0 | 0 | 0 | 110.1 | Y217 I229 E231 | Y217-L238 HydrophobicContact CD1-CD1 3.88Å; Y217-L238 HydrophobicContact CE1-CD1 3.82Å; I229-L238 PolarHBondContact O-N 2.79Å; E231-L238 HydrophobicContact CB-CD1 4.11Å; E231-L238 HydrophobicContact CB-CD2 4.25Å; E231-L238 HydrophobicContact CB-CG 4.22Å |
| 239 | Y | 89.3 | Confident | 92.3 | Very high | 99 Ų | 99 | 52.8 Ų | 52.8 | 39% | 0.388 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 150.8 | -169.3 | -57.1 | -81.8 | 0 | 0 | 0 | 112.9 | M228 I229 H237 N277 | M228-Y239 WeakPolarHBondContact CA-O 3.43Å; I229-Y239 PolarHBondContact N-O 3.05Å; I229-Y239 PolarHBondContact O-N 2.83Å; H237-Y239 VanDerWaalsContact CE1-C 3.49Å; Y239-N277 HydrophobicContact CD1-CB 4.18Å; Y239-N277 WeakPolarHBondContact CD2-ND2 3.43Å; Y239-N277 HydrophobicContact CE1-CB 4.28Å; Y239-N277 VanDerWaalsContact CE1-CG 3.46Å; Y239-N277 WeakPolarHBondContact CE1-OD1 3.38Å; Y239-N277 WeakPolarHBondContact CE2-ND2 3.37Å; Y239-N277 HydrophobicContact CG-CB 4.43Å; Y239-N277 VanDerWaalsContact CZ-CG 3.45Å; Y239-N277 PolarHBondContact OH-OD1 3.26Å |
| 240 | K | 91.9 | Very high | 92.2 | Very high | 92 Ų | 92 | 53 Ų | 53 | 40% | 0.4 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 105.5 | 176.4 | 175.9 | 179.4 | 174.7 | 172.5 | 0 | 108.6 | L226 I227 T242 | L226-K240 VanDerWaalsContact CD2-CE 3.49Å; I227-K240 CarbonylContact O-C 3.59Å; I227-K240 WeakPolarHBondContact O-CA 3.23Å; K240-T242 HydrophobicContact CG-CG2 4.38Å |
| 241 | F | 93.3 | Very high | 92.3 | Very high | 14 Ų | 14 | 53.2 Ų | 53.2 | 6% | 0.061 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 135.6 | 172.7 | -58.5 | -48.1 | 0 | 0 | 0 | 110.6 | I227 I229 L260 W272 V274 N277 | I227-F241 HydrophobicContact CB-CB 4.23Å; I227-F241 HydrophobicContact CB-CD2 4.41Å; I227-F241 HydrophobicContact CG2-CD2 4.29Å; I227-F241 PolarHBondContact N-O 2.96Å; I227-F241 PolarHBondContact O-N 3Å; I229-F241 HydrophobicContact CD1-CD2 4.11Å; I229-F241 HydrophobicContact CD1-CE2 3.75Å; I229-F241 HydrophobicContact CG1-CD2 4Å; I229-F241 HydrophobicContact CG1-CE2 3.56Å; I229-F241 HydrophobicContact CG1-CZ 4.14Å; F241-L260 HydrophobicContact CE2-CD2 4.29Å; F241-W272 HydrophobicContact CB-CD2 4.33Å; F241-W272 HydrophobicContact CB-CE3 3.93Å; F241-W272 HydrophobicContact CB-CH2 3.99Å; F241-W272 HydrophobicContact CB-CZ2 4.37Å; F241-W272 HydrophobicContact CB-CZ3 3.75Å; F241-W272 AromaticContact CD1-CE3 3.97Å; F241-W272 HydrophobicContact CD1-CE3 3.97Å; F241-W272 HydrophobicContact CD1-CZ3 4.27Å; F241-W272 HydrophobicContact CD2-CB 4.48Å; F241-W272 HydrophobicContact CD2-CD2 4.16Å; F241-W272 HydrophobicContact CD2-CE3 4.2Å; F241-W272 HydrophobicContact CD2-CG 4.29Å; F241-W272 HydrophobicContact CE2-CB 4.16Å; F241-W272 HydrophobicContact CE2-CG 4.46Å; F241-W272 HydrophobicContact CG-CD2 4.19Å; F241-W272 AromaticContact CG-CE3 3.79Å; F241-W272 HydrophobicContact CG-CE3 3.79Å; F241-W272 HydrophobicContact CG-CZ3 4.09Å; F241-V274 HydrophobicContact CE2-CG2 4.18Å; F241-V274 HydrophobicContact CZ-CG2 4.42Å; F241-N277 HydrophobicContact CE1-CB 4.13Å; F241-N277 WeakPolarHBondContact CE1-O 3.45Å |
| 242 | T | 91.6 | Very high | 92.4 | Very high | 94 Ų | 94 | 50.9 Ų | 50.9 | 58% | 0.577 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 130.7 | 177.3 | 54.8 | 0 | 0 | 0 | 0 | 109.1 | L226 K240 | L226-T242 HydrophobicContact CD2-CG2 3.9Å; K240-T242 HydrophobicContact CG-CG2 4.38Å |
| 243 | G | 89.6 | Confident | 92.7 | Very high | 40 Ų | 40 | 50.9 Ų | 50.9 | 41% | 0.412 | 26% | 0.258 | S | S | . | . | trans | 168.1 | -16.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | K270 | G243-K270 VanDerWaalsContact O-CE 3.28Å; G243-K270 WeakPolarHBondContact O-CE 3.34Å | ||
| 244 | H | 94.9 | Very high | 93 | Very high | 14 Ų | 14 | 45.1 Ų | 45.1 | 7% | 0.065 | 23% | 0.229 | C | C | . | . | trans | -74.8 | 148.9 | 167.1 | -80.7 | -63.8 | 0 | 0 | 0 | 111.9 | N225 S262 S264 D266 | N225-H244 HydrophobicContact CB-CB 4.2Å; H244-S262 PolarHBondContact NE2-OG 2.97Å; H244-S264 VanDerWaalsContact CE1-CB 3.45Å; H244-S264 WeakPolarHBondContact CE1-CB 3.32Å; H244-S264 WeakPolarHBondContact ND1-CB 3.34Å; H244-D266 VanDerWaalsContact CA-OD2 3.32Å; H244-D266 WeakPolarHBondContact CA-OD2 3.21Å; H244-D266 IonicContact CG-OD2 3.61Å; H244-D266 IonicContact ND1-OD1 3.49Å; H244-D266 PolarHBondContact ND1-OD1 2.94Å; H244-D266 IonicContact ND1-OD2 2.95Å; H244-D266 PolarHBondContact ND1-OD2 2.95Å | ||
| 245 | K | 94.1 | Very high | 93.1 | Very high | 186 Ų | 186 | 46.6 Ų | 46.6 | 81% | 0.809 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -99.3 | -7.2 | 177.7 | -61.9 | -178.8 | -178.2 | 178 | 0 | 113 | N225 D266 | N225-K245 PolarHBondContact ND2-O 3.33Å; K245-D266 HydrophobicContact CB-CB 3.97Å; K245-D266 PolarHBondContact N-OD2 2.89Å |
| 246 | G | 94.4 | Very high | 93 | Very high | 8 Ų | 8 | 49.4 Ų | 49.4 | 8% | 0.082 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -144.5 | 172.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | N225 S264 | N225-G246 WeakPolarHBondContact CB-O 3.5Å; N225-G246 PolarHBondContact ND2-N 3.07Å; N225-G246 WeakPolarHBondContact OD1-CA 3.27Å; N225-G246 PolarHBondContact OD1-O 2.93Å; G246-S264 VanDerWaalsContact C-OG 3.23Å; G246-S264 PolarHBondContact O-OG 3.36Å |
| 247 | P | 94.8 | Very high | 93.1 | Very high | 20 Ų | 20 | 45.2 Ų | 45.2 | 13% | 0.13 | 25% | 0.247 | C | C | . | . | trans | -45.8 | 140.6 | 179.9 | -34.2 | 35.9 | 0 | 0 | 0 | 114 | L207 M223 N225 S264 H265 | L207-P247 HydrophobicContact CD1-CB 4.05Å; M223-P247 HydrophobicContact CE-CB 4.47Å; M223-P247 HydrophobicContact CE-CG 3.73Å; M223-P247 HydrophobicContact CG-CG 4.15Å; M223-P247 HydrophobicContact SD-CB 3.66Å; M223-P247 HydrophobicContact SD-CG 3.47Å; M223-P247 WeakPolarHBondContact SD-CG 3.49Å; N225-P247 WeakPolarHBondContact OD1-CD 3.45Å; N225-P247 VanDerWaalsContact OD1-N 3.09Å; P247-S264 CarbonylContact O-C 3.58Å; P247-S264 WeakPolarHBondContact O-CA 3.4Å; P247-S264 WeakPolarHBondContact O-CB 3.18Å; P247-S264 PolarHBondContact O-OG 2.93Å; P247-H265 PolarHBondContact O-N 3.04Å | ||
| 248 | V | 96.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 110.6 | 176.5 | -169.9 | 0 | 0 | 0 | 0 | 108.5 | L207 C208 D222 I227 L251 A263 | L207-V248 WeakPolarHBondContact CB-O 3.27Å; C208-V248 PolarHBondContact SG-O 2.76Å; D222-V248 PolarHBondContact O-N 3.44Å; I227-V248 HydrophobicContact CD1-CG1 4.41Å; I227-V248 HydrophobicContact CG1-CG1 4.15Å; I227-V248 HydrophobicContact CG1-CG2 3.93Å; V248-L251 HydrophobicContact CG1-CD2 4.14Å; V248-L251 HydrophobicContact CG1-CG 4.08Å; V248-A263 CarbonylContact C-O 3.54Å; V248-A263 WeakPolarHBondContact CA-O 3.24Å; V248-A263 WeakPolarHBondContact CG1-O 3.31Å |
| 249 | S | 94.4 | Very high | 93.4 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.014 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | -22.9 | -169.8 | 53.8 | 0 | 0 | 0 | 0 | 113.9 | A263 I290 | S249-A263 PolarHBondContact N-O 3.24Å; S249-A263 PolarHBondContact OG-O 3.13Å; S249-I290 WeakPolarHBondContact CB-O 3.37Å; S249-I290 PolarHBondContact OG-O 3.14Å |
| 250 | G | 94.2 | Very high | 93.8 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 4% | 0.041 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 142.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S262 A263 | G250-S262 WeakPolarHBondContact O-CA 3.26Å; G250-A263 PolarHBondContact N-O 3.42Å; G250-A263 PolarHBondContact O-N 2.95Å |
| 251 | L | 96.7 | Very high | 94 | Very high | 9 Ų | 9 | 34 Ų | 34 | 5% | 0.047 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 138.9 | 171.5 | -75 | 169.3 | 0 | 0 | 0 | 107.6 | C208 A210 A219 G221 I227 V248 L260 Y261 | C208-L251 HydrophobicContact CB-CB 4.5Å; A210-L251 HydrophobicContact CB-CB 4.03Å; A219-L251 HydrophobicContact CB-CD1 4.24Å; G221-L251 VanDerWaalsContact N-CD1 3.29Å; I227-L251 HydrophobicContact CD1-CD2 3.98Å; I227-L251 HydrophobicContact CG1-CD2 4.3Å; I227-L251 HydrophobicContact CG2-CD1 4.21Å; I227-L251 HydrophobicContact CG2-CD2 4.16Å; V248-L251 HydrophobicContact CG1-CD2 4.14Å; V248-L251 HydrophobicContact CG1-CG 4.08Å; L251-L260 HydrophobicContact CD2-CD1 4.09Å; L251-L260 HydrophobicContact CD2-CD2 4.3Å; L251-L260 HydrophobicContact CD2-CG 4.29Å; L251-Y261 WeakPolarHBondContact CA-O 3.42Å |
| 252 | S | 96.2 | Very high | 94.2 | Very high | 15 Ų | 15 | 33.3 Ų | 33.3 | 11% | 0.105 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 143.6 | 165.1 | -159.5 | 0 | 0 | 0 | 0 | 110 | Y261 D294 S295 | S252-Y261 PolarHBondContact N-O 2.96Å; S252-Y261 PolarHBondContact O-N 2.91Å; S252-D294 PolarHBondContact OG-OD1 3.44Å; S252-S295 WeakPolarHBondContact CB-OG 3.46Å; S252-S295 PolarHBondContact OG-OG 1.85Å |
| 253 | F | 96 | Very high | 94.5 | Very high | 4 Ų | 4 | 28.8 Ų | 28.8 | 2% | 0.018 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 147.4 | 171.4 | -82.1 | -85.5 | 0 | 0 | 0 | 109.5 | A210 I211 A219 D259 L260 V274 S295 | A210-F253 HydrophobicContact CB-CD2 3.75Å; A210-F253 HydrophobicContact CB-CE2 4.27Å; I211-F253 WeakPolarHBondContact O-CD2 3.43Å; A219-F253 HydrophobicContact CB-CE2 3.63Å; A219-F253 HydrophobicContact CB-CZ 4Å; F253-D259 WeakPolarHBondContact CA-O 3.23Å; F253-L260 HydrophobicContact CD1-CB 4.15Å; F253-L260 HydrophobicContact CD1-CD1 4.23Å; F253-L260 HydrophobicContact CD2-CD1 3.96Å; F253-L260 HydrophobicContact CE1-CB 3.98Å; F253-L260 HydrophobicContact CE1-CD1 4.22Å; F253-L260 HydrophobicContact CE2-CD1 3.95Å; F253-L260 HydrophobicContact CG-CD1 4.12Å; F253-L260 HydrophobicContact CZ-CB 4.49Å; F253-L260 HydrophobicContact CZ-CD1 4.08Å; F253-V274 HydrophobicContact CE1-CB 4.23Å; F253-V274 HydrophobicContact CE1-CG2 3.69Å; F253-V274 HydrophobicContact CZ-CG2 4.14Å; F253-S295 PolarHBondContact O-OG 3.1Å |
| 254 | R | 94.3 | Very high | 94.8 | Very high | 41 Ų | 41 | 26.9 Ų | 26.9 | 16% | 0.155 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -65.1 | 144 | 164 | 176.1 | 172.4 | 164.8 | -165.3 | 17.2 | 110.4 | S213 G256 T257 D259 Y261 L296 S297 E299 | S213-R254 PolarHBondContact OG-O 3.44Å; R254-G256 PolarHBondContact O-N 3.16Å; R254-T257 WeakPolarHBondContact CB-OG1 3.38Å; R254-T257 WeakPolarHBondContact CD-OG1 3.47Å; R254-T257 HydrophobicContact CG-CG2 4.47Å; R254-T257 WeakPolarHBondContact CG-OG1 3.49Å; R254-D259 HydrophobicContact CB-CB 4.01Å; R254-D259 WeakPolarHBondContact CD-OD2 3.44Å; R254-D259 IonicContact CZ-OD2 2.87Å; R254-D259 PolarHBondContact N-O 2.96Å; R254-D259 IonicContact NE-OD2 2.96Å; R254-D259 IonicContact NH1-OD2 3.6Å; R254-D259 PolarHBondContact NH1-OD2 3.13Å; R254-Y261 HydrophobicContact CB-CE2 4.03Å; R254-Y261 WeakPolarHBondContact CD-OH 3.45Å; R254-L296 CarbonylContact C-O 3.53Å; R254-L296 WeakPolarHBondContact CA-O 3.45Å; R254-L296 WeakPolarHBondContact CG-O 3.03Å; R254-S297 PolarHBondContact NE-O 3.37Å; R254-E299 IonicContact CZ-OE1 3.5Å; R254-E299 VanDerWaalsContact NH1-CG 3.34Å; R254-E299 IonicContact NH1-OE1 3.87Å; R254-E299 PolarHBondContact NH1-OE1 2.79Å; R254-E299 IonicContact NH2-OE1 2.65Å; R254-E299 PolarHBondContact NH2-OE1 2.8Å |
| 255 | K | 90 | Very high | 94.8 | Very high | 80 Ų | 80 | 28.6 Ų | 28.6 | 35% | 0.348 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 122.2 | 178.4 | -64.6 | -61.9 | -171.7 | 179.2 | 0 | 110.6 | S213 L296 S297 | S213-K255 VanDerWaalsContact OG-CA 3.32Å; S213-K255 WeakPolarHBondContact OG-CA 3.45Å; K255-L296 PolarHBondContact N-O 2.93Å; K255-S297 WeakPolarHBondContact O-CA 3.5Å |
| 256 | G | 88.2 | Confident | 94.8 | Very high | 68 Ų | 68 | 21.4 Ų | 21.4 | 70% | 0.701 | 13% | 0.127 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87 | 1.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | S213 R254 | S213-G256 PolarHBondContact OG-N 2.7Å; R254-G256 PolarHBondContact O-N 3.16Å |
| 257 | T | 92.4 | Very high | 94.9 | Very high | 39 Ų | 39 | 26.8 Ų | 26.8 | 24% | 0.239 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -134.4 | -179.5 | 173.8 | 74.2 | 0 | 0 | 0 | 0 | 111.4 | R254 D259 | R254-T257 WeakPolarHBondContact CB-OG1 3.38Å; R254-T257 WeakPolarHBondContact CD-OG1 3.47Å; R254-T257 HydrophobicContact CG-CG2 4.47Å; R254-T257 WeakPolarHBondContact CG-OG1 3.49Å; T257-D259 WeakPolarHBondContact CB-OD2 3.38Å; T257-D259 VanDerWaalsContact OG1-CG 3.29Å; T257-D259 PolarHBondContact OG1-N 2.85Å; T257-D259 PolarHBondContact OG1-OD2 3.42Å |
| 258 | H | 94.6 | Very high | 94.9 | Very high | 36 Ų | 36 | 26 Ų | 26 | 17% | 0.167 | 14% | 0.139 | C | C | . | . | trans | -105 | 19.9 | 175.3 | -59.4 | -57.5 | 0 | 0 | 0 | 112.7 | D214 Y217 L260 V274 D275 | D214-H258 IonicContact OD1-CE1 3.97Å; D214-H258 PolarHBondContact OD1-CE1 2.8Å; D214-H258 IonicContact OD2-CE1 2.71Å; D214-H258 PolarHBondContact OD2-CE1 3.42Å; D214-H258 VanDerWaalsContact OD2-CE1 3.24Å; D214-H258 IonicContact OD2-NE2 2.67Å; Y217-H258 AromaticContact CD2-ND1 3.68Å; Y217-H258 AromaticContact CE2-ND1 3.89Å; H258-L260 PolarHBondContact O-N 2.9Å; H258-V274 HydrophobicContact CB-CB 4.42Å; H258-V274 WeakPolarHBondContact O-CB 3.15Å; H258-V274 WeakPolarHBondContact O-CG2 3.48Å; H258-V274 PolarHBondContact O-N 2.87Å; H258-V274 VanDerWaalsContact O-N 3.07Å; H258-D275 WeakPolarHBondContact CB-OD1 3.5Å; H258-D275 WeakPolarHBondContact CB-OD2 3.5Å; H258-D275 IonicContact CD2-OD1 3.09Å; H258-D275 PolarHBondContact CD2-OD1 3Å; H258-D275 IonicContact CD2-OD2 3.19Å; H258-D275 PolarHBondContact CD2-OD2 3.47Å; H258-D275 IonicContact CG-OD1 4Å; H258-D275 VanDerWaalsContact CG-OD1 3.26Å; H258-D275 IonicContact CG-OD2 2.72Å | ||
| 259 | D | 95.2 | Very high | 94.9 | Very high | 35 Ų | 35 | 26 Ų | 26 | 19% | 0.187 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 123 | 170.8 | -53.5 | -54.8 | 0 | 0 | 0 | 109.7 | F253 R254 T257 Y261 | F253-D259 WeakPolarHBondContact CA-O 3.23Å; R254-D259 HydrophobicContact CB-CB 4.01Å; R254-D259 WeakPolarHBondContact CD-OD2 3.44Å; R254-D259 IonicContact CZ-OD2 2.87Å; R254-D259 PolarHBondContact N-O 2.96Å; R254-D259 IonicContact NE-OD2 2.96Å; R254-D259 IonicContact NH1-OD2 3.6Å; R254-D259 PolarHBondContact NH1-OD2 3.13Å; T257-D259 WeakPolarHBondContact CB-OD2 3.38Å; T257-D259 VanDerWaalsContact OG1-CG 3.29Å; T257-D259 PolarHBondContact OG1-N 2.85Å; T257-D259 PolarHBondContact OG1-OD2 3.42Å; D259-Y261 HydrophobicContact CB-CE1 4.03Å |
| 260 | L | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 123 | 176.8 | 177.8 | 65.7 | 0 | 0 | 0 | 110 | A219 I227 I229 F241 L251 F253 H258 W272 V274 | A219-L260 HydrophobicContact CB-CD1 3.73Å; A219-L260 HydrophobicContact CB-CD2 3.7Å; A219-L260 HydrophobicContact CB-CG 4.4Å; I227-L260 HydrophobicContact CG2-CD2 4.13Å; I229-L260 HydrophobicContact CD1-CD2 3.77Å; F241-L260 HydrophobicContact CE2-CD2 4.29Å; L251-L260 HydrophobicContact CD2-CD1 4.09Å; L251-L260 HydrophobicContact CD2-CD2 4.3Å; L251-L260 HydrophobicContact CD2-CG 4.29Å; F253-L260 HydrophobicContact CD1-CB 4.15Å; F253-L260 HydrophobicContact CD1-CD1 4.23Å; F253-L260 HydrophobicContact CD2-CD1 3.96Å; F253-L260 HydrophobicContact CE1-CB 3.98Å; F253-L260 HydrophobicContact CE1-CD1 4.22Å; F253-L260 HydrophobicContact CE2-CD1 3.95Å; F253-L260 HydrophobicContact CG-CD1 4.12Å; F253-L260 HydrophobicContact CZ-CB 4.49Å; F253-L260 HydrophobicContact CZ-CD1 4.08Å; H258-L260 PolarHBondContact O-N 2.9Å; L260-W272 HydrophobicContact CB-CB 4.42Å; L260-W272 PolarHBondContact N-O 2.8Å; L260-W272 PolarHBondContact O-N 3.07Å; L260-V274 HydrophobicContact CB-CG2 3.67Å; L260-V274 HydrophobicContact CD2-CG2 4.14Å |
| 261 | Y | 97.3 | Very high | 95.2 | Very high | 4 Ų | 4 | 27.1 Ų | 27.1 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 139.7 | 172.5 | -50.3 | -39 | 0 | 0 | 0 | 109.9 | L251 S252 R254 D259 V271 C301 I316 | L251-Y261 WeakPolarHBondContact CA-O 3.42Å; S252-Y261 PolarHBondContact N-O 2.96Å; S252-Y261 PolarHBondContact O-N 2.91Å; R254-Y261 HydrophobicContact CB-CE2 4.03Å; R254-Y261 WeakPolarHBondContact CD-OH 3.45Å; D259-Y261 HydrophobicContact CB-CE1 4.03Å; Y261-V271 HydrophobicContact CD1-CB 4.35Å; Y261-V271 HydrophobicContact CD1-CG1 4.02Å; Y261-V271 HydrophobicContact CD1-CG2 3.95Å; Y261-V271 HydrophobicContact CE1-CG1 3.85Å; Y261-V271 HydrophobicContact CE1-CG2 4.21Å; Y261-C301 HydrophobicContact CD2-CB 3.72Å; Y261-C301 HydrophobicContact CE2-CB 4.35Å; Y261-C301 HydrophobicContact CG-CB 4.2Å; Y261-I316 HydrophobicContact CD1-CD1 3.82Å; Y261-I316 HydrophobicContact CD2-CD1 4.32Å; Y261-I316 HydrophobicContact CE1-CD1 3.28Å; Y261-I316 HydrophobicContact CE2-CD1 3.82Å; Y261-I316 HydrophobicContact CG-CD1 4.32Å |
| 262 | S | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 139.1 | -172.8 | 56.6 | 0 | 0 | 0 | 0 | 110.9 | H244 G250 V269 K270 W272 | H244-S262 PolarHBondContact NE2-OG 2.97Å; G250-S262 WeakPolarHBondContact O-CA 3.26Å; S262-V269 CarbonylContact O-C 3.57Å; S262-V269 VanDerWaalsContact O-CA 3.23Å; S262-V269 WeakPolarHBondContact O-CA 3.32Å; S262-V269 WeakPolarHBondContact O-CG1 3.19Å; S262-K270 PolarHBondContact N-O 3.22Å; S262-K270 PolarHBondContact O-N 3.4Å; S262-K270 WeakPolarHBondContact OG-CB 3.41Å; S262-K270 PolarHBondContact OG-O 3.26Å; S262-W272 PolarHBondContact OG-NE1 3.03Å |
| 263 | A | 96.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 143.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | V248 S249 G250 I290 L293 | V248-A263 CarbonylContact C-O 3.54Å; V248-A263 WeakPolarHBondContact CA-O 3.24Å; V248-A263 WeakPolarHBondContact CG1-O 3.31Å; S249-A263 PolarHBondContact N-O 3.24Å; S249-A263 PolarHBondContact OG-O 3.13Å; G250-A263 PolarHBondContact N-O 3.42Å; G250-A263 PolarHBondContact O-N 2.95Å; A263-I290 HydrophobicContact CB-CB 4.03Å; A263-I290 HydrophobicContact CB-CD1 4.12Å; A263-I290 HydrophobicContact CB-CG2 3.64Å; A263-L293 HydrophobicContact CB-CB 3.77Å; A263-L293 HydrophobicContact CB-CD1 3.76Å; A263-L293 HydrophobicContact CB-CG 4.4Å |
| 264 | S | 96.1 | Very high | 95 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 158.2 | -175.7 | 172.1 | 0 | 0 | 0 | 0 | 113 | H244 G246 P247 D266 R267 S268 | H244-S264 VanDerWaalsContact CE1-CB 3.45Å; H244-S264 WeakPolarHBondContact CE1-CB 3.32Å; H244-S264 WeakPolarHBondContact ND1-CB 3.34Å; G246-S264 VanDerWaalsContact C-OG 3.23Å; G246-S264 PolarHBondContact O-OG 3.36Å; P247-S264 CarbonylContact O-C 3.58Å; P247-S264 WeakPolarHBondContact O-CA 3.4Å; P247-S264 WeakPolarHBondContact O-CB 3.18Å; P247-S264 PolarHBondContact O-OG 2.93Å; S264-D266 WeakPolarHBondContact CB-OD1 3.33Å; S264-D266 PolarHBondContact O-N 3.1Å; S264-D266 VanDerWaalsContact OG-CG 3.26Å; S264-D266 PolarHBondContact OG-N 3.42Å; S264-D266 PolarHBondContact OG-OD1 3.42Å; S264-D266 PolarHBondContact OG-OD2 2.86Å; S264-R267 PolarHBondContact O-N 3.1Å; S264-S268 PolarHBondContact N-O 2.88Å |
| 265 | H | 95.4 | Very high | 94.9 | Very high | 50 Ų | 50 | 29.5 Ų | 29.5 | 23% | 0.231 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -10.1 | 165.5 | -62.6 | -179.9 | 0 | 0 | 0 | 113.5 | P247 R267 L289 | P247-H265 PolarHBondContact O-N 3.04Å; H265-R267 PolarHBondContact O-N 3Å; H265-L289 HydrophobicContact CB-CB 4.02Å |
| 266 | D | 94.9 | Very high | 95 | Very high | 35 Ų | 35 | 32.6 Ų | 32.6 | 19% | 0.187 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -2.5 | 167.1 | 70.4 | 22.6 | 0 | 0 | 0 | 114.2 | H244 K245 S264 S268 | H244-D266 VanDerWaalsContact CA-OD2 3.32Å; H244-D266 WeakPolarHBondContact CA-OD2 3.21Å; H244-D266 IonicContact CG-OD2 3.61Å; H244-D266 IonicContact ND1-OD1 3.49Å; H244-D266 PolarHBondContact ND1-OD1 2.94Å; H244-D266 IonicContact ND1-OD2 2.95Å; H244-D266 PolarHBondContact ND1-OD2 2.95Å; K245-D266 HydrophobicContact CB-CB 3.97Å; K245-D266 PolarHBondContact N-OD2 2.89Å; S264-D266 WeakPolarHBondContact CB-OD1 3.33Å; S264-D266 PolarHBondContact O-N 3.1Å; S264-D266 VanDerWaalsContact OG-CG 3.26Å; S264-D266 PolarHBondContact OG-N 3.42Å; S264-D266 PolarHBondContact OG-OD1 3.42Å; S264-D266 PolarHBondContact OG-OD2 2.86Å; D266-S268 VanDerWaalsContact C-N 3.25Å; D266-S268 PolarHBondContact O-N 3.02Å; D266-S268 VanDerWaalsContact OD1-CB 3.29Å; D266-S268 WeakPolarHBondContact OD1-CB 3.25Å; D266-S268 PolarHBondContact OD1-N 3.29Å; D266-S268 PolarHBondContact OD1-OG 3Å |
| 267 | R | 95.6 | Very high | 95.1 | Very high | 121 Ų | 121 | 31.9 Ų | 31.9 | 46% | 0.457 | 15% | 0.154 | S | C | . | . | S | Bend | trans | 71 | 13.7 | 178.6 | -44.6 | 177.8 | -70.5 | -179.3 | -0.2 | 114.5 | S264 H265 H286 Q287 D288 | S264-R267 PolarHBondContact O-N 3.1Å; H265-R267 PolarHBondContact O-N 3Å; R267-H286 HydrophobicContact CB-CB 4.18Å; R267-Q287 WeakPolarHBondContact CD-O 3.33Å; R267-Q287 PolarHBondContact NH1-O 3.32Å; R267-D288 WeakPolarHBondContact CG-O 3.3Å |
| 268 | S | 95.4 | Very high | 95.1 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.014 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 150.1 | 170.6 | 75 | 0 | 0 | 0 | 0 | 112.2 | S264 D266 L283 | S264-S268 PolarHBondContact N-O 2.88Å; D266-S268 VanDerWaalsContact C-N 3.25Å; D266-S268 PolarHBondContact O-N 3.02Å; D266-S268 VanDerWaalsContact OD1-CB 3.29Å; D266-S268 WeakPolarHBondContact OD1-CB 3.25Å; D266-S268 PolarHBondContact OD1-N 3.29Å; D266-S268 PolarHBondContact OD1-OG 3Å; S268-L283 WeakPolarHBondContact CA-O 3.22Å |
| 269 | V | 96.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 129.7 | 163.7 | -179.3 | 0 | 0 | 0 | 0 | 107.3 | S262 T282 L283 I290 L293 T303 W314 | S262-V269 CarbonylContact O-C 3.57Å; S262-V269 VanDerWaalsContact O-CA 3.23Å; S262-V269 WeakPolarHBondContact O-CA 3.32Å; S262-V269 WeakPolarHBondContact O-CG1 3.19Å; V269-T282 CarbonylContact O-C 3.56Å; V269-T282 WeakPolarHBondContact O-CA 3.31Å; V269-L283 HydrophobicContact CB-CB 4.35Å; V269-L283 PolarHBondContact N-O 2.84Å; V269-L283 PolarHBondContact O-N 2.91Å; V269-I290 HydrophobicContact CG2-CD1 3.62Å; V269-L293 HydrophobicContact CG1-CD1 3.87Å; V269-T303 HydrophobicContact CG2-CG2 3.87Å; V269-W314 HydrophobicContact CG2-CZ2 4.45Å |
| 270 | K | 96.6 | Very high | 95.1 | Very high | 23 Ų | 23 | 36.8 Ų | 36.8 | 10% | 0.1 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 140.4 | 177.5 | -70.6 | -179.2 | -179.4 | -74.1 | 0 | 111.8 | G243 S262 W272 Y279 E281 T282 | G243-K270 VanDerWaalsContact O-CE 3.28Å; G243-K270 WeakPolarHBondContact O-CE 3.34Å; S262-K270 PolarHBondContact N-O 3.22Å; S262-K270 PolarHBondContact O-N 3.4Å; S262-K270 WeakPolarHBondContact OG-CB 3.41Å; S262-K270 PolarHBondContact OG-O 3.26Å; K270-W272 HydrophobicContact CB-CZ2 4.09Å; K270-W272 HydrophobicContact CD-CH2 4.38Å; K270-W272 HydrophobicContact CD-CZ2 3.71Å; K270-Y279 HydrophobicContact CD-CE2 4.42Å; K270-Y279 HydrophobicContact CG-CE2 4.38Å; K270-E281 WeakPolarHBondContact CA-O 3.15Å; K270-T282 HydrophobicContact CG-CG2 3.92Å; K270-T282 PolarHBondContact NZ-OG1 3.01Å |
| 271 | V | 96.9 | Very high | 95 | Very high | 6 Ų | 6 | 39.5 Ų | 39.5 | 4% | 0.036 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 130.7 | 175.8 | -177.2 | 0 | 0 | 0 | 0 | 108.8 | Y261 V280 E281 I316 | Y261-V271 HydrophobicContact CD1-CB 4.35Å; Y261-V271 HydrophobicContact CD1-CG1 4.02Å; Y261-V271 HydrophobicContact CD1-CG2 3.95Å; Y261-V271 HydrophobicContact CE1-CG1 3.85Å; Y261-V271 HydrophobicContact CE1-CG2 4.21Å; V271-V280 HydrophobicContact CB-CB 4.22Å; V271-V280 HydrophobicContact CG1-CB 4.02Å; V271-V280 HydrophobicContact CG1-CG1 4.44Å; V271-V280 HydrophobicContact CG1-CG2 4.35Å; V271-V280 PolarHBondContact O-N 2.88Å; V271-E281 HydrophobicContact CB-CB 4.24Å; V271-E281 HydrophobicContact CG2-CB 4.31Å; V271-E281 PolarHBondContact N-O 2.97Å; V271-E281 PolarHBondContact O-N 3.38Å; V271-I316 HydrophobicContact CG2-CD1 4.27Å; V271-I316 HydrophobicContact CG2-CG2 3.95Å |
| 272 | W | 96.4 | Very high | 95 | Very high | 8 Ų | 8 | 40.8 Ų | 40.8 | 3% | 0.03 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 139.4 | 178.1 | -44.8 | 81.8 | 0 | 0 | 0 | 109.7 | I227 F241 L260 S262 K270 A278 Y279 | I227-W272 HydrophobicContact CD1-CZ2 4.27Å; F241-W272 HydrophobicContact CB-CD2 4.33Å; F241-W272 HydrophobicContact CB-CE3 3.93Å; F241-W272 HydrophobicContact CB-CH2 3.99Å; F241-W272 HydrophobicContact CB-CZ2 4.37Å; F241-W272 HydrophobicContact CB-CZ3 3.75Å; F241-W272 AromaticContact CD1-CE3 3.97Å; F241-W272 HydrophobicContact CD1-CE3 3.97Å; F241-W272 HydrophobicContact CD1-CZ3 4.27Å; F241-W272 HydrophobicContact CD2-CB 4.48Å; F241-W272 HydrophobicContact CD2-CD2 4.16Å; F241-W272 HydrophobicContact CD2-CE3 4.2Å; F241-W272 HydrophobicContact CD2-CG 4.29Å; F241-W272 HydrophobicContact CE2-CB 4.16Å; F241-W272 HydrophobicContact CE2-CG 4.46Å; F241-W272 HydrophobicContact CG-CD2 4.19Å; F241-W272 AromaticContact CG-CE3 3.79Å; F241-W272 HydrophobicContact CG-CE3 3.79Å; F241-W272 HydrophobicContact CG-CZ3 4.09Å; L260-W272 HydrophobicContact CB-CB 4.42Å; L260-W272 PolarHBondContact N-O 2.8Å; L260-W272 PolarHBondContact O-N 3.07Å; S262-W272 PolarHBondContact OG-NE1 3.03Å; K270-W272 HydrophobicContact CB-CZ2 4.09Å; K270-W272 HydrophobicContact CD-CH2 4.38Å; K270-W272 HydrophobicContact CD-CZ2 3.71Å; W272-A278 CarbonylContact C-O 3.44Å; W272-A278 VanDerWaalsContact CA-O 3.31Å; W272-A278 WeakPolarHBondContact CA-O 3.11Å; W272-Y279 HydrophobicContact CE3-CD2 4.27Å; W272-Y279 HydrophobicContact CH2-CD2 4.29Å; W272-Y279 HydrophobicContact CZ3-CD2 4.12Å; W272-Y279 HydrophobicContact CZ3-CG 4.36Å |
| 273 | N | 95.2 | Very high | 94.9 | Very high | 27 Ų | 27 | 41.1 Ų | 41.1 | 14% | 0.144 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 118.1 | 166.9 | 179.9 | -14.6 | 0 | 0 | 0 | 107.9 | D275 E276 N277 A278 V280 | N273-D275 PolarHBondContact OD1-N 3.17Å; N273-E276 HydrophobicContact CB-CB 4.43Å; N273-E276 WeakPolarHBondContact ND2-CG 2.66Å; N273-E276 PolarHBondContact ND2-OE2 3.16Å; N273-E276 PolarHBondContact OD1-N 2.9Å; N273-N277 CarbonylContact O-C 3.49Å; N273-N277 VanDerWaalsContact O-CA 3.27Å; N273-N277 WeakPolarHBondContact O-CA 3.3Å; N273-N277 PolarHBondContact O-N 2.93Å; N273-N277 VanDerWaalsContact O-N 3.1Å; N273-A278 HydrophobicContact CB-CB 4.48Å; N273-A278 PolarHBondContact N-O 2.81Å; N273-A278 PolarHBondContact O-N 3.15Å; N273-V280 HydrophobicContact CB-CG2 4.11Å |
| 274 | V | 94 | Very high | 94.8 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -25.2 | -177.6 | 179.7 | 0 | 0 | 0 | 0 | 112.8 | Y217 I229 F241 F253 H258 L260 N277 | Y217-V274 HydrophobicContact CD1-CG1 4.14Å; Y217-V274 HydrophobicContact CD2-CG1 3.91Å; Y217-V274 HydrophobicContact CE1-CG1 4.47Å; Y217-V274 HydrophobicContact CE2-CG1 4.25Å; Y217-V274 HydrophobicContact CG-CG1 3.85Å; I229-V274 HydrophobicContact CG2-CG1 3.94Å; F241-V274 HydrophobicContact CE2-CG2 4.18Å; F241-V274 HydrophobicContact CZ-CG2 4.42Å; F253-V274 HydrophobicContact CE1-CB 4.23Å; F253-V274 HydrophobicContact CE1-CG2 3.69Å; F253-V274 HydrophobicContact CZ-CG2 4.14Å; H258-V274 HydrophobicContact CB-CB 4.42Å; H258-V274 WeakPolarHBondContact O-CB 3.15Å; H258-V274 WeakPolarHBondContact O-CG2 3.48Å; H258-V274 PolarHBondContact O-N 2.87Å; H258-V274 VanDerWaalsContact O-N 3.07Å; L260-V274 HydrophobicContact CB-CG2 3.67Å; L260-V274 HydrophobicContact CD2-CG2 4.14Å; V274-N277 PolarHBondContact O-N 3.26Å; V274-N277 PolarHBondContact O-ND2 3.47Å |
| 275 | D | 91.3 | Very high | 94.7 | Very high | 85 Ų | 85 | 48.9 Ų | 48.9 | 46% | 0.455 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -47.9 | 177.1 | -63.7 | -32.6 | 0 | 0 | 0 | 111.6 | H258 N273 N277 | H258-D275 WeakPolarHBondContact CB-OD1 3.5Å; H258-D275 WeakPolarHBondContact CB-OD2 3.5Å; H258-D275 IonicContact CD2-OD1 3.09Å; H258-D275 PolarHBondContact CD2-OD1 3Å; H258-D275 IonicContact CD2-OD2 3.19Å; H258-D275 PolarHBondContact CD2-OD2 3.47Å; H258-D275 IonicContact CG-OD1 4Å; H258-D275 VanDerWaalsContact CG-OD1 3.26Å; H258-D275 IonicContact CG-OD2 2.72Å; N273-D275 PolarHBondContact OD1-N 3.17Å; D275-N277 VanDerWaalsContact C-N 3.25Å; D275-N277 PolarHBondContact O-N 3.01Å |
| 276 | E | 91.6 | Very high | 94.7 | Very high | 145 Ų | 145 | 46.9 Ų | 46.9 | 68% | 0.678 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -5.7 | 177.2 | -64.6 | 179.7 | 160.5 | 0 | 0 | 112.8 | N273 A278 | N273-E276 HydrophobicContact CB-CB 4.43Å; N273-E276 WeakPolarHBondContact ND2-CG 2.66Å; N273-E276 PolarHBondContact ND2-OE2 3.16Å; N273-E276 PolarHBondContact OD1-N 2.9Å; E276-A278 HydrophobicContact CB-CB 4.01Å; E276-A278 PolarHBondContact O-N 2.75Å |
| 277 | N | 92 | Very high | 94.6 | Very high | 52 Ų | 52 | 51.4 Ų | 51.4 | 28% | 0.278 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 29.9 | -171.4 | -35.3 | 133.1 | 0 | 0 | 0 | 113 | Y239 F241 N273 V274 D275 | Y239-N277 HydrophobicContact CD1-CB 4.18Å; Y239-N277 WeakPolarHBondContact CD2-ND2 3.43Å; Y239-N277 HydrophobicContact CE1-CB 4.28Å; Y239-N277 VanDerWaalsContact CE1-CG 3.46Å; Y239-N277 WeakPolarHBondContact CE1-OD1 3.38Å; Y239-N277 WeakPolarHBondContact CE2-ND2 3.37Å; Y239-N277 HydrophobicContact CG-CB 4.43Å; Y239-N277 VanDerWaalsContact CZ-CG 3.45Å; Y239-N277 PolarHBondContact OH-OD1 3.26Å; F241-N277 HydrophobicContact CE1-CB 4.13Å; F241-N277 WeakPolarHBondContact CE1-O 3.45Å; N273-N277 CarbonylContact O-C 3.49Å; N273-N277 VanDerWaalsContact O-CA 3.27Å; N273-N277 WeakPolarHBondContact O-CA 3.3Å; N273-N277 PolarHBondContact O-N 2.93Å; N273-N277 VanDerWaalsContact O-N 3.1Å; V274-N277 PolarHBondContact O-N 3.26Å; V274-N277 PolarHBondContact O-ND2 3.47Å; D275-N277 VanDerWaalsContact C-N 3.25Å; D275-N277 PolarHBondContact O-N 3.01Å |
| 278 | A | 92.7 | Very high | 94.6 | Very high | 32 Ų | 32 | 47.9 Ų | 47.9 | 26% | 0.264 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 142.8 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | W272 N273 E276 | W272-A278 CarbonylContact C-O 3.44Å; W272-A278 VanDerWaalsContact CA-O 3.31Å; W272-A278 WeakPolarHBondContact CA-O 3.11Å; N273-A278 HydrophobicContact CB-CB 4.48Å; N273-A278 PolarHBondContact N-O 2.81Å; N273-A278 PolarHBondContact O-N 3.15Å; E276-A278 HydrophobicContact CB-CB 4.01Å; E276-A278 PolarHBondContact O-N 2.75Å |
| 279 | Y | 95.1 | Very high | 94.6 | Very high | 116 Ų | 116 | 49.9 Ų | 49.9 | 46% | 0.455 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 133.5 | 160.1 | 161.9 | -93.2 | 0 | 0 | 0 | 109 | K270 W272 E281 T282 | K270-Y279 HydrophobicContact CD-CE2 4.42Å; K270-Y279 HydrophobicContact CG-CE2 4.38Å; W272-Y279 HydrophobicContact CE3-CD2 4.27Å; W272-Y279 HydrophobicContact CH2-CD2 4.29Å; W272-Y279 HydrophobicContact CZ3-CD2 4.12Å; W272-Y279 HydrophobicContact CZ3-CG 4.36Å; Y279-E281 VanDerWaalsContact CE2-O 3.28Å; Y279-E281 WeakPolarHBondContact CE2-O 3.34Å; Y279-E281 WeakPolarHBondContact OH-CA 3.45Å; Y279-T282 VanDerWaalsContact CE2-OG1 3.28Å; Y279-T282 WeakPolarHBondContact CE2-OG1 3.43Å; Y279-T282 WeakPolarHBondContact OH-CB 3.42Å; Y279-T282 PolarHBondContact OH-N 2.73Å; Y279-T282 PolarHBondContact OH-OG1 3.01Å |
| 280 | V | 94.4 | Very high | 94.5 | Very high | 66 Ų | 66 | 49.9 Ų | 49.9 | 40% | 0.4 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | -71.2 | -179.3 | -173.5 | 0 | 0 | 0 | 0 | 110 | V271 N273 | V271-V280 HydrophobicContact CB-CB 4.22Å; V271-V280 HydrophobicContact CG1-CB 4.02Å; V271-V280 HydrophobicContact CG1-CG1 4.44Å; V271-V280 HydrophobicContact CG1-CG2 4.35Å; V271-V280 PolarHBondContact O-N 2.88Å; N273-V280 HydrophobicContact CB-CG2 4.11Å |
| 281 | E | 94.6 | Very high | 94.4 | Very high | 57 Ų | 57 | 49 Ų | 49 | 27% | 0.266 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 159.2 | -166.6 | -85 | 162.6 | -153.7 | 0 | 0 | 113 | K270 V271 Y279 I316 | K270-E281 WeakPolarHBondContact CA-O 3.15Å; V271-E281 HydrophobicContact CB-CB 4.24Å; V271-E281 HydrophobicContact CG2-CB 4.31Å; V271-E281 PolarHBondContact N-O 2.97Å; V271-E281 PolarHBondContact O-N 3.38Å; Y279-E281 VanDerWaalsContact CE2-O 3.28Å; Y279-E281 WeakPolarHBondContact CE2-O 3.34Å; Y279-E281 WeakPolarHBondContact OH-CA 3.45Å; E281-I316 WeakPolarHBondContact OE2-CG2 3.26Å |
| 282 | T | 95.7 | Very high | 94.2 | Very high | 30 Ų | 30 | 49.1 Ų | 49.1 | 18% | 0.184 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 117.8 | 171.9 | -54.4 | 0 | 0 | 0 | 0 | 110 | V269 K270 Y279 F284 | V269-T282 CarbonylContact O-C 3.56Å; V269-T282 WeakPolarHBondContact O-CA 3.31Å; K270-T282 HydrophobicContact CG-CG2 3.92Å; K270-T282 PolarHBondContact NZ-OG1 3.01Å; Y279-T282 VanDerWaalsContact CE2-OG1 3.28Å; Y279-T282 WeakPolarHBondContact CE2-OG1 3.43Å; Y279-T282 WeakPolarHBondContact OH-CB 3.42Å; Y279-T282 PolarHBondContact OH-N 2.73Å; Y279-T282 PolarHBondContact OH-OG1 3.01Å; T282-F284 HydrophobicContact CG2-CD2 4.1Å; T282-F284 HydrophobicContact CG2-CE1 4.12Å; T282-F284 HydrophobicContact CG2-CE2 3.46Å; T282-F284 VanDerWaalsContact CG2-CE2 3.46Å; T282-F284 HydrophobicContact CG2-CZ 3.48Å; T282-F284 VanDerWaalsContact CG2-CZ 3.48Å |
| 283 | L | 95.9 | Very high | 94.1 | Very high | 8 Ų | 8 | 49.4 Ų | 49.4 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 139.8 | 176.5 | -53.7 | 174 | 0 | 0 | 0 | 110 | S268 V269 W314 I316 E319 | S268-L283 WeakPolarHBondContact CA-O 3.22Å; V269-L283 HydrophobicContact CB-CB 4.35Å; V269-L283 PolarHBondContact N-O 2.84Å; V269-L283 PolarHBondContact O-N 2.91Å; L283-W314 HydrophobicContact CB-CD2 4.3Å; L283-W314 HydrophobicContact CB-CE3 3.77Å; L283-W314 HydrophobicContact CB-CH2 4.36Å; L283-W314 HydrophobicContact CB-CZ3 3.79Å; L283-W314 HydrophobicContact CD1-CB 3.99Å; L283-W314 HydrophobicContact CD1-CD2 4.03Å; L283-W314 HydrophobicContact CD1-CE3 3.8Å; L283-W314 HydrophobicContact CD1-CG 4.12Å; L283-W314 HydrophobicContact CG-CE3 4.3Å; L283-I316 HydrophobicContact CD1-CG1 4.16Å; L283-E319 HydrophobicContact CD2-CB 4.44Å |
| 284 | F | 95.3 | Very high | 94.2 | Very high | 143 Ų | 143 | 48.4 Ų | 48.4 | 63% | 0.627 | 25% | 0.248 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 144.8 | -179.1 | -67.1 | -82.5 | 0 | 0 | 0 | 111.1 | T282 W314 | T282-F284 HydrophobicContact CG2-CD2 4.1Å; T282-F284 HydrophobicContact CG2-CE1 4.12Å; T282-F284 HydrophobicContact CG2-CE2 3.46Å; T282-F284 VanDerWaalsContact CG2-CE2 3.46Å; T282-F284 HydrophobicContact CG2-CZ 3.48Å; T282-F284 VanDerWaalsContact CG2-CZ 3.48Å; F284-W314 WeakPolarHBondContact O-CH2 3.41Å |
| 285 | G | 93.1 | Very high | 94.2 | Very high | 20 Ų | 20 | 48.4 Ų | 48.4 | 21% | 0.206 | 25% | 0.248 | C | C | . | . | trans | 166.1 | -22.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q287 R312 | G285-Q287 PolarHBondContact O-NE2 3.32Å; G285-R312 VanDerWaalsContact O-CZ 3.27Å; G285-R312 PolarHBondContact O-NH2 3.24Å | ||
| 286 | H | 95.2 | Very high | 94.2 | Very high | 8 Ų | 8 | 45 Ų | 45 | 4% | 0.037 | 23% | 0.23 | C | C | . | . | trans | -62.6 | 142 | 173.1 | -87.5 | -77.6 | 0 | 0 | 0 | 112.5 | R267 I290 T303 G305 D308 R312 W314 | R267-H286 HydrophobicContact CB-CB 4.18Å; H286-I290 HydrophobicContact CB-CD1 4.46Å; H286-I290 HydrophobicContact CB-CG1 4.05Å; H286-T303 PolarHBondContact NE2-OG1 3.39Å; H286-T303 VanDerWaalsContact NE2-OG1 3.17Å; H286-G305 WeakPolarHBondContact CE1-CA 3.14Å; H286-G305 PolarHBondContact CE1-N 3.14Å; H286-G305 VanDerWaalsContact ND1-CA 3.28Å; H286-G305 WeakPolarHBondContact ND1-CA 3.46Å; H286-D308 IonicContact CG-OD2 3.26Å; H286-D308 IonicContact ND1-OD1 3.15Å; H286-D308 IonicContact ND1-OD2 3.63Å; H286-D308 PolarHBondContact ND1-OD2 2.83Å; H286-D308 VanDerWaalsContact ND1-OD2 3.14Å; H286-R312 PolarHBondContact CE1-NH1 2.79Å; H286-R312 VanDerWaalsContact CE1-NH1 3.31Å; H286-R312 PolarHBondContact ND1-NH1 3.09Å; H286-W314 AromaticContact CD2-CZ2 3.98Å | ||
| 287 | Q | 93.9 | Very high | 94.1 | Very high | 129 Ų | 129 | 40 Ų | 40 | 60% | 0.603 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -94.4 | -39.4 | -176.5 | -59.1 | -58 | -64.3 | 0 | 0 | 111.7 | R267 G285 D308 | R267-Q287 WeakPolarHBondContact CD-O 3.33Å; R267-Q287 PolarHBondContact NH1-O 3.32Å; G285-Q287 PolarHBondContact O-NE2 3.32Å; Q287-D308 HydrophobicContact CB-CB 4.03Å; Q287-D308 PolarHBondContact N-OD2 2.81Å; Q287-D308 VanDerWaalsContact N-OD2 3.17Å |
| 288 | D | 94.6 | Very high | 94 | Very high | 47 Ų | 47 | 40.9 Ų | 40.9 | 25% | 0.251 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -112.4 | -179.9 | 166.6 | -157.8 | -2.1 | 0 | 0 | 0 | 110.2 | R267 R307 D308 | R267-D288 WeakPolarHBondContact CG-O 3.3Å; D288-R307 WeakPolarHBondContact OD2-CB 3.44Å; D288-R307 WeakPolarHBondContact OD2-CD 3.15Å; D288-R307 IonicContact OD2-NH1 3.1Å; D288-D308 HydrophobicContact CB-CB 4.39Å |
| 289 | L | 94.6 | Very high | 94 | Very high | 45 Ų | 45 | 43.5 Ų | 43.5 | 24% | 0.236 | 22% | 0.217 | C | C | . | . | trans | -54.1 | 143.5 | 178.7 | 63.4 | 95.4 | 0 | 0 | 0 | 113.4 | H265 T291 G305 | H265-L289 HydrophobicContact CB-CB 4.02Å; L289-T291 HydrophobicContact CD1-CG2 3.67Å; L289-G305 CarbonylContact O-C 3.49Å | ||
| 290 | I | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -82.8 | 132.6 | 174 | -49 | 175.5 | 0 | 0 | 0 | 108.1 | S249 A263 V269 H286 T303 A304 | S249-I290 WeakPolarHBondContact CB-O 3.37Å; S249-I290 PolarHBondContact OG-O 3.14Å; A263-I290 HydrophobicContact CB-CB 4.03Å; A263-I290 HydrophobicContact CB-CD1 4.12Å; A263-I290 HydrophobicContact CB-CG2 3.64Å; V269-I290 HydrophobicContact CG2-CD1 3.62Å; H286-I290 HydrophobicContact CB-CD1 4.46Å; H286-I290 HydrophobicContact CB-CG1 4.05Å; I290-T303 HydrophobicContact CG2-CG2 3.98Å; I290-A304 WeakPolarHBondContact CA-O 3.48Å; I290-A304 VanDerWaalsContact CG2-O 3.3Å; I290-A304 WeakPolarHBondContact CG2-O 3.46Å | ||
| 291 | T | 93.9 | Very high | 93.8 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 3% | 0.025 | 19% | 0.19 | C | C | . | . | trans | -103.2 | -22.9 | -173.5 | 53.9 | 0 | 0 | 0 | 0 | 113.8 | L289 A304 G306 I331 R449 | L289-T291 HydrophobicContact CD1-CG2 3.67Å; T291-A304 PolarHBondContact N-O 3.37Å; T291-A304 WeakPolarHBondContact OG1-CB 3.48Å; T291-A304 PolarHBondContact OG1-O 2.74Å; T291-A304 VanDerWaalsContact OG1-O 3.11Å; T291-G306 VanDerWaalsContact CG2-CA 3.45Å; T291-I331 PolarHBondContact OG1-O 3.04Å; T291-R449 PolarHBondContact O-NH2 3.48Å | ||
| 292 | G | 92.2 | Very high | 93.9 | Very high | 9 Ų | 9 | 35.9 Ų | 35.9 | 9% | 0.093 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 153.6 | 180 | 0 | 0 | 0 | 0 | 0 | 111.8 | T303 A304 | G292-T303 WeakPolarHBondContact O-CA 3.21Å; G292-A304 PolarHBondContact O-N 2.95Å |
| 293 | L | 96 | Very high | 93.9 | Very high | 14 Ų | 14 | 34.4 Ų | 34.4 | 7% | 0.073 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 145.5 | 179.8 | 174.4 | 149 | 0 | 0 | 0 | 109.3 | A263 V269 C301 V302 T303 | A263-L293 HydrophobicContact CB-CB 3.77Å; A263-L293 HydrophobicContact CB-CD1 3.76Å; A263-L293 HydrophobicContact CB-CG 4.4Å; V269-L293 HydrophobicContact CG1-CD1 3.87Å; L293-C301 HydrophobicContact CD1-CB 4.49Å; L293-V302 CarbonylContact C-O 3.52Å; L293-V302 VanDerWaalsContact CA-O 3.25Å; L293-V302 WeakPolarHBondContact CA-O 3.4Å; L293-T303 HydrophobicContact CB-CG2 4.01Å; L293-T303 HydrophobicContact CD1-CG2 3.77Å; L293-T303 HydrophobicContact CG-CG2 4.01Å |
| 294 | D | 96.1 | Very high | 93.8 | Very high | 7 Ų | 7 | 34 Ų | 34 | 4% | 0.037 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 162.2 | 172.9 | -165.5 | 33.8 | 0 | 0 | 0 | 113.2 | S252 C301 V302 Q335 L336 | S252-D294 PolarHBondContact OG-OD1 3.44Å; D294-C301 CarbonylContact O-C 3.58Å; D294-C301 WeakPolarHBondContact O-CA 3.21Å; D294-V302 PolarHBondContact N-O 2.94Å; D294-V302 PolarHBondContact O-N 2.86Å; D294-Q335 WeakPolarHBondContact OD2-CA 3.48Å; D294-Q335 WeakPolarHBondContact OD2-CG 3.43Å; D294-L336 PolarHBondContact OD2-N 3.01Å |
| 295 | S | 94.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 154.8 | -178.4 | 47.3 | 0 | 0 | 0 | 0 | 114.1 | S252 F253 | S252-S295 WeakPolarHBondContact CB-OG 3.46Å; S252-S295 PolarHBondContact OG-OG 1.85Å; F253-S295 PolarHBondContact O-OG 3.1Å |
| 296 | L | 91.8 | Very high | 93.3 | Very high | 13 Ų | 13 | 26.3 Ų | 26.3 | 7% | 0.068 | 13% | 0.128 | C | C | . | . | trans | -118.1 | -142.3 | 175.6 | -69.1 | 178.3 | 0 | 0 | 0 | 110.7 | R254 K255 L336 E339 | R254-L296 CarbonylContact C-O 3.53Å; R254-L296 WeakPolarHBondContact CA-O 3.45Å; R254-L296 WeakPolarHBondContact CG-O 3.03Å; K255-L296 PolarHBondContact N-O 2.93Å; L296-L336 HydrophobicContact CB-CD1 4.43Å; L296-L336 HydrophobicContact CD1-CB 3.71Å; L296-L336 HydrophobicContact CD1-CD1 4.25Å; L296-L336 HydrophobicContact CD1-CD2 4.39Å; L296-L336 HydrophobicContact CD1-CG 4.35Å; L296-L336 HydrophobicContact CD2-CB 4.4Å; L296-L336 HydrophobicContact CG-CB 3.8Å; L296-L336 HydrophobicContact CG-CD1 3.84Å; L296-L336 HydrophobicContact CG-CG 4.36Å; L296-E339 HydrophobicContact CB-CG 4.42Å; L296-E339 WeakPolarHBondContact CB-OE1 3.38Å; L296-E339 HydrophobicContact CD1-CG 4.23Å | ||
| 297 | S | 89.3 | Confident | 93.2 | Very high | 41 Ų | 41 | 35.3 Ų | 35.3 | 29% | 0.287 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -90 | -23.7 | -169.9 | 60.9 | 0 | 0 | 0 | 0 | 114 | R254 K255 E339 | R254-S297 PolarHBondContact NE-O 3.37Å; K255-S297 WeakPolarHBondContact O-CA 3.5Å; S297-E339 PolarHBondContact N-OE1 3.29Å; S297-E339 PolarHBondContact OG-OE1 3.06Å |
| 298 | R | 90.3 | Very high | 93 | Very high | 70 Ų | 70 | 30.6 Ų | 30.6 | 26% | 0.264 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -77.7 | 161.9 | 173.2 | -59.4 | -179.2 | -160.2 | 158.2 | 4 | 111.2 | K124 R300 E339 | K124-R298 PolarHBondContact O-NH2 2.85Å; R298-R300 HydrophobicContact CB-CG 4.41Å; R298-R300 PolarHBondContact O-N 3.49Å; R298-E339 WeakPolarHBondContact CB-OE2 3.25Å; R298-E339 WeakPolarHBondContact CD-OE2 3.49Å; R298-E339 VanDerWaalsContact CG-CD 3.46Å; R298-E339 HydrophobicContact CG-CG 4.32Å; R298-E339 WeakPolarHBondContact CG-OE1 3.39Å; R298-E339 WeakPolarHBondContact CG-OE2 3.35Å; R298-E339 IonicContact CZ-OE2 3.91Å; R298-E339 PolarHBondContact N-OE1 3.08Å; R298-E339 IonicContact NE-OE2 2.81Å; R298-E339 IonicContact NH1-OE2 3.14Å |
| 299 | E | 91.1 | Very high | 92.9 | Very high | 86 Ų | 86 | 29 Ų | 29 | 40% | 0.402 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -73.9 | 59.8 | 173.8 | -77.2 | 146.5 | -148.1 | 0 | 0 | 111.8 | R254 I316 | R254-E299 IonicContact CZ-OE1 3.5Å; R254-E299 VanDerWaalsContact NH1-CG 3.34Å; R254-E299 IonicContact NH1-OE1 3.87Å; R254-E299 PolarHBondContact NH1-OE1 2.79Å; R254-E299 IonicContact NH2-OE1 2.65Å; R254-E299 PolarHBondContact NH2-OE1 2.8Å; E299-I316 HydrophobicContact CB-CB 4.49Å; E299-I316 PolarHBondContact O-N 3.39Å |
| 300 | R | 93 | Very high | 92.8 | Very high | 77 Ų | 77 | 27 Ų | 27 | 29% | 0.291 | 13% | 0.125 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 133.9 | -179.2 | -62.7 | -178.4 | -179.1 | 179.4 | -0.5 | 109.1 | R298 W314 | R298-R300 HydrophobicContact CB-CG 4.41Å; R298-R300 PolarHBondContact O-N 3.49Å; R300-W314 VanDerWaalsContact CA-O 3.23Å; R300-W314 WeakPolarHBondContact CA-O 3.31Å; R300-W314 WeakPolarHBondContact CB-O 3.29Å |
| 301 | C | 94 | Very high | 92.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 152.3 | 167.3 | 61.7 | 0 | 0 | 0 | 0 | 109.9 | Y261 L293 D294 W314 | Y261-C301 HydrophobicContact CD2-CB 3.72Å; Y261-C301 HydrophobicContact CE2-CB 4.35Å; Y261-C301 HydrophobicContact CG-CB 4.2Å; L293-C301 HydrophobicContact CD1-CB 4.49Å; D294-C301 CarbonylContact O-C 3.58Å; D294-C301 WeakPolarHBondContact O-CA 3.21Å; C301-W314 PolarHBondContact O-N 2.85Å |
| 302 | V | 95.8 | Very high | 92.9 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.012 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 141.2 | 177 | -179.9 | 0 | 0 | 0 | 0 | 108.8 | L293 D294 V311 R312 V313 V334 L336 M342 | L293-V302 CarbonylContact C-O 3.52Å; L293-V302 VanDerWaalsContact CA-O 3.25Å; L293-V302 WeakPolarHBondContact CA-O 3.4Å; D294-V302 PolarHBondContact N-O 2.94Å; D294-V302 PolarHBondContact O-N 2.86Å; V302-V311 HydrophobicContact CG1-CG1 3.61Å; V302-R312 CarbonylContact C-O 3.57Å; V302-R312 WeakPolarHBondContact CA-O 3.41Å; V302-V313 HydrophobicContact CG2-CB 4.41Å; V302-V313 HydrophobicContact CG2-CG1 4.21Å; V302-V313 HydrophobicContact CG2-CG2 3.94Å; V302-V334 HydrophobicContact CG1-CG2 3.59Å; V302-L336 HydrophobicContact CB-CD1 4.43Å; V302-L336 HydrophobicContact CB-CG 4.41Å; V302-L336 HydrophobicContact CG2-CD1 3.95Å; V302-L336 HydrophobicContact CG2-CD2 3.77Å; V302-L336 HydrophobicContact CG2-CG 3.94Å; V302-M342 HydrophobicContact CB-SD 4.49Å; V302-M342 HydrophobicContact CG1-SD 3.48Å; V302-M342 WeakPolarHBondContact CG1-SD 3.42Å; V302-M342 HydrophobicContact CG2-SD 4.16Å |
| 303 | T | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 140.1 | -173.6 | 40.7 | 0 | 0 | 0 | 0 | 111.4 | V269 H286 I290 G292 L293 V311 R312 W314 | V269-T303 HydrophobicContact CG2-CG2 3.87Å; H286-T303 PolarHBondContact NE2-OG1 3.39Å; H286-T303 VanDerWaalsContact NE2-OG1 3.17Å; I290-T303 HydrophobicContact CG2-CG2 3.98Å; G292-T303 WeakPolarHBondContact O-CA 3.21Å; L293-T303 HydrophobicContact CB-CG2 4.01Å; L293-T303 HydrophobicContact CD1-CG2 3.77Å; L293-T303 HydrophobicContact CG-CG2 4.01Å; T303-V311 WeakPolarHBondContact O-CA 3.17Å; T303-V311 WeakPolarHBondContact O-CG1 3.25Å; T303-R312 PolarHBondContact N-O 2.88Å; T303-R312 PolarHBondContact O-N 2.77Å; T303-R312 PolarHBondContact OG1-O 3.03Å; T303-R312 VanDerWaalsContact OG1-O 3.08Å; T303-W314 PolarHBondContact OG1-NE1 2.94Å |
| 304 | A | 94 | Very high | 93.1 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 126.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | I290 T291 G292 G306 I331 V334 | I290-A304 WeakPolarHBondContact CA-O 3.48Å; I290-A304 VanDerWaalsContact CG2-O 3.3Å; I290-A304 WeakPolarHBondContact CG2-O 3.46Å; T291-A304 PolarHBondContact N-O 3.37Å; T291-A304 WeakPolarHBondContact OG1-CB 3.48Å; T291-A304 PolarHBondContact OG1-O 2.74Å; T291-A304 VanDerWaalsContact OG1-O 3.11Å; G292-A304 PolarHBondContact O-N 2.95Å; A304-G306 PolarHBondContact O-N 2.82Å; A304-I331 HydrophobicContact CB-CB 4.19Å; A304-I331 HydrophobicContact CB-CG2 3.73Å; A304-V334 HydrophobicContact CB-CB 4.13Å; A304-V334 HydrophobicContact CB-CG1 3.9Å |
| 305 | G | 86.6 | Confident | 93 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -92.8 | 19.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | H286 L289 R307 D308 T310 | H286-G305 WeakPolarHBondContact CE1-CA 3.14Å; H286-G305 PolarHBondContact CE1-N 3.14Å; H286-G305 VanDerWaalsContact ND1-CA 3.28Å; H286-G305 WeakPolarHBondContact ND1-CA 3.46Å; L289-G305 CarbonylContact O-C 3.49Å; G305-R307 PolarHBondContact O-N 2.97Å; G305-D308 WeakPolarHBondContact CA-OD1 3.37Å; G305-D308 PolarHBondContact O-N 2.81Å; G305-T310 PolarHBondContact N-O 3.17Å | ||
| 306 | G | 90.9 | Very high | 93 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | B | Isolated β-bridge | trans | 54.1 | -122.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | T291 A304 D308 G309 S330 I331 | T291-G306 VanDerWaalsContact CG2-CA 3.45Å; A304-G306 PolarHBondContact O-N 2.82Å; G306-D308 PolarHBondContact O-N 2.89Å; G306-G309 PolarHBondContact O-N 3Å; G306-S330 VanDerWaalsContact CA-OG 3.29Å; G306-S330 WeakPolarHBondContact CA-OG 3.39Å; G306-S330 WeakPolarHBondContact O-CA 3.22Å; G306-I331 VanDerWaalsContact CA-O 3.26Å; G306-I331 WeakPolarHBondContact CA-O 3.38Å; G306-I331 PolarHBondContact N-O 3.01Å; G306-I331 PolarHBondContact O-N 3.24Å |
| 307 | R | 92.2 | Very high | 93 | Very high | 196 Ų | 196 | 32.6 Ų | 32.6 | 74% | 0.74 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -10.9 | -178.3 | -54.4 | -179.6 | -179 | 147.7 | -9.1 | 115 | D288 G305 G309 S330 | D288-R307 WeakPolarHBondContact OD2-CB 3.44Å; D288-R307 WeakPolarHBondContact OD2-CD 3.15Å; D288-R307 IonicContact OD2-NH1 3.1Å; G305-R307 PolarHBondContact O-N 2.97Å; R307-G309 PolarHBondContact O-N 3.31Å; R307-S330 PolarHBondContact N-OG 2.96Å |
| 308 | D | 91.3 | Very high | 93.2 | Very high | 30 Ų | 30 | 36.1 Ų | 36.1 | 16% | 0.16 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -7.3 | 172 | 89.2 | 2.3 | 0 | 0 | 0 | 112.6 | H286 Q287 D288 G305 G306 T310 R312 | H286-D308 IonicContact CG-OD2 3.26Å; H286-D308 IonicContact ND1-OD1 3.15Å; H286-D308 IonicContact ND1-OD2 3.63Å; H286-D308 PolarHBondContact ND1-OD2 2.83Å; H286-D308 VanDerWaalsContact ND1-OD2 3.14Å; Q287-D308 HydrophobicContact CB-CB 4.03Å; Q287-D308 PolarHBondContact N-OD2 2.81Å; Q287-D308 VanDerWaalsContact N-OD2 3.17Å; D288-D308 HydrophobicContact CB-CB 4.39Å; G305-D308 WeakPolarHBondContact CA-OD1 3.37Å; G305-D308 PolarHBondContact O-N 2.81Å; G306-D308 PolarHBondContact O-N 2.89Å; D308-T310 VanDerWaalsContact CG-OG1 3.29Å; D308-T310 WeakPolarHBondContact O-CG2 3.42Å; D308-T310 PolarHBondContact O-N 3.25Å; D308-T310 VanDerWaalsContact O-N 3.17Å; D308-T310 VanDerWaalsContact OD1-CB 3.29Å; D308-T310 WeakPolarHBondContact OD1-CB 3.48Å; D308-T310 WeakPolarHBondContact OD1-CG2 3.44Å; D308-T310 PolarHBondContact OD1-N 2.98Å; D308-T310 PolarHBondContact OD1-OG1 3.44Å; D308-T310 PolarHBondContact OD2-OG1 2.95Å; D308-R312 IonicContact OD1-NH1 3.9Å; D308-R312 IonicContact OD2-CZ 3.71Å; D308-R312 IonicContact OD2-NH1 3.57Å; D308-R312 PolarHBondContact OD2-NH1 3.36Å; D308-R312 IonicContact OD2-NH2 2.82Å |
| 309 | G | 90.9 | Very high | 93.3 | Very high | 14 Ų | 14 | 39.6 Ų | 39.6 | 14% | 0.144 | 19% | 0.192 | C | C | . | . | trans | 67.2 | 12.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | G306 R307 | G306-G309 PolarHBondContact O-N 3Å; R307-G309 PolarHBondContact O-N 3.31Å | ||
| 310 | T | 93.8 | Very high | 93.4 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 3% | 0.025 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 146 | -177.9 | 74.2 | 0 | 0 | 0 | 0 | 113.5 | G305 D308 R312 V323 F324 H325 | G305-T310 PolarHBondContact N-O 3.17Å; D308-T310 VanDerWaalsContact CG-OG1 3.29Å; D308-T310 WeakPolarHBondContact O-CG2 3.42Å; D308-T310 PolarHBondContact O-N 3.25Å; D308-T310 VanDerWaalsContact O-N 3.17Å; D308-T310 VanDerWaalsContact OD1-CB 3.29Å; D308-T310 WeakPolarHBondContact OD1-CB 3.48Å; D308-T310 WeakPolarHBondContact OD1-CG2 3.44Å; D308-T310 PolarHBondContact OD1-N 2.98Å; D308-T310 PolarHBondContact OD1-OG1 3.44Å; D308-T310 PolarHBondContact OD2-OG1 2.95Å; T310-R312 PolarHBondContact OG1-NH1 3.03Å; T310-V323 HydrophobicContact CG2-CG1 3.84Å; T310-F324 WeakPolarHBondContact CA-O 3.29Å; T310-H325 VanDerWaalsContact CG2-CE1 3.48Å; T310-H325 WeakPolarHBondContact CG2-CE1 3.32Å |
| 311 | V | 95.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 132 | 154 | -161.5 | 0 | 0 | 0 | 0 | 107.1 | V302 T303 F324 I331 V334 M342 T344 W354 | V302-V311 HydrophobicContact CG1-CG1 3.61Å; T303-V311 WeakPolarHBondContact O-CA 3.17Å; T303-V311 WeakPolarHBondContact O-CG1 3.25Å; V311-F324 HydrophobicContact CB-CB 4.26Å; V311-F324 PolarHBondContact N-O 2.96Å; V311-F324 VanDerWaalsContact N-O 3.11Å; V311-F324 WeakPolarHBondContact O-CD2 3.42Å; V311-F324 PolarHBondContact O-N 3.11Å; V311-I331 HydrophobicContact CG2-CD1 3.85Å; V311-V334 HydrophobicContact CG1-CG2 4.35Å; V311-M342 HydrophobicContact CB-CE 3.91Å; V311-M342 HydrophobicContact CG1-CE 3.6Å; V311-M342 HydrophobicContact CG1-SD 3.79Å; V311-M342 HydrophobicContact CG2-CE 4.48Å; V311-T344 HydrophobicContact CG1-CG2 4.42Å; V311-T344 HydrophobicContact CG2-CG2 3.78Å; V311-W354 HydrophobicContact CG2-CZ2 4.19Å |
| 312 | R | 95.5 | Very high | 93.5 | Very high | 15 Ų | 15 | 40.1 Ų | 40.1 | 6% | 0.057 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 128.1 | 172.7 | -73 | -173.6 | 172.3 | 76.3 | 3.9 | 110.4 | G285 H286 V302 T303 D308 T310 W314 L322 V323 | G285-R312 VanDerWaalsContact O-CZ 3.27Å; G285-R312 PolarHBondContact O-NH2 3.24Å; H286-R312 PolarHBondContact CE1-NH1 2.79Å; H286-R312 VanDerWaalsContact CE1-NH1 3.31Å; H286-R312 PolarHBondContact ND1-NH1 3.09Å; V302-R312 CarbonylContact C-O 3.57Å; V302-R312 WeakPolarHBondContact CA-O 3.41Å; T303-R312 PolarHBondContact N-O 2.88Å; T303-R312 PolarHBondContact O-N 2.77Å; T303-R312 PolarHBondContact OG1-O 3.03Å; T303-R312 VanDerWaalsContact OG1-O 3.08Å; D308-R312 IonicContact OD1-NH1 3.9Å; D308-R312 IonicContact OD2-CZ 3.71Å; D308-R312 IonicContact OD2-NH1 3.57Å; D308-R312 PolarHBondContact OD2-NH1 3.36Å; D308-R312 IonicContact OD2-NH2 2.82Å; T310-R312 PolarHBondContact OG1-NH1 3.03Å; R312-W314 HydrophobicContact CB-CZ2 4.3Å; R312-L322 WeakPolarHBondContact CA-O 3.41Å; R312-V323 HydrophobicContact CG-CG1 4.47Å; R312-V323 HydrophobicContact CG-CG2 4.3Å |
| 313 | V | 96.1 | Very high | 93.5 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.03 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 112.8 | 168.9 | -177.3 | 0 | 0 | 0 | 0 | 107.1 | V302 L322 F324 M342 | V302-V313 HydrophobicContact CG2-CB 4.41Å; V302-V313 HydrophobicContact CG2-CG1 4.21Å; V302-V313 HydrophobicContact CG2-CG2 3.94Å; V313-L322 HydrophobicContact CB-CB 4.34Å; V313-L322 PolarHBondContact N-O 2.99Å; V313-L322 PolarHBondContact O-N 3.49Å; V313-F324 HydrophobicContact CB-CE2 4.03Å; V313-F324 HydrophobicContact CG2-CD2 4.07Å; V313-F324 HydrophobicContact CG2-CE2 3.44Å; V313-F324 VanDerWaalsContact CG2-CE2 3.44Å; V313-F324 HydrophobicContact CG2-CZ 4.18Å; V313-M342 HydrophobicContact CG2-CE 4.08Å; V313-M342 HydrophobicContact CG2-SD 3.78Å |
| 314 | W | 96.1 | Very high | 93.4 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 1% | 0.011 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 145 | 177.5 | -57.7 | 91.3 | 0 | 0 | 0 | 110.3 | V269 L283 F284 H286 R300 C301 T303 R312 Q321 | V269-W314 HydrophobicContact CG2-CZ2 4.45Å; L283-W314 HydrophobicContact CB-CD2 4.3Å; L283-W314 HydrophobicContact CB-CE3 3.77Å; L283-W314 HydrophobicContact CB-CH2 4.36Å; L283-W314 HydrophobicContact CB-CZ3 3.79Å; L283-W314 HydrophobicContact CD1-CB 3.99Å; L283-W314 HydrophobicContact CD1-CD2 4.03Å; L283-W314 HydrophobicContact CD1-CE3 3.8Å; L283-W314 HydrophobicContact CD1-CG 4.12Å; L283-W314 HydrophobicContact CG-CE3 4.3Å; F284-W314 WeakPolarHBondContact O-CH2 3.41Å; H286-W314 AromaticContact CD2-CZ2 3.98Å; R300-W314 VanDerWaalsContact CA-O 3.23Å; R300-W314 WeakPolarHBondContact CA-O 3.31Å; R300-W314 WeakPolarHBondContact CB-O 3.29Å; C301-W314 PolarHBondContact O-N 2.85Å; T303-W314 PolarHBondContact OG1-NE1 2.94Å; R312-W314 HydrophobicContact CB-CZ2 4.3Å; W314-Q321 HydrophobicContact CD2-CB 4.34Å; W314-Q321 HydrophobicContact CE3-CB 3.74Å; W314-Q321 HydrophobicContact CH2-CB 4.3Å; W314-Q321 HydrophobicContact CZ3-CB 3.73Å; W314-Q321 HydrophobicContact CZ3-CG 4.33Å |
| 315 | K | 95.1 | Very high | 93.2 | Very high | 47 Ų | 47 | 47.9 Ų | 47.9 | 20% | 0.204 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 107.5 | 164.7 | -57 | -173.2 | -159.6 | 167.8 | 0 | 107.3 | E318 E319 S320 | K315-E318 HydrophobicContact CB-CB 4.08Å; K315-E318 HydrophobicContact CB-CG 4.41Å; K315-E318 HydrophobicContact CD-CB 4.45Å; K315-E318 HydrophobicContact CD-CG 4.2Å; K315-E318 WeakPolarHBondContact CD-OE1 3.14Å; K315-E318 VanDerWaalsContact CD-OE2 3.29Å; K315-E318 WeakPolarHBondContact CD-OE2 3.26Å; K315-E318 WeakPolarHBondContact CE-OE1 3.48Å; K315-E318 IonicContact NZ-OE1 3.79Å; K315-E318 PolarHBondContact NZ-OE1 2.72Å; K315-E318 IonicContact NZ-OE2 3.91Å; K315-E318 PolarHBondContact NZ-OE2 2.74Å; K315-E318 PolarHBondContact O-N 3.18Å; K315-E319 PolarHBondContact O-N 3.32Å; K315-S320 PolarHBondContact N-O 2.62Å; K315-S320 PolarHBondContact O-N 2.81Å; K315-S320 VanDerWaalsContact O-N 3.15Å |
| 316 | I | 93.3 | Very high | 92.7 | Very high | 11 Ų | 11 | 49.8 Ų | 49.8 | 6% | 0.056 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -70.4 | -53.2 | -163.6 | -63.6 | 166.4 | 0 | 0 | 0 | 110 | Y261 V271 E281 L283 E299 E318 E319 | Y261-I316 HydrophobicContact CD1-CD1 3.82Å; Y261-I316 HydrophobicContact CD2-CD1 4.32Å; Y261-I316 HydrophobicContact CE1-CD1 3.28Å; Y261-I316 HydrophobicContact CE2-CD1 3.82Å; Y261-I316 HydrophobicContact CG-CD1 4.32Å; V271-I316 HydrophobicContact CG2-CD1 4.27Å; V271-I316 HydrophobicContact CG2-CG2 3.95Å; E281-I316 WeakPolarHBondContact OE2-CG2 3.26Å; L283-I316 HydrophobicContact CD1-CG1 4.16Å; E299-I316 HydrophobicContact CB-CB 4.49Å; E299-I316 PolarHBondContact O-N 3.39Å; I316-E318 PolarHBondContact O-N 3.27Å; I316-E319 PolarHBondContact O-N 3.5Å |
| 317 | A | 91.6 | Very high | 92.3 | Very high | 82 Ų | 82 | 50.7 Ų | 50.7 | 68% | 0.678 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -65.4 | 0.8 | 176 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 318 | E | 93 | Very high | 91.9 | Very high | 116 Ų | 116 | 48.5 Ų | 48.5 | 54% | 0.542 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -113.1 | -1.7 | 169.8 | -70 | -175.8 | -145.9 | 0 | 0 | 112.7 | K315 I316 S320 | K315-E318 HydrophobicContact CB-CB 4.08Å; K315-E318 HydrophobicContact CB-CG 4.41Å; K315-E318 HydrophobicContact CD-CB 4.45Å; K315-E318 HydrophobicContact CD-CG 4.2Å; K315-E318 WeakPolarHBondContact CD-OE1 3.14Å; K315-E318 VanDerWaalsContact CD-OE2 3.29Å; K315-E318 WeakPolarHBondContact CD-OE2 3.26Å; K315-E318 WeakPolarHBondContact CE-OE1 3.48Å; K315-E318 IonicContact NZ-OE1 3.79Å; K315-E318 PolarHBondContact NZ-OE1 2.72Å; K315-E318 IonicContact NZ-OE2 3.91Å; K315-E318 PolarHBondContact NZ-OE2 2.74Å; K315-E318 PolarHBondContact O-N 3.18Å; I316-E318 PolarHBondContact O-N 3.27Å; E318-S320 WeakPolarHBondContact CB-OG 3.3Å; E318-S320 PolarHBondContact O-N 3.21Å; E318-S320 PolarHBondContact OE2-OG 3.48Å |
| 319 | E | 92.4 | Very high | 91.7 | Very high | 142 Ų | 142 | 48 Ų | 48 | 66% | 0.664 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 21.3 | -164 | -61.1 | -170.8 | 145.4 | 0 | 0 | 114.1 | L283 K315 I316 | L283-E319 HydrophobicContact CD2-CB 4.44Å; K315-E319 PolarHBondContact O-N 3.32Å; I316-E319 PolarHBondContact O-N 3.5Å |
| 320 | S | 94.1 | Very high | 91.8 | Very high | 34 Ų | 34 | 48 Ų | 48 | 24% | 0.238 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 154.3 | -164.6 | 83.6 | 0 | 0 | 0 | 0 | 113.2 | K315 E318 | K315-S320 PolarHBondContact N-O 2.62Å; K315-S320 PolarHBondContact O-N 2.81Å; K315-S320 VanDerWaalsContact O-N 3.15Å; E318-S320 WeakPolarHBondContact CB-OG 3.3Å; E318-S320 PolarHBondContact O-N 3.21Å; E318-S320 PolarHBondContact OE2-OG 3.48Å |
| 321 | Q | 94.8 | Very high | 91.8 | Very high | 74 Ų | 74 | 47.8 Ų | 47.8 | 35% | 0.346 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 138.5 | -176.2 | 64.8 | -175.8 | -62 | 0 | 0 | 112.1 | W314 V323 | W314-Q321 HydrophobicContact CD2-CB 4.34Å; W314-Q321 HydrophobicContact CE3-CB 3.74Å; W314-Q321 HydrophobicContact CH2-CB 4.3Å; W314-Q321 HydrophobicContact CZ3-CB 3.73Å; W314-Q321 HydrophobicContact CZ3-CG 4.33Å; Q321-V323 HydrophobicContact CG-CG2 4.32Å |
| 322 | L | 94.9 | Very high | 91.7 | Very high | 66 Ų | 66 | 48.2 Ų | 48.2 | 35% | 0.346 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 124.4 | 165.2 | -60.8 | 175.6 | 0 | 0 | 0 | 108.4 | R312 V313 F324 V356 | R312-L322 WeakPolarHBondContact CA-O 3.41Å; V313-L322 HydrophobicContact CB-CB 4.34Å; V313-L322 PolarHBondContact N-O 2.99Å; V313-L322 PolarHBondContact O-N 3.49Å; L322-F324 HydrophobicContact CB-CE2 3.6Å; L322-F324 HydrophobicContact CB-CZ 4.04Å; L322-F324 WeakPolarHBondContact O-CE2 3.29Å; L322-V356 HydrophobicContact CD1-CG1 3.72Å |
| 323 | V | 94.9 | Very high | 91.5 | Very high | 45 Ų | 45 | 48 Ų | 48 | 27% | 0.273 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 129 | -177.3 | -169.1 | 0 | 0 | 0 | 0 | 110.1 | T310 R312 Q321 | T310-V323 HydrophobicContact CG2-CG1 3.84Å; R312-V323 HydrophobicContact CG-CG1 4.47Å; R312-V323 HydrophobicContact CG-CG2 4.3Å; Q321-V323 HydrophobicContact CG-CG2 4.32Å |
| 324 | F | 94.4 | Very high | 91.5 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 136.7 | -179.6 | -59 | -99.7 | 0 | 0 | 0 | 109.1 | T310 V311 V313 L322 M342 W354 V356 K358 | T310-F324 WeakPolarHBondContact CA-O 3.29Å; V311-F324 HydrophobicContact CB-CB 4.26Å; V311-F324 PolarHBondContact N-O 2.96Å; V311-F324 VanDerWaalsContact N-O 3.11Å; V311-F324 WeakPolarHBondContact O-CD2 3.42Å; V311-F324 PolarHBondContact O-N 3.11Å; V313-F324 HydrophobicContact CB-CE2 4.03Å; V313-F324 HydrophobicContact CG2-CD2 4.07Å; V313-F324 HydrophobicContact CG2-CE2 3.44Å; V313-F324 VanDerWaalsContact CG2-CE2 3.44Å; V313-F324 HydrophobicContact CG2-CZ 4.18Å; L322-F324 HydrophobicContact CB-CE2 3.6Å; L322-F324 HydrophobicContact CB-CZ 4.04Å; L322-F324 WeakPolarHBondContact O-CE2 3.29Å; F324-M342 HydrophobicContact CB-CE 4.5Å; F324-M342 HydrophobicContact CD1-CE 4.32Å; F324-M342 HydrophobicContact CD2-CE 3.97Å; F324-M342 HydrophobicContact CE2-CE 4.33Å; F324-M342 HydrophobicContact CG-CE 4Å; F324-W354 HydrophobicContact CB-CE3 3.91Å; F324-W354 HydrophobicContact CB-CZ3 3.77Å; F324-W354 HydrophobicContact CD1-CE3 4.19Å; F324-W354 HydrophobicContact CG-CE3 4.42Å; F324-V356 HydrophobicContact CZ-CG1 4.37Å; F324-V356 WeakPolarHBondContact CZ-O 3.48Å; F324-K358 WeakPolarHBondContact CD1-O 3.37Å; F324-K358 WeakPolarHBondContact CE1-O 3.21Å |
| 325 | H | 89.8 | Confident | 91.5 | Very high | 116 Ų | 116 | 48.4 Ų | 48.4 | 54% | 0.537 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 142.4 | -179.3 | -66 | -90.7 | 0 | 0 | 0 | 109.4 | T310 K359 | T310-H325 VanDerWaalsContact CG2-CE1 3.48Å; T310-H325 WeakPolarHBondContact CG2-CE1 3.32Å; H325-K359 PolarHBondContact N-O 3.23Å |
| 326 | G | 76.1 | Confident | 91.5 | Very high | 40 Ų | 40 | 46.6 Ų | 46.6 | 41% | 0.412 | 26% | 0.26 | S | S | . | . | trans | 156.7 | 0.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 327 | H | 83.1 | Confident | 91.4 | Very high | 20 Ų | 20 | 46.1 Ų | 46.1 | 9% | 0.093 | 26% | 0.258 | C | S | . | . | trans | -80.5 | 155.2 | 158.9 | -79 | -82.5 | 0 | 0 | 0 | 110.2 | I331 T344 A346 S350 S352 W354 | H327-I331 HydrophobicContact CB-CD1 4.04Å; H327-I331 HydrophobicContact CB-CG1 3.82Å; H327-I331 WeakPolarHBondContact CD2-CD1 3.17Å; H327-I331 VanDerWaalsContact CD2-CG1 3.48Å; H327-I331 WeakPolarHBondContact CD2-CG1 3.47Å; H327-T344 WeakPolarHBondContact NE2-CB 3.33Å; H327-T344 PolarHBondContact NE2-OG1 2.84Å; H327-A346 WeakPolarHBondContact ND1-CB 3.42Å; H327-S350 PolarHBondContact CE1-O 2.79Å; H327-S350 PolarHBondContact CE1-OG 2.95Å; H327-S350 PolarHBondContact ND1-OG 3.44Å; H327-S352 PolarHBondContact CE1-OG 2.92Å; H327-S352 WeakPolarHBondContact NE2-CB 3.44Å; H327-W354 AromaticContact CD2-CZ2 3.67Å; H327-W354 AromaticContact NE2-CZ2 3.93Å; H327-W354 AromaticContact NE2-NE1 3.51Å | ||
| 328 | E | 83.6 | Confident | 91.4 | Very high | 151 Ų | 151 | 42.8 Ų | 42.8 | 71% | 0.706 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -99.1 | -29.3 | 175 | -73.2 | 159.9 | -157 | 0 | 0 | 110.8 | D348 K366 | E328-D348 PolarHBondContact N-OD2 2.99Å; E328-K366 IonicContact OE1-NZ 2.72Å; E328-K366 PolarHBondContact OE1-NZ 3.24Å; E328-K366 IonicContact OE2-NZ 2.7Å; E328-K366 PolarHBondContact OE2-NZ 3.04Å |
| 329 | G | 86.9 | Confident | 91.2 | Very high | 19 Ų | 19 | 37.8 Ų | 37.8 | 20% | 0.196 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -103.8 | -165.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | D347 D348 | G329-D347 VanDerWaalsContact CA-OD1 3.22Å; G329-D347 WeakPolarHBondContact CA-OD1 3.22Å; G329-D348 PolarHBondContact N-OD2 3.11Å |
| 330 | S | 92.5 | Very high | 91 | Very high | 14 Ų | 14 | 33.5 Ų | 33.5 | 10% | 0.098 | 19% | 0.185 | C | C | . | . | trans | -72 | 129.1 | 175.7 | -172 | 0 | 0 | 0 | 0 | 111.5 | G306 R307 D332 A346 D347 | G306-S330 VanDerWaalsContact CA-OG 3.29Å; G306-S330 WeakPolarHBondContact CA-OG 3.39Å; G306-S330 WeakPolarHBondContact O-CA 3.22Å; R307-S330 PolarHBondContact N-OG 2.96Å; S330-D332 PolarHBondContact OG-OD1 2.92Å; S330-A346 CarbonylContact O-C 3.59Å; S330-A346 WeakPolarHBondContact O-CA 3.26Å; S330-A346 WeakPolarHBondContact O-CB 3.35Å; S330-D347 WeakPolarHBondContact CB-OD2 3.37Å; S330-D347 VanDerWaalsContact N-CG 3.35Å; S330-D347 PolarHBondContact N-OD1 2.9Å; S330-D347 PolarHBondContact N-OD2 3.01Å; S330-D347 PolarHBondContact O-N 2.95Å | ||
| 331 | I | 94.8 | Very high | 91 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 107.6 | 175.1 | -46.6 | 175.8 | 0 | 0 | 0 | 108.9 | T291 A304 G306 V311 H327 T344 | T291-I331 PolarHBondContact OG1-O 3.04Å; A304-I331 HydrophobicContact CB-CB 4.19Å; A304-I331 HydrophobicContact CB-CG2 3.73Å; G306-I331 VanDerWaalsContact CA-O 3.26Å; G306-I331 WeakPolarHBondContact CA-O 3.38Å; G306-I331 PolarHBondContact N-O 3.01Å; G306-I331 PolarHBondContact O-N 3.24Å; V311-I331 HydrophobicContact CG2-CD1 3.85Å; H327-I331 HydrophobicContact CB-CD1 4.04Å; H327-I331 HydrophobicContact CB-CG1 3.82Å; H327-I331 WeakPolarHBondContact CD2-CD1 3.17Å; H327-I331 VanDerWaalsContact CD2-CG1 3.48Å; H327-I331 WeakPolarHBondContact CD2-CG1 3.47Å; I331-T344 HydrophobicContact CG2-CG2 4.02Å |
| 332 | D | 92.1 | Very high | 90.9 | Very high | 8 Ų | 8 | 29.9 Ų | 29.9 | 4% | 0.043 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | -11.9 | -170.6 | -61.5 | -39.4 | 0 | 0 | 0 | 114.5 | S330 G345 W382 R449 | S330-D332 PolarHBondContact OG-OD1 2.92Å; D332-G345 PolarHBondContact N-O 2.84Å; D332-G345 VanDerWaalsContact N-O 3.14Å; D332-W382 HydrophobicContact CB-CZ2 4.47Å; D332-W382 WeakPolarHBondContact OD2-CZ2 3.48Å; D332-W382 PolarHBondContact OD2-NE1 3.2Å; D332-R449 PolarHBondContact O-NH2 2.93Å |
| 333 | C | 93 | Very high | 91 | Very high | 11 Ų | 11 | 26.8 Ų | 26.8 | 7% | 0.074 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 147.5 | 173.3 | 60.3 | 0 | 0 | 0 | 0 | 112.7 | T344 G345 | C333-T344 VanDerWaalsContact O-CA 3.3Å; C333-T344 WeakPolarHBondContact O-CA 3.27Å; C333-G345 PolarHBondContact N-O 2.85Å; C333-G345 PolarHBondContact O-N 2.9Å |
| 334 | V | 95.6 | Very high | 91 | Very high | 14 Ų | 14 | 24.6 Ų | 24.6 | 9% | 0.085 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 144.2 | 176.9 | 61.1 | 0 | 0 | 0 | 0 | 109.6 | V302 A304 V311 I343 T344 | V302-V334 HydrophobicContact CG1-CG2 3.59Å; A304-V334 HydrophobicContact CB-CB 4.13Å; A304-V334 HydrophobicContact CB-CG1 3.9Å; V311-V334 HydrophobicContact CG1-CG2 4.35Å; V334-I343 WeakPolarHBondContact CA-O 3.34Å; V334-T344 HydrophobicContact CB-CG2 3.91Å; V334-T344 HydrophobicContact CG2-CG2 3.68Å |
| 335 | Q | 95.8 | Very high | 91.1 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.009 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 146.2 | 165.1 | -153.6 | -176 | -69.1 | 0 | 0 | 110.6 | D294 M342 I343 A388 | D294-Q335 WeakPolarHBondContact OD2-CA 3.48Å; D294-Q335 WeakPolarHBondContact OD2-CG 3.43Å; Q335-M342 WeakPolarHBondContact O-CA 3.49Å; Q335-I343 PolarHBondContact N-O 3.19Å; Q335-I343 WeakPolarHBondContact O-CG2 3.38Å; Q335-I343 PolarHBondContact O-N 3.41Å; Q335-A388 VanDerWaalsContact NE2-N 3.17Å; Q335-A388 PolarHBondContact NE2-O 3.18Å |
| 336 | L | 94.4 | Very high | 91.3 | Very high | 10 Ų | 10 | 18.9 Ų | 18.9 | 5% | 0.052 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 139.8 | 168.7 | -75.5 | 152.8 | 0 | 0 | 0 | 110.2 | D294 L296 V302 N338 M342 A388 | D294-L336 PolarHBondContact OD2-N 3.01Å; L296-L336 HydrophobicContact CB-CD1 4.43Å; L296-L336 HydrophobicContact CD1-CB 3.71Å; L296-L336 HydrophobicContact CD1-CD1 4.25Å; L296-L336 HydrophobicContact CD1-CD2 4.39Å; L296-L336 HydrophobicContact CD1-CG 4.35Å; L296-L336 HydrophobicContact CD2-CB 4.4Å; L296-L336 HydrophobicContact CG-CB 3.8Å; L296-L336 HydrophobicContact CG-CD1 3.84Å; L296-L336 HydrophobicContact CG-CG 4.36Å; V302-L336 HydrophobicContact CB-CD1 4.43Å; V302-L336 HydrophobicContact CB-CG 4.41Å; V302-L336 HydrophobicContact CG2-CD1 3.95Å; V302-L336 HydrophobicContact CG2-CD2 3.77Å; V302-L336 HydrophobicContact CG2-CG 3.94Å; L336-N338 WeakPolarHBondContact CD2-O 3.42Å; L336-M342 HydrophobicContact CD2-CB 4.11Å; L336-A388 WeakPolarHBondContact O-CB 3.44Å |
| 337 | I | 92.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | -47.4 | 167.7 | -54.2 | 162.4 | 0 | 0 | 0 | 108.6 | H341 I343 L353 A388 H390 N391 S392 V395 Y413 | I337-H341 PolarHBondContact N-O 3.23Å; I337-I343 HydrophobicContact CD1-CB 4.25Å; I337-I343 HydrophobicContact CD1-CG2 4.39Å; I337-I343 HydrophobicContact CG1-CB 4.49Å; I337-I343 HydrophobicContact CG1-CG2 4.12Å; I337-L353 HydrophobicContact CD1-CD1 3.42Å; I337-L353 VanDerWaalsContact CD1-CD1 3.42Å; I337-A388 HydrophobicContact CB-CB 4.21Å; I337-A388 HydrophobicContact CG1-CB 3.64Å; I337-H390 WeakPolarHBondContact O-CA 3.23Å; I337-N391 PolarHBondContact O-N 2.93Å; I337-S392 WeakPolarHBondContact CG2-O 3.38Å; I337-V395 HydrophobicContact CD1-CG1 3.92Å; I337-V395 HydrophobicContact CG1-CG1 3.98Å; I337-Y413 HydrophobicContact CD1-CD1 4.06Å; I337-Y413 HydrophobicContact CD1-CE1 4.12Å; I337-Y413 HydrophobicContact CG2-CE1 3.85Å |
| 338 | N | 89.9 | Confident | 92.5 | Very high | 13 Ų | 13 | 20.8 Ų | 20.8 | 7% | 0.07 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | -175.8 | 171.3 | 77 | 1.6 | 0 | 0 | 0 | 110.1 | L336 E340 H341 N391 | L336-N338 WeakPolarHBondContact CD2-O 3.42Å; N338-E340 PolarHBondContact O-N 2.87Å; N338-E340 PolarHBondContact OD1-N 2.92Å; N338-H341 PolarHBondContact N-O 3.5Å; N338-H341 PolarHBondContact O-N 3Å; N338-H341 WeakPolarHBondContact OD1-CB 3.24Å; N338-H341 PolarHBondContact OD1-CD2 2.99Å; N338-H341 PolarHBondContact OD1-N 2.73Å; N338-N391 WeakPolarHBondContact CB-OD1 3.4Å |
| 339 | E | 88.6 | Confident | 92.9 | Very high | 10 Ų | 10 | 13.6 Ų | 13.6 | 5% | 0.047 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -3.7 | -175.8 | -76.2 | -71.9 | 171.4 | 0 | 0 | 115.9 | L296 S297 R298 | L296-E339 HydrophobicContact CB-CG 4.42Å; L296-E339 WeakPolarHBondContact CB-OE1 3.38Å; L296-E339 HydrophobicContact CD1-CG 4.23Å; S297-E339 PolarHBondContact N-OE1 3.29Å; S297-E339 PolarHBondContact OG-OE1 3.06Å; R298-E339 WeakPolarHBondContact CB-OE2 3.25Å; R298-E339 WeakPolarHBondContact CD-OE2 3.49Å; R298-E339 VanDerWaalsContact CG-CD 3.46Å; R298-E339 HydrophobicContact CG-CG 4.32Å; R298-E339 WeakPolarHBondContact CG-OE1 3.39Å; R298-E339 WeakPolarHBondContact CG-OE2 3.35Å; R298-E339 IonicContact CZ-OE2 3.91Å; R298-E339 PolarHBondContact N-OE1 3.08Å; R298-E339 IonicContact NE-OE2 2.81Å; R298-E339 IonicContact NH1-OE2 3.14Å |
| 340 | E | 89.8 | Confident | 93.2 | Very high | 53 Ų | 53 | 12.9 Ų | 12.9 | 25% | 0.248 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.5 | -13.2 | -179.1 | -60.9 | -174.8 | -152.5 | 0 | 0 | 112.7 | K126 N338 G355 V356 | K126-E340 WeakPolarHBondContact CE-OE1 3.41Å; K126-E340 IonicContact NZ-OE1 3.9Å; K126-E340 PolarHBondContact NZ-OE1 2.56Å; K126-E340 VanDerWaalsContact NZ-OE1 3.1Å; N338-E340 PolarHBondContact O-N 2.87Å; N338-E340 PolarHBondContact OD1-N 2.92Å; E340-G355 CarbonylContact O-C 3.58Å; E340-G355 VanDerWaalsContact O-CA 3.26Å; E340-G355 WeakPolarHBondContact O-CA 3.42Å; E340-V356 PolarHBondContact O-N 2.96Å |
| 341 | H | 92.5 | Very high | 93.3 | Very high | 30 Ų | 30 | 12.2 Ų | 12.2 | 14% | 0.139 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 135.7 | -175.2 | -64.1 | -72.9 | 0 | 0 | 0 | 113.8 | I337 N338 W354 L362 Y413 | I337-H341 PolarHBondContact N-O 3.23Å; N338-H341 PolarHBondContact N-O 3.5Å; N338-H341 PolarHBondContact O-N 3Å; N338-H341 WeakPolarHBondContact OD1-CB 3.24Å; N338-H341 PolarHBondContact OD1-CD2 2.99Å; N338-H341 PolarHBondContact OD1-N 2.73Å; H341-W354 WeakPolarHBondContact CA-O 3.44Å; H341-W354 PolarHBondContact ND1-O 3.35Å; H341-W354 VanDerWaalsContact ND1-O 3.13Å; H341-L362 WeakPolarHBondContact ND1-CD1 3.28Å; H341-Y413 HydrophobicContact CB-CD1 4.46Å; H341-Y413 HydrophobicContact CB-CD2 4.36Å; H341-Y413 HydrophobicContact CB-CG 4.23Å; H341-Y413 AromaticContact CD2-CD2 3.22Å; H341-Y413 WeakPolarHBondContact CD2-CD2 3.35Å; H341-Y413 AromaticContact CD2-CE2 3.61Å; H341-Y413 AromaticContact CD2-CG 3.86Å; H341-Y413 AromaticContact CE1-CD2 3.86Å; H341-Y413 AromaticContact CG-CD2 3.62Å; H341-Y413 AromaticContact CG-CG 3.75Å; H341-Y413 AromaticContact ND1-CG 3.95Å; H341-Y413 AromaticContact NE2-CD2 3.4Å; H341-Y413 WeakPolarHBondContact NE2-CD2 3.17Å |
| 342 | M | 94.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 12.2 Ų | 12.2 | 1% | 0.005 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 151.3 | -178.2 | 62.3 | -169.1 | -174.5 | 0 | 0 | 110.4 | V302 V311 V313 F324 Q335 L336 W354 | V302-M342 HydrophobicContact CB-SD 4.49Å; V302-M342 HydrophobicContact CG1-SD 3.48Å; V302-M342 WeakPolarHBondContact CG1-SD 3.42Å; V302-M342 HydrophobicContact CG2-SD 4.16Å; V311-M342 HydrophobicContact CB-CE 3.91Å; V311-M342 HydrophobicContact CG1-CE 3.6Å; V311-M342 HydrophobicContact CG1-SD 3.79Å; V311-M342 HydrophobicContact CG2-CE 4.48Å; V313-M342 HydrophobicContact CG2-CE 4.08Å; V313-M342 HydrophobicContact CG2-SD 3.78Å; F324-M342 HydrophobicContact CB-CE 4.5Å; F324-M342 HydrophobicContact CD1-CE 4.32Å; F324-M342 HydrophobicContact CD2-CE 3.97Å; F324-M342 HydrophobicContact CE2-CE 4.33Å; F324-M342 HydrophobicContact CG-CE 4Å; Q335-M342 WeakPolarHBondContact O-CA 3.49Å; L336-M342 HydrophobicContact CD2-CB 4.11Å; M342-W354 HydrophobicContact CE-CB 3.62Å; M342-W354 HydrophobicContact CE-CD2 4.26Å; M342-W354 HydrophobicContact CE-CG 3.81Å; M342-W354 HydrophobicContact CG-CB 3.69Å; M342-W354 HydrophobicContact CG-CG 4.21Å; M342-W354 PolarHBondContact N-O 3.45Å; M342-W354 PolarHBondContact O-N 3.38Å |
| 343 | I | 95.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 11.8 Ų | 11.8 | 1% | 0.005 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 145.3 | 179.1 | -170.9 | 170 | 0 | 0 | 0 | 110.3 | V334 Q335 I337 V351 S352 V386 A388 V395 L416 | V334-I343 WeakPolarHBondContact CA-O 3.34Å; Q335-I343 PolarHBondContact N-O 3.19Å; Q335-I343 WeakPolarHBondContact O-CG2 3.38Å; Q335-I343 PolarHBondContact O-N 3.41Å; I337-I343 HydrophobicContact CD1-CB 4.25Å; I337-I343 HydrophobicContact CD1-CG2 4.39Å; I337-I343 HydrophobicContact CG1-CB 4.49Å; I337-I343 HydrophobicContact CG1-CG2 4.12Å; I343-V351 HydrophobicContact CD1-CG1 3.67Å; I343-V351 HydrophobicContact CG1-CG1 3.82Å; I343-S352 WeakPolarHBondContact CA-O 3.33Å; I343-V386 HydrophobicContact CB-CG1 4.33Å; I343-V386 HydrophobicContact CD1-CG1 4.12Å; I343-V386 HydrophobicContact CG1-CG1 3.99Å; I343-V386 HydrophobicContact CG2-CG1 3.57Å; I343-A388 HydrophobicContact CG2-CB 4.26Å; I343-V395 HydrophobicContact CD1-CB 3.8Å; I343-V395 HydrophobicContact CD1-CG1 3.98Å; I343-V395 HydrophobicContact CD1-CG2 3.57Å; I343-V395 HydrophobicContact CG2-CG1 4.41Å; I343-L416 HydrophobicContact CD1-CD1 4.13Å; I343-L416 HydrophobicContact CD1-CD2 4.3Å |
| 344 | T | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 147.2 | -176 | 49.8 | 0 | 0 | 0 | 0 | 111.5 | V311 H327 I331 C333 V334 V351 S352 W354 | V311-T344 HydrophobicContact CG1-CG2 4.42Å; V311-T344 HydrophobicContact CG2-CG2 3.78Å; H327-T344 WeakPolarHBondContact NE2-CB 3.33Å; H327-T344 PolarHBondContact NE2-OG1 2.84Å; I331-T344 HydrophobicContact CG2-CG2 4.02Å; C333-T344 VanDerWaalsContact O-CA 3.3Å; C333-T344 WeakPolarHBondContact O-CA 3.27Å; V334-T344 HydrophobicContact CB-CG2 3.91Å; V334-T344 HydrophobicContact CG2-CG2 3.68Å; T344-V351 WeakPolarHBondContact O-CA 3.47Å; T344-S352 PolarHBondContact N-O 2.66Å; T344-S352 PolarHBondContact O-N 2.91Å; T344-S352 PolarHBondContact OG1-O 2.87Å; T344-S352 VanDerWaalsContact OG1-O 3.1Å; T344-W354 PolarHBondContact OG1-NE1 2.82Å |
| 345 | G | 95.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 143 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D332 C333 | D332-G345 PolarHBondContact N-O 2.84Å; D332-G345 VanDerWaalsContact N-O 3.14Å; C333-G345 PolarHBondContact N-O 2.85Å; C333-G345 PolarHBondContact O-N 2.9Å |
| 346 | A | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 167.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | H327 S330 D348 G349 S350 V383 | H327-A346 WeakPolarHBondContact ND1-CB 3.42Å; S330-A346 CarbonylContact O-C 3.59Å; S330-A346 WeakPolarHBondContact O-CA 3.26Å; S330-A346 WeakPolarHBondContact O-CB 3.35Å; A346-D348 VanDerWaalsContact C-N 3.34Å; A346-D348 WeakPolarHBondContact CB-OD1 3.38Å; A346-G349 PolarHBondContact O-N 2.78Å; A346-S350 PolarHBondContact N-O 3.49Å; A346-S350 VanDerWaalsContact N-O 3.15Å; A346-V383 PolarHBondContact O-N 3.44Å |
| 347 | D | 92.4 | Very high | 92.9 | Very high | 67 Ų | 67 | 17.9 Ų | 17.9 | 36% | 0.358 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -30.4 | 175.9 | 66.2 | -2.9 | 0 | 0 | 0 | 113.4 | G329 S330 G349 W382 | G329-D347 VanDerWaalsContact CA-OD1 3.22Å; G329-D347 WeakPolarHBondContact CA-OD1 3.22Å; S330-D347 WeakPolarHBondContact CB-OD2 3.37Å; S330-D347 VanDerWaalsContact N-CG 3.35Å; S330-D347 PolarHBondContact N-OD1 2.9Å; S330-D347 PolarHBondContact N-OD2 3.01Å; S330-D347 PolarHBondContact O-N 2.95Å; D347-G349 PolarHBondContact O-N 2.8Å; D347-W382 VanDerWaalsContact CA-CD1 3.44Å; D347-W382 HydrophobicContact CB-CG 4.22Å |
| 348 | D | 91.6 | Very high | 92.8 | Very high | 33 Ų | 33 | 23.2 Ų | 23.2 | 18% | 0.176 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | 5.5 | 169 | 69.1 | 19.6 | 0 | 0 | 0 | 114.4 | E328 G329 A346 S350 P380 | E328-D348 PolarHBondContact N-OD2 2.99Å; G329-D348 PolarHBondContact N-OD2 3.11Å; A346-D348 VanDerWaalsContact C-N 3.34Å; A346-D348 WeakPolarHBondContact CB-OD1 3.38Å; D348-S350 PolarHBondContact O-N 3.3Å; D348-S350 WeakPolarHBondContact OD1-CA 3.45Å; D348-S350 WeakPolarHBondContact OD1-CB 3.43Å; D348-S350 PolarHBondContact OD1-N 2.87Å; D348-S350 PolarHBondContact OD1-OG 2.91Å; D348-P380 VanDerWaalsContact C-CG 3.41Å; D348-P380 VanDerWaalsContact O-CB 3.23Å; D348-P380 WeakPolarHBondContact O-CB 3.46Å; D348-P380 VanDerWaalsContact O-CG 3.24Å; D348-P380 WeakPolarHBondContact O-CG 3.22Å |
| 349 | G | 91.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 67.6 | 12.3 | 180 | 0 | 0 | 0 | 0 | 0 | 113.7 | A346 D347 Q367 A368 | A346-G349 PolarHBondContact O-N 2.78Å; D347-G349 PolarHBondContact O-N 2.8Å; G349-Q367 PolarHBondContact O-N 3.17Å; G349-A368 WeakPolarHBondContact O-CB 3.32Å; G349-A368 PolarHBondContact O-N 3.17Å |
| 350 | S | 93.8 | Very high | 92.9 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | trans | -86.7 | 142.7 | 177.1 | 77.6 | 0 | 0 | 0 | 0 | 112.7 | H327 A346 D348 V365 | H327-S350 PolarHBondContact CE1-O 2.79Å; H327-S350 PolarHBondContact CE1-OG 2.95Å; H327-S350 PolarHBondContact ND1-OG 3.44Å; A346-S350 PolarHBondContact N-O 3.49Å; A346-S350 VanDerWaalsContact N-O 3.15Å; D348-S350 PolarHBondContact O-N 3.3Å; D348-S350 WeakPolarHBondContact OD1-CA 3.45Å; D348-S350 WeakPolarHBondContact OD1-CB 3.43Å; D348-S350 PolarHBondContact OD1-N 2.87Å; D348-S350 PolarHBondContact OD1-OG 2.91Å; S350-V365 CarbonylContact C-O 3.56Å; S350-V365 WeakPolarHBondContact CA-O 3.43Å | ||
| 351 | V | 95.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 115.5 | 167.6 | -178.7 | 0 | 0 | 0 | 0 | 107.4 | I343 T344 T364 V365 A368 V383 L416 | I343-V351 HydrophobicContact CD1-CG1 3.67Å; I343-V351 HydrophobicContact CG1-CG1 3.82Å; T344-V351 WeakPolarHBondContact O-CA 3.47Å; V351-T364 WeakPolarHBondContact O-CA 3.19Å; V351-V365 PolarHBondContact N-O 2.65Å; V351-V365 PolarHBondContact O-N 2.71Å; V351-A368 HydrophobicContact CB-CB 4.25Å; V351-A368 HydrophobicContact CG2-CB 3.57Å; V351-V383 HydrophobicContact CG2-CG1 4.27Å; V351-V383 HydrophobicContact CG2-CG2 3.84Å; V351-L416 HydrophobicContact CB-CD1 4.33Å; V351-L416 HydrophobicContact CG1-CD1 3.65Å |
| 352 | S | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 130.7 | -178.2 | -69.9 | 0 | 0 | 0 | 0 | 111.3 | H327 I343 T344 W354 T364 | H327-S352 PolarHBondContact CE1-OG 2.92Å; H327-S352 WeakPolarHBondContact NE2-CB 3.44Å; I343-S352 WeakPolarHBondContact CA-O 3.33Å; T344-S352 PolarHBondContact N-O 2.66Å; T344-S352 PolarHBondContact O-N 2.91Å; T344-S352 PolarHBondContact OG1-O 2.87Å; T344-S352 VanDerWaalsContact OG1-O 3.1Å; S352-W354 PolarHBondContact O-NE1 3.37Å; S352-T364 WeakPolarHBondContact OG-CB 3.23Å; S352-T364 WeakPolarHBondContact OG-CG2 3.42Å; S352-T364 PolarHBondContact OG-OG1 3.18Å |
| 353 | L | 94.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 127.5 | 175.9 | 179 | 56.5 | 0 | 0 | 0 | 109 | I337 P361 L362 G363 Y413 G415 L416 | I337-L353 HydrophobicContact CD1-CD1 3.42Å; I337-L353 VanDerWaalsContact CD1-CD1 3.42Å; L353-P361 CarbonylContact O-C 3.55Å; L353-L362 PolarHBondContact O-N 3.1Å; L353-G363 PolarHBondContact N-O 3.49Å; L353-G363 PolarHBondContact O-N 2.54Å; L353-Y413 HydrophobicContact CD1-CD1 4.32Å; L353-Y413 HydrophobicContact CD2-CD1 4.42Å; L353-Y413 VanDerWaalsContact CD2-O 3.25Å; L353-Y413 WeakPolarHBondContact CD2-O 3.33Å; L353-G415 WeakPolarHBondContact CD2-O 3.35Å; L353-L416 HydrophobicContact CB-CD1 4.23Å; L353-L416 HydrophobicContact CB-CG 4.29Å; L353-L416 HydrophobicContact CD2-CD2 3.95Å; L353-L416 HydrophobicContact CD2-CG 4.11Å |
| 354 | W | 94.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 163.9 | -172.6 | -54.2 | 80.8 | 0 | 0 | 0 | 111.7 | V311 F324 H327 H341 M342 T344 S352 P361 | V311-W354 HydrophobicContact CG2-CZ2 4.19Å; F324-W354 HydrophobicContact CB-CE3 3.91Å; F324-W354 HydrophobicContact CB-CZ3 3.77Å; F324-W354 HydrophobicContact CD1-CE3 4.19Å; F324-W354 HydrophobicContact CG-CE3 4.42Å; H327-W354 AromaticContact CD2-CZ2 3.67Å; H327-W354 AromaticContact NE2-CZ2 3.93Å; H327-W354 AromaticContact NE2-NE1 3.51Å; H341-W354 WeakPolarHBondContact CA-O 3.44Å; H341-W354 PolarHBondContact ND1-O 3.35Å; H341-W354 VanDerWaalsContact ND1-O 3.13Å; M342-W354 HydrophobicContact CE-CB 3.62Å; M342-W354 HydrophobicContact CE-CD2 4.26Å; M342-W354 HydrophobicContact CE-CG 3.81Å; M342-W354 HydrophobicContact CG-CB 3.69Å; M342-W354 HydrophobicContact CG-CG 4.21Å; M342-W354 PolarHBondContact N-O 3.45Å; M342-W354 PolarHBondContact O-N 3.38Å; T344-W354 PolarHBondContact OG1-NE1 2.82Å; S352-W354 PolarHBondContact O-NE1 3.37Å; W354-P361 HydrophobicContact CD2-CB 4.03Å; W354-P361 HydrophobicContact CE3-CB 4.05Å; W354-P361 HydrophobicContact CH2-CB 4.22Å; W354-P361 HydrophobicContact CH2-CG 4.19Å; W354-P361 HydrophobicContact CZ2-CB 4.19Å; W354-P361 HydrophobicContact CZ2-CG 4.46Å; W354-P361 HydrophobicContact CZ3-CB 4.16Å; W354-P361 VanDerWaalsContact CZ3-CD 3.46Å; W354-P361 HydrophobicContact CZ3-CG 4.32Å |
| 355 | G | 92.9 | Very high | 92.7 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 136.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | E340 N357 K358 | E340-G355 CarbonylContact O-C 3.58Å; E340-G355 VanDerWaalsContact O-CA 3.26Å; E340-G355 WeakPolarHBondContact O-CA 3.42Å; G355-N357 PolarHBondContact O-N 3.47Å; G355-K358 PolarHBondContact O-N 2.94Å |
| 356 | V | 90.7 | Very high | 92.6 | Very high | 24 Ų | 24 | 47.8 Ų | 47.8 | 15% | 0.145 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -26.8 | -174.7 | 178.9 | 0 | 0 | 0 | 0 | 112.3 | L322 F324 E340 K358 | L322-V356 HydrophobicContact CD1-CG1 3.72Å; F324-V356 HydrophobicContact CZ-CG1 4.37Å; F324-V356 WeakPolarHBondContact CZ-O 3.48Å; E340-V356 PolarHBondContact O-N 2.96Å; V356-K358 VanDerWaalsContact C-N 3.32Å; V356-K358 PolarHBondContact O-N 3.07Å |
| 357 | N | 89.4 | Confident | 92.4 | Very high | 137 Ų | 137 | 53.4 Ų | 53.4 | 73% | 0.733 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -4.5 | 179.7 | -58.1 | -34.2 | 0 | 0 | 0 | 115 | G355 | G355-N357 PolarHBondContact O-N 3.47Š|
| 358 | K | 90.6 | Very high | 92.4 | Very high | 113 Ų | 113 | 50.6 Ų | 50.6 | 49% | 0.491 | 25% | 0.252 | S | S | . | . | trans | -137 | 130.6 | 178 | -63 | -164.9 | -167.4 | 175.5 | 0 | 112.6 | F324 G355 V356 K360 L362 | F324-K358 WeakPolarHBondContact CD1-O 3.37Å; F324-K358 WeakPolarHBondContact CE1-O 3.21Å; G355-K358 PolarHBondContact O-N 2.94Å; V356-K358 VanDerWaalsContact C-N 3.32Å; V356-K358 PolarHBondContact O-N 3.07Å; K358-K360 VanDerWaalsContact C-N 3.27Å; K358-K360 PolarHBondContact O-N 3.27Å; K358-L362 HydrophobicContact CD-CD2 3.83Å; K358-L362 HydrophobicContact CG-CD2 4.4Å | ||
| 359 | K | 90.2 | Very high | 92.4 | Very high | 167 Ų | 167 | 49.5 Ų | 49.5 | 73% | 0.726 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -66.6 | -20.9 | 178.6 | -67.9 | -171.2 | 175.4 | -172.4 | 0 | 115.4 | H325 | H325-K359 PolarHBondContact N-O 3.23Š|
| 360 | K | 91 | Very high | 92.4 | Very high | 162 Ų | 162 | 51 Ų | 51 | 70% | 0.704 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -102.4 | 154.8 | 174.8 | -75 | -167.8 | 175.3 | -168.4 | 0 | 109.8 | K358 | K358-K360 VanDerWaalsContact C-N 3.27Å; K358-K360 PolarHBondContact O-N 3.27Å |
| 361 | P | 92.6 | Very high | 92.3 | Very high | 33 Ų | 33 | 52.7 Ų | 52.7 | 21% | 0.214 | 27% | 0.273 | C | S | . | . | trans | -59.9 | 152.7 | 176.1 | 25.8 | -33 | 0 | 0 | 0 | 111.6 | L353 W354 T364 | L353-P361 CarbonylContact O-C 3.55Å; W354-P361 HydrophobicContact CD2-CB 4.03Å; W354-P361 HydrophobicContact CE3-CB 4.05Å; W354-P361 HydrophobicContact CH2-CB 4.22Å; W354-P361 HydrophobicContact CH2-CG 4.19Å; W354-P361 HydrophobicContact CZ2-CB 4.19Å; W354-P361 HydrophobicContact CZ2-CG 4.46Å; W354-P361 HydrophobicContact CZ3-CB 4.16Å; W354-P361 VanDerWaalsContact CZ3-CD 3.46Å; W354-P361 HydrophobicContact CZ3-CG 4.32Å; P361-T364 WeakPolarHBondContact CG-OG1 3.48Å | ||
| 362 | L | 92.1 | Very high | 91.9 | Very high | 36 Ų | 36 | 55.2 Ų | 55.2 | 19% | 0.188 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -77.4 | -31.4 | 174.2 | -64.8 | 174.9 | 0 | 0 | 0 | 111.8 | H341 L353 K358 Y413 | H341-L362 WeakPolarHBondContact ND1-CD1 3.28Å; L353-L362 PolarHBondContact O-N 3.1Å; K358-L362 HydrophobicContact CD-CD2 3.83Å; K358-L362 HydrophobicContact CG-CD2 4.4Å; L362-Y413 VanDerWaalsContact CB-O 3.3Å; L362-Y413 WeakPolarHBondContact CB-O 3.23Å; L362-Y413 WeakPolarHBondContact CD1-O 3.1Å |
| 363 | G | 90.7 | Very high | 91.4 | Very high | 18 Ų | 18 | 57.9 Ų | 57.9 | 19% | 0.186 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.2 | 146.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110 | L353 | L353-G363 PolarHBondContact N-O 3.49Å; L353-G363 PolarHBondContact O-N 2.54Å |
| 364 | T | 93.4 | Very high | 91 | Very high | 54 Ų | 54 | 64 Ų | 64 | 33% | 0.331 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 124 | 179.8 | -63.8 | 0 | 0 | 0 | 0 | 108.7 | V351 S352 P361 K366 | V351-T364 WeakPolarHBondContact O-CA 3.19Å; S352-T364 WeakPolarHBondContact OG-CB 3.23Å; S352-T364 WeakPolarHBondContact OG-CG2 3.42Å; S352-T364 PolarHBondContact OG-OG1 3.18Å; P361-T364 WeakPolarHBondContact CG-OG1 3.48Å; T364-K366 HydrophobicContact CG2-CG 4.34Å |
| 365 | V | 94.3 | Very high | 90.3 | Very high | 35 Ų | 35 | 68.7 Ų | 68.7 | 21% | 0.212 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 110.3 | 168.7 | 178.2 | 0 | 0 | 0 | 0 | 106.8 | S350 V351 A368 W407 L416 | S350-V365 CarbonylContact C-O 3.56Å; S350-V365 WeakPolarHBondContact CA-O 3.43Å; V351-V365 PolarHBondContact N-O 2.65Å; V351-V365 PolarHBondContact O-N 2.71Å; V365-A368 HydrophobicContact CG1-CB 4.03Å; V365-W407 HydrophobicContact CG1-CH2 4Å; V365-W407 HydrophobicContact CG1-CZ3 4Å; V365-W407 HydrophobicContact CG2-CZ3 4.35Å; V365-L416 HydrophobicContact CG2-CB 3.87Å; V365-L416 HydrophobicContact CG2-CD1 4.47Å |
| 366 | K | 92.3 | Very high | 89.8 | Confident | 119 Ų | 119 | 72 Ų | 72 | 52% | 0.517 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 152.2 | 169.3 | -66.7 | -161.2 | 175.4 | -166.9 | 0 | 109.8 | E328 T364 A368 | E328-K366 IonicContact OE1-NZ 2.72Å; E328-K366 PolarHBondContact OE1-NZ 3.24Å; E328-K366 IonicContact OE2-NZ 2.7Å; E328-K366 PolarHBondContact OE2-NZ 3.04Å; T364-K366 HydrophobicContact CG2-CG 4.34Å; K366-A368 VanDerWaalsContact C-N 3.28Å; K366-A368 PolarHBondContact O-N 2.77Å |
| 367 | Q | 91.8 | Very high | 89.7 | Confident | 118 Ų | 118 | 77.3 Ų | 77.3 | 55% | 0.551 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 41.7 | 178.2 | -59.9 | 172.9 | -22.3 | 0 | 0 | 113.2 | G349 H369 G370 C371 P380 | G349-Q367 PolarHBondContact O-N 3.17Å; Q367-H369 PolarHBondContact O-N 2.81Å; Q367-G370 PolarHBondContact O-N 3.35Å; Q367-C371 PolarHBondContact NE2-SG 3.14Å; Q367-P380 HydrophobicContact CG-CB 4.31Å |
| 368 | A | 91.2 | Very high | 89.6 | Confident | 7 Ų | 7 | 76.5 Ų | 76.5 | 6% | 0.058 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -13.7 | -172 | 0 | 0 | 0 | 0 | 0 | 115.1 | G349 V351 V365 K366 N405 W407 | G349-A368 WeakPolarHBondContact O-CB 3.32Å; G349-A368 PolarHBondContact O-N 3.17Å; V351-A368 HydrophobicContact CB-CB 4.25Å; V351-A368 HydrophobicContact CG2-CB 3.57Å; V365-A368 HydrophobicContact CG1-CB 4.03Å; K366-A368 VanDerWaalsContact C-N 3.28Å; K366-A368 PolarHBondContact O-N 2.77Å; A368-N405 PolarHBondContact O-ND2 2.63Å; A368-W407 HydrophobicContact CB-CH2 3.91Å; A368-W407 HydrophobicContact CB-CZ2 3.79Å; A368-W407 WeakPolarHBondContact O-CH2 3.45Å; A368-W407 WeakPolarHBondContact O-CZ2 3.39Å |
| 369 | H | 92.6 | Very high | 89.5 | Confident | 10 Ų | 10 | 76.3 Ų | 76.3 | 5% | 0.046 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.4 | 12.8 | 174.3 | -77.7 | -101.5 | 0 | 0 | 0 | 113 | Q367 H381 S397 S399 N401 Q403 | Q367-H369 PolarHBondContact O-N 2.81Å; H369-H381 HydrophobicContact CB-CB 3.67Å; H369-H381 PolarHBondContact O-CD2 2.88Å; H369-S397 PolarHBondContact CE1-O 3.31Å; H369-S397 WeakPolarHBondContact NE2-CB 3.45Å; H369-S397 PolarHBondContact NE2-O 2.95Å; H369-S397 PolarHBondContact NE2-OG 2.82Å; H369-S399 VanDerWaalsContact ND1-CB 3.3Å; H369-S399 WeakPolarHBondContact ND1-CB 3.33Å; H369-N401 PolarHBondContact ND1-OD1 2.85Å; H369-N401 PolarHBondContact O-ND2 2.85Å; H369-Q403 PolarHBondContact CE1-O 2.82Å; H369-Q403 VanDerWaalsContact CE1-O 3.22Å; H369-Q403 PolarHBondContact ND1-O 3.19Å |
| 370 | G | 91.2 | Very high | 89.6 | Confident | 33 Ų | 33 | 70.2 Ų | 70.2 | 34% | 0.34 | 42% | 0.415 | S | S | . | . | trans | 82.6 | -158.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q367 H381 | Q367-G370 PolarHBondContact O-N 3.35Å; G370-H381 PolarHBondContact O-N 2.57Å | ||
| 371 | C | 90.9 | Very high | 89.7 | Confident | 38 Ų | 38 | 63.9 Ų | 63.9 | 26% | 0.257 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 160.9 | 179.3 | -63.2 | 0 | 0 | 0 | 0 | 111.6 | Q367 E378 Q379 | Q367-C371 PolarHBondContact NE2-SG 3.14Å; C371-E378 HydrophobicContact CB-CB 4.21Å; C371-Q379 CarbonylContact C-O 3.58Å; C371-Q379 WeakPolarHBondContact CA-O 3.29Å; C371-Q379 WeakPolarHBondContact CB-O 3.28Å |
| 372 | H | 87.4 | Confident | 89.7 | Confident | 53 Ų | 53 | 63.7 Ų | 63.7 | 25% | 0.245 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 160 | 175.5 | 68.9 | 77.7 | 0 | 0 | 0 | 111.6 | E378 Q379 H381 H400 | H372-E378 WeakPolarHBondContact O-CA 3.45Å; H372-Q379 PolarHBondContact N-O 3.17Å; H372-Q379 PolarHBondContact O-N 2.97Å; H372-H381 AromaticContact CD2-CE1 3.68Å; H372-H381 AromaticContact CD2-ND1 3.46Å; H372-H381 PolarHBondContact CD2-ND1 3.27Å; H372-H400 AromaticContact CD2-NE2 3.53Å; H372-H400 AromaticContact NE2-CE1 3.97Å; H372-H400 AromaticContact NE2-NE2 3.65Å |
| 373 | G | 85.1 | Confident | 89.8 | Confident | 56 Ų | 56 | 62 Ų | 62 | 58% | 0.577 | 37% | 0.374 | S | S | * | . | S | Bend | trans | 119.9 | -175 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 374 | D | 85.1 | Confident | 89.9 | Confident | 129 Ų | 129 | 61.1 Ų | 61.1 | 69% | 0.69 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -79.8 | 150.7 | 175.4 | -59.2 | -56.4 | 0 | 0 | 0 | 110.7 | G376 L377 E378 | D374-G376 PolarHBondContact O-N 2.79Å; D374-L377 CarbonylContact O-C 3.51Å; D374-L377 WeakPolarHBondContact O-CA 3.47Å; D374-L377 PolarHBondContact O-N 3.41Å; D374-E378 PolarHBondContact O-N 2.99Å |
| 375 | A | 80.9 | Confident | 90 | Very high | 97 Ų | 97 | 58.9 Ų | 58.9 | 80% | 0.802 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 123.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L377 | A375-L377 VanDerWaalsContact C-N 3.35Š|
| 376 | G | 81.9 | Confident | 90.1 | Very high | 74 Ų | 74 | 57.7 Ų | 57.7 | 76% | 0.763 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.2 | -6.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | D374 | D374-G376 PolarHBondContact O-N 2.79Š|
| 377 | L | 88.4 | Confident | 90.3 | Very high | 134 Ų | 134 | 52 Ų | 52 | 70% | 0.702 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -119.3 | 21.3 | 167.9 | -73.5 | 171 | 0 | 0 | 0 | 111.7 | D374 A375 Q379 | D374-L377 CarbonylContact O-C 3.51Å; D374-L377 WeakPolarHBondContact O-CA 3.47Å; D374-L377 PolarHBondContact O-N 3.41Å; A375-L377 VanDerWaalsContact C-N 3.35Å; L377-Q379 PolarHBondContact O-N 2.59Å |
| 378 | E | 88.2 | Confident | 90.5 | Very high | 120 Ų | 120 | 46.4 Ų | 46.4 | 56% | 0.561 | 29% | 0.294 | S | S | * | . | trans | -61.6 | 124.6 | -178.3 | -69.5 | 169.6 | -133.3 | 0 | 0 | 112 | C371 H372 D374 | C371-E378 HydrophobicContact CB-CB 4.21Å; H372-E378 WeakPolarHBondContact O-CA 3.45Å; D374-E378 PolarHBondContact O-N 2.99Å | ||
| 379 | Q | 88.6 | Confident | 90.5 | Very high | 109 Ų | 109 | 46.6 Ų | 46.6 | 51% | 0.509 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 140.8 | 176 | -66.6 | -177.4 | -6 | 0 | 0 | 109.9 | C371 H372 L377 | C371-Q379 CarbonylContact C-O 3.58Å; C371-Q379 WeakPolarHBondContact CA-O 3.29Å; C371-Q379 WeakPolarHBondContact CB-O 3.28Å; H372-Q379 PolarHBondContact N-O 3.17Å; H372-Q379 PolarHBondContact O-N 2.97Å; L377-Q379 PolarHBondContact O-N 2.59Å |
| 380 | P | 92.3 | Very high | 90.4 | Very high | 39 Ų | 39 | 48.8 Ų | 48.8 | 25% | 0.253 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 145.3 | 178.8 | 30.1 | -35.9 | 0 | 0 | 0 | 111.5 | D348 Q367 W382 | D348-P380 VanDerWaalsContact C-CG 3.41Å; D348-P380 VanDerWaalsContact O-CB 3.23Å; D348-P380 WeakPolarHBondContact O-CB 3.46Å; D348-P380 VanDerWaalsContact O-CG 3.24Å; D348-P380 WeakPolarHBondContact O-CG 3.22Å; Q367-P380 HydrophobicContact CG-CB 4.31Å; P380-W382 PolarHBondContact O-N 3.28Å |
| 381 | H | 92.8 | Very high | 90.2 | Very high | 29 Ų | 29 | 48 Ų | 48 | 13% | 0.134 | 29% | 0.291 | C | S | . | . | trans | -70.8 | 100.5 | 175.6 | -86.7 | -63.8 | 0 | 0 | 0 | 111.2 | H369 G370 H372 V383 S399 H400 N401 | H369-H381 HydrophobicContact CB-CB 3.67Å; H369-H381 PolarHBondContact O-CD2 2.88Å; G370-H381 PolarHBondContact O-N 2.57Å; H372-H381 AromaticContact CD2-CE1 3.68Å; H372-H381 AromaticContact CD2-ND1 3.46Å; H372-H381 PolarHBondContact CD2-ND1 3.27Å; H381-V383 PolarHBondContact O-N 2.92Å; H381-S399 PolarHBondContact O-OG 2.89Å; H381-H400 AromaticContact CE1-CD2 3.95Å; H381-H400 AromaticContact CE1-NE2 3.61Å; H381-H400 AromaticContact ND1-CD2 3.49Å; H381-H400 PolarHBondContact ND1-CD2 3.17Å; H381-H400 AromaticContact ND1-CE1 3.41Å; H381-H400 PolarHBondContact ND1-CE1 2.82Å; H381-H400 AromaticContact ND1-NE2 2.93Å; H381-H400 PolarHBondContact ND1-NE2 2.87Å; H381-N401 HydrophobicContact CB-CB 4.37Å | ||
| 382 | W | 92 | Very high | 90.2 | Very high | 29 Ų | 29 | 46.1 Ų | 46.1 | 11% | 0.11 | 28% | 0.279 | C | S | . | . | trans | -38.2 | 124 | 173.1 | 177.8 | 13.5 | 0 | 0 | 0 | 113.1 | D332 D347 P380 S384 S399 H448 W453 W454 | D332-W382 HydrophobicContact CB-CZ2 4.47Å; D332-W382 WeakPolarHBondContact OD2-CZ2 3.48Å; D332-W382 PolarHBondContact OD2-NE1 3.2Å; D347-W382 VanDerWaalsContact CA-CD1 3.44Å; D347-W382 HydrophobicContact CB-CG 4.22Å; P380-W382 PolarHBondContact O-N 3.28Å; W382-S384 PolarHBondContact O-N 3.06Å; W382-S399 WeakPolarHBondContact O-CA 3.18Å; W382-S399 WeakPolarHBondContact O-CB 3.43Å; W382-S399 PolarHBondContact O-OG 3.04Å; W382-H448 AromaticContact CH2-CE1 3.41Å; W382-H448 VanDerWaalsContact CH2-CE1 3.41Å; W382-H448 WeakPolarHBondContact CH2-CE1 3.46Å; W382-H448 AromaticContact CH2-CG 3.97Å; W382-H448 AromaticContact CH2-ND1 3.31Å; W382-H448 VanDerWaalsContact CH2-ND1 3.31Å; W382-H448 WeakPolarHBondContact CH2-ND1 3.44Å; W382-H448 AromaticContact CZ2-CE1 3.31Å; W382-H448 WeakPolarHBondContact CZ2-CE1 3.49Å; W382-H448 AromaticContact CZ2-ND1 3.75Å; W382-H448 AromaticContact CZ2-NE2 3.88Å; W382-H448 AromaticContact CZ3-ND1 3.86Å; W382-W453 HydrophobicContact CH2-CE3 4.08Å; W382-W453 HydrophobicContact CH2-CH2 4.47Å; W382-W453 AromaticContact CH2-CZ3 3.68Å; W382-W453 HydrophobicContact CH2-CZ3 3.68Å; W382-W453 AromaticContact CZ3-CE3 3.99Å; W382-W453 HydrophobicContact CZ3-CE3 3.99Å; W382-W453 HydrophobicContact CZ3-CZ3 4.07Å; W382-W454 HydrophobicContact CE3-CZ3 4.08Å; W382-W454 HydrophobicContact CZ3-CZ3 4.5Å | ||
| 383 | V | 95 | Very high | 90.3 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -79.9 | 93 | 171.5 | -175.9 | 0 | 0 | 0 | 0 | 109.4 | A346 V351 H381 S385 V386 G398 | A346-V383 PolarHBondContact O-N 3.44Å; V351-V383 HydrophobicContact CG2-CG1 4.27Å; V351-V383 HydrophobicContact CG2-CG2 3.84Å; H381-V383 PolarHBondContact O-N 2.92Å; V383-S385 WeakPolarHBondContact CG1-O 3.45Å; V383-V386 HydrophobicContact CG1-CG2 3.59Å; V383-G398 CarbonylContact C-O 3.56Å | ||
| 384 | S | 93.5 | Very high | 90.7 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.007 | 24% | 0.241 | C | C | . | . | trans | -75.6 | -19.9 | -176.5 | 50.4 | 0 | 0 | 0 | 0 | 114.3 | W382 G398 I428 | W382-S384 PolarHBondContact O-N 3.06Å; S384-G398 PolarHBondContact N-O 2.85Å; S384-G398 PolarHBondContact OG-O 2.91Å; S384-I428 PolarHBondContact OG-O 3.3Å | ||
| 385 | S | 95.3 | Very high | 91.2 | Very high | 7 Ų | 7 | 35 Ų | 35 | 5% | 0.049 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 155.9 | 168.6 | 58.6 | 0 | 0 | 0 | 0 | 113.2 | V383 G398 I428 | V383-S385 WeakPolarHBondContact CG1-O 3.45Å; S385-G398 PolarHBondContact N-O 2.93Å; S385-G398 PolarHBondContact O-N 2.87Å; S385-I428 PolarHBondContact OG-O 3.13Å |
| 386 | V | 96.5 | Very high | 91.9 | Very high | 9 Ų | 9 | 30.4 Ų | 30.4 | 6% | 0.055 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 146 | 173.1 | 169.2 | 0 | 0 | 0 | 0 | 108.2 | I343 V383 A396 | I343-V386 HydrophobicContact CB-CG1 4.33Å; I343-V386 HydrophobicContact CD1-CG1 4.12Å; I343-V386 HydrophobicContact CG1-CG1 3.99Å; I343-V386 HydrophobicContact CG2-CG1 3.57Å; V383-V386 HydrophobicContact CG1-CG2 3.59Å; V386-A396 CarbonylContact C-O 3.49Å; V386-A396 WeakPolarHBondContact CA-O 3.5Å |
| 387 | A | 96.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 150.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | V395 A396 L431 F433 | A387-V395 CarbonylContact O-C 3.58Å; A387-V395 WeakPolarHBondContact O-CA 3.09Å; A387-A396 PolarHBondContact N-O 3.44Å; A387-A396 PolarHBondContact O-N 2.78Å; A387-L431 HydrophobicContact CB-CB 3.64Å; A387-F433 HydrophobicContact CB-CD2 3.74Å; A387-F433 HydrophobicContact CB-CE2 3.82Å |
| 388 | A | 94.6 | Very high | 93 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.008 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 146.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q335 L336 I337 I343 V395 F433 | Q335-A388 VanDerWaalsContact NE2-N 3.17Å; Q335-A388 PolarHBondContact NE2-O 3.18Å; L336-A388 WeakPolarHBondContact O-CB 3.44Å; I337-A388 HydrophobicContact CB-CB 4.21Å; I337-A388 HydrophobicContact CG1-CB 3.64Å; I343-A388 HydrophobicContact CG2-CB 4.26Å; A388-V395 HydrophobicContact CB-CG1 3.98Å; A388-F433 VanDerWaalsContact C-CD2 3.41Å |
| 389 | L | 91.9 | Very high | 93.3 | Very high | 10 Ų | 10 | 14.8 Ų | 14.8 | 5% | 0.052 | 7% | 0.074 | C | C | . | . | trans | -87.1 | 118.7 | 163.1 | 172.3 | 63.3 | 0 | 0 | 0 | 107.4 | I131 S392 T394 F433 S434 | I131-L389 HydrophobicContact CD1-CD2 4.14Å; L389-S392 VanDerWaalsContact CB-OG 3.27Å; L389-S392 WeakPolarHBondContact CB-OG 3.42Å; L389-S392 WeakPolarHBondContact CG-OG 3.4Å; L389-S392 WeakPolarHBondContact O-CB 3.19Å; L389-S392 PolarHBondContact O-N 3.46Å; L389-S392 PolarHBondContact O-OG 2.82Å; L389-T394 PolarHBondContact N-O 2.71Å; L389-F433 HydrophobicContact CB-CB 4.12Å; L389-F433 HydrophobicContact CB-CD1 4.2Å; L389-F433 HydrophobicContact CB-CD2 4.05Å; L389-F433 HydrophobicContact CB-CE2 4.49Å; L389-F433 HydrophobicContact CB-CG 3.89Å; L389-F433 HydrophobicContact CD1-CB 4.09Å; L389-S434 WeakPolarHBondContact CD1-O 3.37Å | ||
| 390 | H | 89.8 | Confident | 93.4 | Very high | 57 Ų | 57 | 10.6 Ų | 10.6 | 26% | 0.264 | 5% | 0.054 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 140 | -172.9 | -50.2 | 102.8 | 0 | 0 | 0 | 112.2 | I337 S392 | I337-H390 WeakPolarHBondContact O-CA 3.23Å; H390-S392 PolarHBondContact O-N 2.84Å |
| 391 | N | 88.1 | Confident | 93.4 | Very high | 15 Ų | 15 | 10.1 Ų | 10.1 | 8% | 0.08 | 5% | 0.05 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 35.2 | 178.2 | -70 | -17.1 | 0 | 0 | 0 | 113.4 | E122 L127 Q128 R129 I337 N338 | E122-N391 PolarHBondContact O-ND2 3.31Å; L127-N391 WeakPolarHBondContact O-CB 3.4Å; Q128-N391 CarbonylContact C-O 3.53Å; Q128-N391 WeakPolarHBondContact CA-O 3.47Å; R129-N391 PolarHBondContact N-O 2.94Å; I337-N391 PolarHBondContact O-N 2.93Å; N338-N391 WeakPolarHBondContact CB-OD1 3.4Å |
| 392 | S | 89.6 | Confident | 93.2 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.056 | C | C | . | . | B | Isolated β-bridge | trans | -137.5 | 168.5 | -178.5 | 84.1 | 0 | 0 | 0 | 0 | 113.8 | R129 I337 L389 H390 T394 Y413 | R129-S392 VanDerWaalsContact O-CA 3.27Å; R129-S392 WeakPolarHBondContact O-CA 3.22Å; R129-S392 WeakPolarHBondContact O-CB 3.5Å; I337-S392 WeakPolarHBondContact CG2-O 3.38Å; L389-S392 VanDerWaalsContact CB-OG 3.27Å; L389-S392 WeakPolarHBondContact CB-OG 3.42Å; L389-S392 WeakPolarHBondContact CG-OG 3.4Å; L389-S392 WeakPolarHBondContact O-CB 3.19Å; L389-S392 PolarHBondContact O-N 3.46Å; L389-S392 PolarHBondContact O-OG 2.82Å; H390-S392 PolarHBondContact O-N 2.84Å; S392-T394 VanDerWaalsContact C-N 3.31Å; S392-T394 PolarHBondContact OG-N 2.67Å; S392-T394 VanDerWaalsContact OG-N 3.16Å; S392-Y413 PolarHBondContact O-OH 2.94Å |
| 393 | D | 91.5 | Very high | 93.2 | Very high | 3 Ų | 3 | 12.9 Ų | 12.9 | 2% | 0.016 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -84.7 | 8.8 | 171.5 | 66.3 | -13.3 | 0 | 0 | 0 | 114.7 | R129 L130 I131 A132 K408 C409 | R129-D393 PolarHBondContact O-N 2.92Å; L130-D393 WeakPolarHBondContact CA-OD2 3.29Å; L130-D393 HydrophobicContact CD2-CB 4.01Å; I131-D393 PolarHBondContact N-OD1 3.33Å; A132-D393 HydrophobicContact CB-CB 4.35Å; A132-D393 VanDerWaalsContact CB-OD1 3.23Å; A132-D393 WeakPolarHBondContact CB-OD1 3.45Å; A132-D393 WeakPolarHBondContact CB-OD2 3.43Å; A132-D393 PolarHBondContact N-OD1 3.29Å; D393-K408 WeakPolarHBondContact O-CA 3.43Å; D393-C409 HydrophobicContact CB-CB 4.27Å; D393-C409 PolarHBondContact O-N 3.09Å |
| 394 | T | 92.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 12.9 Ų | 12.9 | 1% | 0.006 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 129.6 | -176.3 | -54.3 | 0 | 0 | 0 | 0 | 112.7 | A132 L135 L389 S392 V406 F433 | A132-T394 WeakPolarHBondContact CB-OG1 3.44Å; L135-T394 HydrophobicContact CD1-CG2 3.65Å; L389-T394 PolarHBondContact N-O 2.71Å; S392-T394 VanDerWaalsContact C-N 3.31Å; S392-T394 PolarHBondContact OG-N 2.67Å; S392-T394 VanDerWaalsContact OG-N 3.16Å; T394-V406 HydrophobicContact CG2-CG1 4.08Å; T394-F433 HydrophobicContact CG2-CE1 3.95Å; T394-F433 HydrophobicContact CG2-CZ 3.9Å |
| 395 | V | 95.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 161.4 | 174.2 | -59.9 | 0 | 0 | 0 | 0 | 110.9 | I337 I343 A387 A388 W407 L416 | I337-V395 HydrophobicContact CD1-CG1 3.92Å; I337-V395 HydrophobicContact CG1-CG1 3.98Å; I343-V395 HydrophobicContact CD1-CB 3.8Å; I343-V395 HydrophobicContact CD1-CG1 3.98Å; I343-V395 HydrophobicContact CD1-CG2 3.57Å; I343-V395 HydrophobicContact CG2-CG1 4.41Å; A387-V395 CarbonylContact O-C 3.58Å; A387-V395 WeakPolarHBondContact O-CA 3.09Å; A388-V395 HydrophobicContact CB-CG1 3.98Å; V395-W407 HydrophobicContact CG2-CB 3.79Å; V395-W407 HydrophobicContact CG2-CG 4.39Å; V395-W407 PolarHBondContact N-O 2.87Å; V395-W407 PolarHBondContact O-N 2.82Å; V395-L416 HydrophobicContact CG2-CD2 3.75Å |
| 396 | A | 96.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 12.9 Ų | 12.9 | 1% | 0.008 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 147.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V386 A387 V404 N405 V406 L431 F433 L440 | V386-A396 CarbonylContact C-O 3.49Å; V386-A396 WeakPolarHBondContact CA-O 3.5Å; A387-A396 PolarHBondContact N-O 3.44Å; A387-A396 PolarHBondContact O-N 2.78Å; A396-V404 HydrophobicContact CB-CG1 4.25Å; A396-N405 CarbonylContact C-O 3.44Å; A396-N405 VanDerWaalsContact CA-O 3.25Å; A396-N405 WeakPolarHBondContact CA-O 3.38Å; A396-V406 HydrophobicContact CB-CG2 4.45Å; A396-L431 HydrophobicContact CB-CD1 4.37Å; A396-F433 HydrophobicContact CB-CE2 3.86Å; A396-F433 HydrophobicContact CB-CZ 3.65Å; A396-L440 HydrophobicContact CB-CD1 4.46Å; A396-L440 HydrophobicContact CB-CD2 3.77Å |
| 397 | S | 97.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 144.5 | 172.5 | 62.6 | 0 | 0 | 0 | 0 | 110.9 | H369 V404 N405 W407 | H369-S397 PolarHBondContact CE1-O 3.31Å; H369-S397 WeakPolarHBondContact NE2-CB 3.45Å; H369-S397 PolarHBondContact NE2-O 2.95Å; H369-S397 PolarHBondContact NE2-OG 2.82Å; S397-V404 CarbonylContact O-C 3.59Å; S397-V404 WeakPolarHBondContact O-CA 3.49Å; S397-N405 PolarHBondContact N-O 3.07Å; S397-N405 PolarHBondContact O-N 3.32Å; S397-W407 PolarHBondContact OG-NE1 3.48Å |
| 398 | G | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 136.7 | -180 | 0 | 0 | 0 | 0 | 0 | 110.2 | V383 S384 S385 | V383-G398 CarbonylContact C-O 3.56Å; S384-G398 PolarHBondContact N-O 2.85Å; S384-G398 PolarHBondContact OG-O 2.91Å; S385-G398 PolarHBondContact N-O 2.93Å; S385-G398 PolarHBondContact O-N 2.87Å |
| 399 | S | 94.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.075 | C | C | . | . | trans | -128.5 | -161.7 | -178.2 | -174.2 | 0 | 0 | 0 | 0 | 110.6 | H369 H381 W382 I428 | H369-S399 VanDerWaalsContact ND1-CB 3.3Å; H369-S399 WeakPolarHBondContact ND1-CB 3.33Å; H381-S399 PolarHBondContact O-OG 2.89Å; W382-S399 WeakPolarHBondContact O-CA 3.18Å; W382-S399 WeakPolarHBondContact O-CB 3.43Å; W382-S399 PolarHBondContact O-OG 3.04Å; S399-I428 WeakPolarHBondContact O-CB 3.49Å; S399-I428 PolarHBondContact O-N 2.89Å | ||
| 400 | H | 90.9 | Very high | 92.7 | Very high | 20 Ų | 20 | 14.6 Ų | 14.6 | 9% | 0.093 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -104.1 | -0.3 | 170.2 | 68.3 | -92.3 | 0 | 0 | 0 | 112.8 | H372 H381 S402 F427 | H372-H400 AromaticContact CD2-NE2 3.53Å; H372-H400 AromaticContact NE2-CE1 3.97Å; H372-H400 AromaticContact NE2-NE2 3.65Å; H381-H400 AromaticContact CE1-CD2 3.95Å; H381-H400 AromaticContact CE1-NE2 3.61Å; H381-H400 AromaticContact ND1-CD2 3.49Å; H381-H400 PolarHBondContact ND1-CD2 3.17Å; H381-H400 AromaticContact ND1-CE1 3.41Å; H381-H400 PolarHBondContact ND1-CE1 2.82Å; H381-H400 AromaticContact ND1-NE2 2.93Å; H381-H400 PolarHBondContact ND1-NE2 2.87Å; H400-S402 PolarHBondContact O-N 3.26Å; H400-F427 HydrophobicContact CB-CD1 3.54Å; H400-F427 HydrophobicContact CB-CD2 4.22Å; H400-F427 HydrophobicContact CB-CE1 3.33Å; H400-F427 HydrophobicContact CB-CE2 4.05Å; H400-F427 HydrophobicContact CB-CG 3.96Å; H400-F427 HydrophobicContact CB-CZ 3.58Å; H400-F427 AromaticContact CG-CE1 3.93Å |
| 401 | N | 91.2 | Very high | 92.3 | Very high | 30 Ų | 30 | 20.1 Ų | 20.1 | 16% | 0.16 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -69.3 | 8.4 | 171.8 | 84 | -29.8 | 0 | 0 | 0 | 113.7 | H369 H381 Q403 | H369-N401 PolarHBondContact ND1-OD1 2.85Å; H369-N401 PolarHBondContact O-ND2 2.85Å; H381-N401 HydrophobicContact CB-CB 4.37Å; N401-Q403 VanDerWaalsContact C-N 3.28Å; N401-Q403 PolarHBondContact ND2-OE1 2.88Å; N401-Q403 VanDerWaalsContact ND2-OE1 3.13Å; N401-Q403 PolarHBondContact O-N 3.29Å; N401-Q403 WeakPolarHBondContact OD1-CB 3.2Å; N401-Q403 PolarHBondContact OD1-N 3.38Å; N401-Q403 PolarHBondContact OD1-O 2.86Å |
| 402 | S | 89.7 | Confident | 91.9 | Very high | 38 Ų | 38 | 24.7 Ų | 24.7 | 27% | 0.266 | 13% | 0.126 | S | C | . | . | S | Bend | trans | 59 | 30.2 | -175.5 | -63.6 | 0 | 0 | 0 | 0 | 115.3 | H400 V424 G426 | H400-S402 PolarHBondContact O-N 3.26Å; S402-V424 CarbonylContact C-O 3.59Å; S402-V424 WeakPolarHBondContact CA-O 3.49Å; S402-V424 WeakPolarHBondContact CB-O 3.32Å; S402-V424 CarbonylContact O-C 3.48Å; S402-V424 PolarHBondContact O-N 3.45Å; S402-V424 VanDerWaalsContact O-O 3.13Å; S402-G426 PolarHBondContact OG-N 3.48Å; S402-G426 VanDerWaalsContact OG-N 3.14Å |
| 403 | Q | 92.4 | Very high | 91.6 | Very high | 77 Ų | 77 | 24.9 Ų | 24.9 | 36% | 0.36 | 13% | 0.126 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 141 | 173.6 | -61 | 174.7 | -20.7 | 0 | 0 | 111.6 | H369 N401 V422 I428 | H369-Q403 PolarHBondContact CE1-O 2.82Å; H369-Q403 VanDerWaalsContact CE1-O 3.22Å; H369-Q403 PolarHBondContact ND1-O 3.19Å; N401-Q403 VanDerWaalsContact C-N 3.28Å; N401-Q403 PolarHBondContact ND2-OE1 2.88Å; N401-Q403 VanDerWaalsContact ND2-OE1 3.13Å; N401-Q403 PolarHBondContact O-N 3.29Å; N401-Q403 WeakPolarHBondContact OD1-CB 3.2Å; N401-Q403 PolarHBondContact OD1-N 3.38Å; N401-Q403 PolarHBondContact OD1-O 2.86Å; Q403-V422 WeakPolarHBondContact CA-O 3.21Å; Q403-I428 VanDerWaalsContact C-CD1 3.46Å; Q403-I428 WeakPolarHBondContact O-CD1 3.23Å |
| 404 | V | 95.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 119.9 | 162.8 | 177.3 | 0 | 0 | 0 | 0 | 107.6 | A396 S397 S421 V422 V424 I428 L431 L440 A442 I466 | A396-V404 HydrophobicContact CB-CG1 4.25Å; S397-V404 CarbonylContact O-C 3.59Å; S397-V404 WeakPolarHBondContact O-CA 3.49Å; V404-S421 CarbonylContact O-C 3.56Å; V404-S421 WeakPolarHBondContact O-CA 3.2Å; V404-V422 HydrophobicContact CB-CB 4.41Å; V404-V422 PolarHBondContact N-O 3.04Å; V404-V422 PolarHBondContact O-N 3.45Å; V404-V424 HydrophobicContact CG2-CB 4.17Å; V404-V424 HydrophobicContact CG2-CG2 3.85Å; V404-I428 HydrophobicContact CG2-CD1 3.59Å; V404-I428 HydrophobicContact CG2-CG1 4.24Å; V404-I428 HydrophobicContact CG2-CG2 4.25Å; V404-L431 HydrophobicContact CG1-CD1 4.22Å; V404-L431 HydrophobicContact CG1-CD2 4.16Å; V404-L431 HydrophobicContact CG2-CD2 4.07Å; V404-L440 HydrophobicContact CG1-CD2 3.77Å; V404-A442 HydrophobicContact CG2-CB 4.35Å; V404-I466 HydrophobicContact CG2-CD1 4.37Å |
| 405 | N | 95.8 | Very high | 90.8 | Very high | 7 Ų | 7 | 34.1 Ų | 34.1 | 4% | 0.037 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 126.2 | 177 | -74.9 | -5.7 | 0 | 0 | 0 | 109.1 | A368 A396 S397 W407 L418 S421 | A368-N405 PolarHBondContact O-ND2 2.63Å; A396-N405 CarbonylContact C-O 3.44Å; A396-N405 VanDerWaalsContact CA-O 3.25Å; A396-N405 WeakPolarHBondContact CA-O 3.38Å; S397-N405 PolarHBondContact N-O 3.07Å; S397-N405 PolarHBondContact O-N 3.32Å; N405-W407 HydrophobicContact CB-CZ2 3.68Å; N405-W407 VanDerWaalsContact O-CD1 3.3Å; N405-W407 PolarHBondContact O-NE1 2.51Å; N405-L418 HydrophobicContact CB-CD1 3.74Å; N405-S421 VanDerWaalsContact OD1-CB 3.24Å; N405-S421 WeakPolarHBondContact OD1-CB 3.44Å; N405-S421 PolarHBondContact OD1-OG 2.91Å |
| 406 | V | 95.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 128.9 | 176.8 | -172.7 | 0 | 0 | 0 | 0 | 108.5 | T394 A396 L419 F420 L440 | T394-V406 HydrophobicContact CG2-CG1 4.08Å; A396-V406 HydrophobicContact CB-CG2 4.45Å; V406-L419 HydrophobicContact CG1-CD1 4.28Å; V406-L419 WeakPolarHBondContact O-CB 3.16Å; V406-L419 PolarHBondContact O-N 2.76Å; V406-F420 HydrophobicContact CB-CD2 4.2Å; V406-F420 HydrophobicContact CB-CE2 3.9Å; V406-F420 HydrophobicContact CB-CZ 4.14Å; V406-F420 HydrophobicContact CG1-CE2 4.49Å; V406-F420 HydrophobicContact CG1-CZ 4.27Å; V406-F420 HydrophobicContact CG2-CD2 4.11Å; V406-F420 HydrophobicContact CG2-CE2 3.59Å; V406-F420 HydrophobicContact CG2-CZ 4.15Å; V406-F420 PolarHBondContact N-O 3.35Å; V406-L440 HydrophobicContact CG2-CD2 4.39Å |
| 407 | W | 95.4 | Very high | 90.5 | Very high | 13 Ų | 13 | 39.9 Ų | 39.9 | 5% | 0.049 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 148.4 | -173.2 | -41.1 | 75.4 | 0 | 0 | 0 | 111.4 | V365 A368 V395 S397 N405 L416 E417 L418 | V365-W407 HydrophobicContact CG1-CH2 4Å; V365-W407 HydrophobicContact CG1-CZ3 4Å; V365-W407 HydrophobicContact CG2-CZ3 4.35Å; A368-W407 HydrophobicContact CB-CH2 3.91Å; A368-W407 HydrophobicContact CB-CZ2 3.79Å; A368-W407 WeakPolarHBondContact O-CH2 3.45Å; A368-W407 WeakPolarHBondContact O-CZ2 3.39Å; V395-W407 HydrophobicContact CG2-CB 3.79Å; V395-W407 HydrophobicContact CG2-CG 4.39Å; V395-W407 PolarHBondContact N-O 2.87Å; V395-W407 PolarHBondContact O-N 2.82Å; S397-W407 PolarHBondContact OG-NE1 3.48Å; N405-W407 HydrophobicContact CB-CZ2 3.68Å; N405-W407 VanDerWaalsContact O-CD1 3.3Å; N405-W407 PolarHBondContact O-NE1 2.51Å; W407-L416 HydrophobicContact CB-CD2 4.35Å; W407-L416 HydrophobicContact CE3-CB 4.38Å; W407-E417 CarbonylContact C-O 3.6Å; W407-E417 WeakPolarHBondContact CA-O 3.48Å; W407-E417 WeakPolarHBondContact CB-O 3.4Å; W407-L418 HydrophobicContact CD2-CD1 4.03Å; W407-L418 HydrophobicContact CE3-CB 3.81Å; W407-L418 HydrophobicContact CE3-CD1 4.03Å; W407-L418 HydrophobicContact CH2-CB 4.48Å; W407-L418 HydrophobicContact CH2-CD1 4.1Å; W407-L418 HydrophobicContact CZ2-CD1 4.11Å; W407-L418 HydrophobicContact CZ3-CB 3.76Å; W407-L418 HydrophobicContact CZ3-CD1 4.08Å; W407-L418 HydrophobicContact CZ3-CG 4.44Å |
| 408 | K | 94.1 | Very high | 90.4 | Very high | 33 Ų | 33 | 44 Ų | 44 | 14% | 0.143 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 125.7 | 170.1 | 170.4 | 167.9 | 156.7 | -71.1 | 0 | 109.6 | A132 K133 D393 L416 E417 L419 | A132-K408 HydrophobicContact CB-CB 3.77Å; A132-K408 HydrophobicContact CB-CD 3.91Å; A132-K408 HydrophobicContact CB-CG 3.69Å; K133-K408 HydrophobicContact CG-CD 4.45Å; D393-K408 WeakPolarHBondContact O-CA 3.43Å; K408-L416 WeakPolarHBondContact O-CA 3.34Å; K408-E417 HydrophobicContact CB-CB 4.39Å; K408-E417 PolarHBondContact N-O 2.98Å; K408-E417 IonicContact NZ-OE1 3.75Å; K408-E417 PolarHBondContact NZ-OE1 2.97Å; K408-E417 VanDerWaalsContact NZ-OE1 3.15Å; K408-E417 IonicContact NZ-OE2 2.65Å; K408-E417 PolarHBondContact NZ-OE2 3.49Å; K408-E417 PolarHBondContact O-N 3.21Å; K408-L419 HydrophobicContact CB-CD1 4.13Å; K408-L419 HydrophobicContact CB-CD2 3.83Å; K408-L419 HydrophobicContact CB-CG 3.88Å; K408-L419 HydrophobicContact CD-CD2 4.22Å |
| 409 | C | 91.6 | Very high | 90.2 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 3% | 0.027 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 130.1 | 167.9 | -69.4 | 0 | 0 | 0 | 0 | 109.9 | D393 Y413 | D393-C409 HydrophobicContact CB-CB 4.27Å; D393-C409 PolarHBondContact O-N 3.09Å; C409-Y413 HydrophobicContact CB-CD1 3.64Å; C409-Y413 HydrophobicContact CB-CE1 3.88Å |
| 410 | G | 84.7 | Confident | 90.1 | Very high | 6 Ų | 6 | 48.1 Ų | 48.1 | 6% | 0.062 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -63.9 | 163.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | N412 Y413 G415 | G410-N412 PolarHBondContact O-N 3.29Å; G410-Y413 WeakPolarHBondContact O-CA 3.39Å; G410-Y413 PolarHBondContact O-N 3.19Å; G410-G415 PolarHBondContact N-O 3.01Å |
| 411 | Q | 81.6 | Confident | 90.2 | Very high | 174 Ų | 174 | 49.5 Ų | 49.5 | 81% | 0.813 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -51.9 | 134.5 | 178.1 | -68.9 | -178.5 | -7.6 | 0 | 0 | 111.5 | Y413 R414 | Q411-Y413 PolarHBondContact O-N 2.78Å; Q411-R414 PolarHBondContact O-N 2.84Å |
| 412 | N | 79.1 | Confident | 90.3 | Very high | 111 Ų | 111 | 48.2 Ų | 48.2 | 59% | 0.594 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | 54.5 | 30 | -174.1 | -56.2 | -68.5 | 0 | 0 | 0 | 114.1 | G410 R414 | G410-N412 PolarHBondContact O-N 3.29Å; N412-R414 VanDerWaalsContact C-N 3.27Å; N412-R414 HydrophobicContact CB-CG 4.3Å; N412-R414 WeakPolarHBondContact O-CG 3.47Å; N412-R414 PolarHBondContact O-N 3.39Å |
| 413 | Y | 82.8 | Confident | 90.5 | Very high | 3 Ų | 3 | 50.3 Ų | 50.3 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | 56.8 | 35.4 | -180 | -58.5 | -85.2 | 0 | 0 | 0 | 113.6 | Q128 I337 H341 L353 L362 S392 C409 G410 Q411 G415 | Q128-Y413 VanDerWaalsContact CD-OH 3.26Å; Q128-Y413 PolarHBondContact NE2-OH 2.89Å; I337-Y413 HydrophobicContact CD1-CD1 4.06Å; I337-Y413 HydrophobicContact CD1-CE1 4.12Å; I337-Y413 HydrophobicContact CG2-CE1 3.85Å; H341-Y413 HydrophobicContact CB-CD1 4.46Å; H341-Y413 HydrophobicContact CB-CD2 4.36Å; H341-Y413 HydrophobicContact CB-CG 4.23Å; H341-Y413 AromaticContact CD2-CD2 3.22Å; H341-Y413 WeakPolarHBondContact CD2-CD2 3.35Å; H341-Y413 AromaticContact CD2-CE2 3.61Å; H341-Y413 AromaticContact CD2-CG 3.86Å; H341-Y413 AromaticContact CE1-CD2 3.86Å; H341-Y413 AromaticContact CG-CD2 3.62Å; H341-Y413 AromaticContact CG-CG 3.75Å; H341-Y413 AromaticContact ND1-CG 3.95Å; H341-Y413 AromaticContact NE2-CD2 3.4Å; H341-Y413 WeakPolarHBondContact NE2-CD2 3.17Å; L353-Y413 HydrophobicContact CD1-CD1 4.32Å; L353-Y413 HydrophobicContact CD2-CD1 4.42Å; L353-Y413 VanDerWaalsContact CD2-O 3.25Å; L353-Y413 WeakPolarHBondContact CD2-O 3.33Å; L362-Y413 VanDerWaalsContact CB-O 3.3Å; L362-Y413 WeakPolarHBondContact CB-O 3.23Å; L362-Y413 WeakPolarHBondContact CD1-O 3.1Å; S392-Y413 PolarHBondContact O-OH 2.94Å; C409-Y413 HydrophobicContact CB-CD1 3.64Å; C409-Y413 HydrophobicContact CB-CE1 3.88Å; G410-Y413 WeakPolarHBondContact O-CA 3.39Å; G410-Y413 PolarHBondContact O-N 3.19Å; Q411-Y413 PolarHBondContact O-N 2.78Å; Y413-G415 PolarHBondContact O-N 3Å |
| 414 | R | 80.6 | Confident | 90.5 | Very high | 179 Ų | 179 | 46.7 Ų | 46.7 | 68% | 0.675 | 24% | 0.237 | S | C | * | . | trans | -99.3 | 44.3 | -178.1 | -59.3 | -169.8 | -176.9 | -174 | 4.6 | 113.8 | Q411 N412 | Q411-R414 PolarHBondContact O-N 2.84Å; N412-R414 VanDerWaalsContact C-N 3.27Å; N412-R414 HydrophobicContact CB-CG 4.3Å; N412-R414 WeakPolarHBondContact O-CG 3.47Å; N412-R414 PolarHBondContact O-N 3.39Å | ||
| 415 | G | 87.1 | Confident | 90.3 | Very high | 19 Ų | 19 | 49.3 Ų | 49.3 | 20% | 0.196 | 26% | 0.256 | C | S | . | . | trans | 149.5 | 167.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L353 G410 Y413 | L353-G415 WeakPolarHBondContact CD2-O 3.35Å; G410-G415 PolarHBondContact N-O 3.01Å; Y413-G415 PolarHBondContact O-N 3Å | ||
| 416 | L | 92.5 | Very high | 90.1 | Very high | 21 Ų | 21 | 49 Ų | 49 | 11% | 0.11 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 122.6 | 173.7 | -69.2 | 169.8 | 0 | 0 | 0 | 107.9 | I343 V351 L353 V365 V395 W407 K408 | I343-L416 HydrophobicContact CD1-CD1 4.13Å; I343-L416 HydrophobicContact CD1-CD2 4.3Å; V351-L416 HydrophobicContact CB-CD1 4.33Å; V351-L416 HydrophobicContact CG1-CD1 3.65Å; L353-L416 HydrophobicContact CB-CD1 4.23Å; L353-L416 HydrophobicContact CB-CG 4.29Å; L353-L416 HydrophobicContact CD2-CD2 3.95Å; L353-L416 HydrophobicContact CD2-CG 4.11Å; V365-L416 HydrophobicContact CG2-CB 3.87Å; V365-L416 HydrophobicContact CG2-CD1 4.47Å; V395-L416 HydrophobicContact CG2-CD2 3.75Å; W407-L416 HydrophobicContact CB-CD2 4.35Å; W407-L416 HydrophobicContact CE3-CB 4.38Å; K408-L416 WeakPolarHBondContact O-CA 3.34Å |
| 417 | E | 93.3 | Very high | 90.1 | Very high | 101 Ų | 101 | 49.1 Ų | 49.1 | 47% | 0.472 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 129.8 | 176.1 | -65.3 | 165.1 | -149.1 | 0 | 0 | 108.3 | W407 K408 L419 | W407-E417 CarbonylContact C-O 3.6Å; W407-E417 WeakPolarHBondContact CA-O 3.48Å; W407-E417 WeakPolarHBondContact CB-O 3.4Å; K408-E417 HydrophobicContact CB-CB 4.39Å; K408-E417 PolarHBondContact N-O 2.98Å; K408-E417 IonicContact NZ-OE1 3.75Å; K408-E417 PolarHBondContact NZ-OE1 2.97Å; K408-E417 VanDerWaalsContact NZ-OE1 3.15Å; K408-E417 IonicContact NZ-OE2 2.65Å; K408-E417 PolarHBondContact NZ-OE2 3.49Å; K408-E417 PolarHBondContact O-N 3.21Å; E417-L419 PolarHBondContact O-N 3.47Å |
| 418 | L | 93.8 | Very high | 90.1 | Very high | 88 Ų | 88 | 48.5 Ų | 48.5 | 46% | 0.461 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 126.9 | 174.7 | -176.5 | 65.8 | 0 | 0 | 0 | 109.4 | N405 W407 | N405-L418 HydrophobicContact CB-CD1 3.74Å; W407-L418 HydrophobicContact CD2-CD1 4.03Å; W407-L418 HydrophobicContact CE3-CB 3.81Å; W407-L418 HydrophobicContact CE3-CD1 4.03Å; W407-L418 HydrophobicContact CH2-CB 4.48Å; W407-L418 HydrophobicContact CH2-CD1 4.1Å; W407-L418 HydrophobicContact CZ2-CD1 4.11Å; W407-L418 HydrophobicContact CZ3-CB 3.76Å; W407-L418 HydrophobicContact CZ3-CD1 4.08Å; W407-L418 HydrophobicContact CZ3-CG 4.44Å |
| 419 | L | 91.6 | Very high | 90.1 | Very high | 59 Ų | 59 | 47 Ų | 47 | 31% | 0.309 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -57.1 | 173.2 | -67.3 | 173.7 | 0 | 0 | 0 | 110.8 | A132 L135 V406 K408 E417 | A132-L419 HydrophobicContact CB-CD1 4.14Å; A132-L419 VanDerWaalsContact O-CD1 3.27Å; A132-L419 WeakPolarHBondContact O-CD1 3.45Å; A132-L419 WeakPolarHBondContact O-CD2 3.37Å; L135-L419 HydrophobicContact CD1-CD1 4.43Å; V406-L419 HydrophobicContact CG1-CD1 4.28Å; V406-L419 WeakPolarHBondContact O-CB 3.16Å; V406-L419 PolarHBondContact O-N 2.76Å; K408-L419 HydrophobicContact CB-CD1 4.13Å; K408-L419 HydrophobicContact CB-CD2 3.83Å; K408-L419 HydrophobicContact CB-CG 3.88Å; K408-L419 HydrophobicContact CD-CD2 4.22Å; E417-L419 PolarHBondContact O-N 3.47Å |
| 420 | F | 92.8 | Very high | 90.3 | Very high | 26 Ų | 26 | 47.6 Ų | 47.6 | 11% | 0.114 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | 162.1 | -179.3 | 53.4 | -99.5 | 0 | 0 | 0 | 111.5 | L135 P137 P138 V406 V422 L468 | L135-F420 HydrophobicContact CB-CE1 4.22Å; P137-F420 HydrophobicContact CB-CB 4.08Å; P137-F420 HydrophobicContact CB-CD1 4.07Å; P137-F420 HydrophobicContact CB-CD2 4.21Å; P137-F420 HydrophobicContact CB-CG 3.88Å; P138-F420 HydrophobicContact CG-CE2 4.46Å; V406-F420 HydrophobicContact CB-CD2 4.2Å; V406-F420 HydrophobicContact CB-CE2 3.9Å; V406-F420 HydrophobicContact CB-CZ 4.14Å; V406-F420 HydrophobicContact CG1-CE2 4.49Å; V406-F420 HydrophobicContact CG1-CZ 4.27Å; V406-F420 HydrophobicContact CG2-CD2 4.11Å; V406-F420 HydrophobicContact CG2-CE2 3.59Å; V406-F420 HydrophobicContact CG2-CZ 4.15Å; V406-F420 PolarHBondContact N-O 3.35Å; F420-V422 HydrophobicContact CD2-CG2 3.76Å; F420-V422 HydrophobicContact CE2-CG2 3.72Å; F420-L468 HydrophobicContact CZ-CD2 4.37Å |
| 421 | S | 93.9 | Very high | 90.8 | Very high | 50 Ų | 50 | 47.4 Ų | 47.4 | 35% | 0.35 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 127.2 | 175.8 | -61.1 | 0 | 0 | 0 | 0 | 109.9 | V404 N405 | V404-S421 CarbonylContact O-C 3.56Å; V404-S421 WeakPolarHBondContact O-CA 3.2Å; N405-S421 VanDerWaalsContact OD1-CB 3.24Å; N405-S421 WeakPolarHBondContact OD1-CB 3.44Å; N405-S421 PolarHBondContact OD1-OG 2.91Å |
| 422 | V | 93.6 | Very high | 91.5 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.012 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 123.2 | 178.2 | -172.7 | 0 | 0 | 0 | 0 | 109.3 | P138 I143 Q403 V404 F420 V424 I466 | P138-V422 HydrophobicContact CG-CG1 4.27Å; P138-V422 HydrophobicContact CG-CG2 3.86Å; I143-V422 HydrophobicContact CD1-CG1 3.43Å; I143-V422 VanDerWaalsContact CD1-CG1 3.43Å; Q403-V422 WeakPolarHBondContact CA-O 3.21Å; V404-V422 HydrophobicContact CB-CB 4.41Å; V404-V422 PolarHBondContact N-O 3.04Å; V404-V422 PolarHBondContact O-N 3.45Å; F420-V422 HydrophobicContact CD2-CG2 3.76Å; F420-V422 HydrophobicContact CE2-CG2 3.72Å; V422-V424 HydrophobicContact CG1-CG2 4.18Å; V422-V424 PolarHBondContact O-N 3.15Å; V422-I466 HydrophobicContact CG1-CD1 4.19Å; V422-I466 HydrophobicContact CG1-CG1 4.43Å; V422-I466 HydrophobicContact CG1-CG2 4.09Å; V422-I466 HydrophobicContact CG2-CG2 4.36Å |
| 423 | P | 92.4 | Very high | 92.3 | Very high | 83 Ų | 83 | 37.3 Ų | 37.3 | 54% | 0.539 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 121.1 | -179.5 | 29.1 | -33.7 | 0 | 0 | 0 | 111.4 | ||
| 424 | V | 92.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | trans | -142.6 | 103.4 | -175 | 178.3 | 0 | 0 | 0 | 0 | 109.4 | S402 V404 V422 G426 I428 A442 V444 Y464 I466 | S402-V424 CarbonylContact C-O 3.59Å; S402-V424 WeakPolarHBondContact CA-O 3.49Å; S402-V424 WeakPolarHBondContact CB-O 3.32Å; S402-V424 CarbonylContact O-C 3.48Å; S402-V424 PolarHBondContact O-N 3.45Å; S402-V424 VanDerWaalsContact O-O 3.13Å; V404-V424 HydrophobicContact CG2-CB 4.17Å; V404-V424 HydrophobicContact CG2-CG2 3.85Å; V422-V424 HydrophobicContact CG1-CG2 4.18Å; V422-V424 PolarHBondContact O-N 3.15Å; V424-G426 PolarHBondContact O-N 2.85Å; V424-I428 HydrophobicContact CB-CD1 4.43Å; V424-I428 HydrophobicContact CG1-CG1 4.27Å; V424-A442 HydrophobicContact CG1-CB 4.42Å; V424-V444 HydrophobicContact CG1-CG2 3.5Å; V424-V444 VanDerWaalsContact CG1-CG2 3.5Å; V424-Y464 HydrophobicContact CG1-CD1 4.1Å; V424-Y464 HydrophobicContact CG1-CD2 4.18Å; V424-Y464 HydrophobicContact CG1-CG 3.94Å; V424-I466 HydrophobicContact CG2-CD1 4.03Å | ||
| 425 | S | 91.4 | Very high | 93.2 | Very high | 55 Ų | 55 | 31.4 Ų | 31.4 | 39% | 0.385 | 18% | 0.182 | S | C | . | . | trans | -73.3 | 97.6 | -167.2 | 51.3 | 0 | 0 | 0 | 0 | 115.2 | V444 A459 | S425-V444 WeakPolarHBondContact O-CG1 3.34Å; S425-A459 WeakPolarHBondContact O-CA 3.43Å; S425-A459 WeakPolarHBondContact O-CB 3.48Å | ||
| 426 | G | 92.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.19 | C | C | . | . | S | Bend | trans | 149.1 | -164.4 | 169 | 0 | 0 | 0 | 0 | 0 | 115.6 | S402 V424 A459 | S402-G426 PolarHBondContact OG-N 3.48Å; S402-G426 VanDerWaalsContact OG-N 3.14Å; V424-G426 PolarHBondContact O-N 2.85Å; G426-A459 VanDerWaalsContact CA-CB 3.44Å |
| 427 | F | 94.5 | Very high | 92.9 | Very high | 3 Ų | 3 | 32 Ų | 32 | 1% | 0.013 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 116 | 167.1 | -83.6 | -96 | 0 | 0 | 0 | 109.3 | H400 N429 V444 G445 H448 W454 L456 | H400-F427 HydrophobicContact CB-CD1 3.54Å; H400-F427 HydrophobicContact CB-CD2 4.22Å; H400-F427 HydrophobicContact CB-CE1 3.33Å; H400-F427 HydrophobicContact CB-CE2 4.05Å; H400-F427 HydrophobicContact CB-CG 3.96Å; H400-F427 HydrophobicContact CB-CZ 3.58Å; H400-F427 AromaticContact CG-CE1 3.93Å; F427-N429 PolarHBondContact O-N 3.12Å; F427-N429 VanDerWaalsContact O-N 3.16Å; F427-V444 WeakPolarHBondContact O-CA 3.46Å; F427-G445 PolarHBondContact N-O 2.84Å; F427-G445 PolarHBondContact O-N 2.94Å; F427-H448 HydrophobicContact CD1-CB 3.86Å; F427-H448 HydrophobicContact CE1-CB 4.02Å; F427-W454 HydrophobicContact CE1-CE3 4.38Å; F427-W454 HydrophobicContact CE2-CB 4.32Å; F427-W454 HydrophobicContact CZ-CB 3.93Å; F427-W454 HydrophobicContact CZ-CE3 4.08Å; F427-L456 HydrophobicContact CD2-CD1 3.83Å; F427-L456 HydrophobicContact CD2-CG 4.19Å; F427-L456 HydrophobicContact CE2-CD1 3.91Å; F427-L456 HydrophobicContact CE2-CG 3.92Å |
| 428 | I | 95.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 87.2 | 176.8 | -57.2 | 150.5 | 0 | 0 | 0 | 107.7 | S384 S385 S399 Q403 V404 V424 L431 A442 V444 | S384-I428 PolarHBondContact OG-O 3.3Å; S385-I428 PolarHBondContact OG-O 3.13Å; S399-I428 WeakPolarHBondContact O-CB 3.49Å; S399-I428 PolarHBondContact O-N 2.89Å; Q403-I428 VanDerWaalsContact C-CD1 3.46Å; Q403-I428 WeakPolarHBondContact O-CD1 3.23Å; V404-I428 HydrophobicContact CG2-CD1 3.59Å; V404-I428 HydrophobicContact CG2-CG1 4.24Å; V404-I428 HydrophobicContact CG2-CG2 4.25Å; V424-I428 HydrophobicContact CB-CD1 4.43Å; V424-I428 HydrophobicContact CG1-CG1 4.27Å; I428-L431 HydrophobicContact CG2-CD1 4.15Å; I428-L431 HydrophobicContact CG2-CD2 3.78Å; I428-L431 HydrophobicContact CG2-CG 3.73Å; I428-A442 HydrophobicContact CG2-CB 4.3Å; I428-V444 HydrophobicContact CG1-CG2 4.43Å |
| 429 | N | 95.1 | Very high | 92.7 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | -20.6 | -172.6 | -78.3 | -28.3 | 0 | 0 | 0 | 113.3 | I153 F427 G443 E447 H448 R449 | I153-N429 WeakPolarHBondContact O-CB 3.36Å; I153-N429 PolarHBondContact O-ND2 3.45Å; F427-N429 PolarHBondContact O-N 3.12Å; F427-N429 VanDerWaalsContact O-N 3.16Å; N429-G443 PolarHBondContact N-O 2.84Å; N429-E447 PolarHBondContact ND2-O 2.86Å; N429-H448 VanDerWaalsContact OD1-CA 3.3Å; N429-H448 WeakPolarHBondContact OD1-CA 3.36Å; N429-H448 PolarHBondContact OD1-CD2 3.28Å; N429-R449 HydrophobicContact CB-CB 4.07Å; N429-R449 PolarHBondContact ND2-N 2.79Å; N429-R449 PolarHBondContact OD1-N 2.85Å |
| 430 | S | 95 | Very high | 92.9 | Very high | 15 Ų | 15 | 27.3 Ų | 27.3 | 11% | 0.105 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 140.5 | 179.8 | -163.8 | 0 | 0 | 0 | 0 | 110.3 | L156 G443 | L156-S430 PolarHBondContact N-OG 2.99Å; S430-G443 PolarHBondContact N-O 2.94Å; S430-G443 PolarHBondContact O-N 2.94Å |
| 431 | L | 96.1 | Very high | 93.1 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 139.5 | 172.9 | -75.5 | 170.3 | 0 | 0 | 0 | 108.5 | A387 A396 V404 I428 L440 V441 A442 | A387-L431 HydrophobicContact CB-CB 3.64Å; A396-L431 HydrophobicContact CB-CD1 4.37Å; V404-L431 HydrophobicContact CG1-CD1 4.22Å; V404-L431 HydrophobicContact CG1-CD2 4.16Å; V404-L431 HydrophobicContact CG2-CD2 4.07Å; I428-L431 HydrophobicContact CG2-CD1 4.15Å; I428-L431 HydrophobicContact CG2-CD2 3.78Å; I428-L431 HydrophobicContact CG2-CG 3.73Å; L431-L440 HydrophobicContact CB-CD1 4.45Å; L431-L440 HydrophobicContact CD2-CD1 4.16Å; L431-L440 HydrophobicContact CD2-CD2 4.48Å; L431-L440 HydrophobicContact CD2-CG 4.32Å; L431-V441 WeakPolarHBondContact CA-O 3.2Å; L431-A442 HydrophobicContact CD2-CB 3.59Å |
| 432 | K | 96.3 | Very high | 93.2 | Very high | 61 Ų | 61 | 23.7 Ų | 23.7 | 27% | 0.265 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 137.1 | 165.4 | -70.5 | -62.1 | 172.5 | -177.1 | 0 | 110.7 | I158 V441 | I158-K432 HydrophobicContact CD1-CB 3.9Å; I158-K432 WeakPolarHBondContact CD1-O 3.5Å; I158-K432 HydrophobicContact CG1-CB 4.21Å; K432-V441 PolarHBondContact N-O 3.43Å; K432-V441 PolarHBondContact O-N 2.95Å |
| 433 | F | 95.7 | Very high | 93.3 | Very high | 12 Ų | 12 | 23.6 Ų | 23.6 | 5% | 0.053 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 145.2 | 168 | -70 | -90.4 | 0 | 0 | 0 | 110.3 | A387 A388 L389 T394 A396 L440 L468 | A387-F433 HydrophobicContact CB-CD2 3.74Å; A387-F433 HydrophobicContact CB-CE2 3.82Å; A388-F433 VanDerWaalsContact C-CD2 3.41Å; L389-F433 HydrophobicContact CB-CB 4.12Å; L389-F433 HydrophobicContact CB-CD1 4.2Å; L389-F433 HydrophobicContact CB-CD2 4.05Å; L389-F433 HydrophobicContact CB-CE2 4.49Å; L389-F433 HydrophobicContact CB-CG 3.89Å; L389-F433 HydrophobicContact CD1-CB 4.09Å; T394-F433 HydrophobicContact CG2-CE1 3.95Å; T394-F433 HydrophobicContact CG2-CZ 3.9Å; A396-F433 HydrophobicContact CB-CE2 3.86Å; A396-F433 HydrophobicContact CB-CZ 3.65Å; F433-L440 HydrophobicContact CD1-CB 4.18Å; F433-L440 HydrophobicContact CD1-CD1 4Å; F433-L440 HydrophobicContact CD2-CD1 4.05Å; F433-L440 HydrophobicContact CE1-CB 4.28Å; F433-L440 HydrophobicContact CE1-CD1 4.1Å; F433-L440 HydrophobicContact CE1-CD2 4.31Å; F433-L440 HydrophobicContact CE1-CG 4.48Å; F433-L440 HydrophobicContact CE2-CD1 4.14Å; F433-L440 HydrophobicContact CG-CD1 3.99Å; F433-L440 HydrophobicContact CZ-CD1 4.17Å; F433-L440 HydrophobicContact CZ-CD2 4.39Å; F433-L468 HydrophobicContact CD1-CD1 3.68Å; F433-L468 HydrophobicContact CE1-CD1 3.65Å |
| 434 | S | 94.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -54 | 145.2 | 162.9 | 59.7 | 0 | 0 | 0 | 0 | 111.4 | D162 L389 S436 G437 Q438 F439 | D162-S434 WeakPolarHBondContact OD1-CA 3.47Å; D162-S434 WeakPolarHBondContact OD1-CB 3.33Å; D162-S434 WeakPolarHBondContact OD2-CB 3.39Å; L389-S434 WeakPolarHBondContact CD1-O 3.37Å; S434-S436 VanDerWaalsContact C-N 3.27Å; S434-S436 PolarHBondContact O-N 3.46Å; S434-G437 PolarHBondContact O-N 3.3Å; S434-G437 WeakPolarHBondContact OG-CA 3.35Å; S434-G437 PolarHBondContact OG-N 2.81Å; S434-G437 VanDerWaalsContact OG-N 3.16Å; S434-Q438 PolarHBondContact OG-N 2.97Å; S434-F439 WeakPolarHBondContact CB-O 3.48Å; S434-F439 PolarHBondContact N-O 3.27Å; S434-F439 PolarHBondContact OG-N 2.84Å; S434-F439 PolarHBondContact OG-O 2.81Å | ||
| 435 | S | 88.3 | Confident | 93.5 | Very high | 59 Ų | 59 | 19.6 Ų | 19.6 | 41% | 0.413 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -40.2 | 176.7 | -54.7 | 0 | 0 | 0 | 0 | 112.6 | P160 D162 G437 | P160-S435 WeakPolarHBondContact O-CB 3.39Å; P160-S435 PolarHBondContact O-OG 3.15Å; D162-S435 VanDerWaalsContact CG-N 3.35Å; D162-S435 PolarHBondContact OD1-N 2.99Å; D162-S435 PolarHBondContact OD2-N 2.92Å; D162-S435 VanDerWaalsContact OD2-N 3.15Å; S435-G437 VanDerWaalsContact C-N 3.27Å; S435-G437 PolarHBondContact O-N 3.42Å |
| 436 | S | 85.6 | Confident | 93.6 | Very high | 52 Ų | 52 | 18.6 Ų | 18.6 | 36% | 0.364 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -15.6 | 175.5 | 57.6 | 0 | 0 | 0 | 0 | 114.7 | D162 S434 Q438 R470 | D162-S436 WeakPolarHBondContact OD2-CB 3.23Å; D162-S436 PolarHBondContact OD2-N 3.46Å; D162-S436 PolarHBondContact OD2-OG 3.5Å; S434-S436 VanDerWaalsContact C-N 3.27Å; S434-S436 PolarHBondContact O-N 3.46Å; S436-Q438 VanDerWaalsContact C-N 3.33Å; S436-Q438 PolarHBondContact OG-N 2.89Å; S436-R470 PolarHBondContact O-NH2 2.77Å |
| 437 | G | 87 | Confident | 93.7 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | S | Bend | trans | 64.4 | 29.8 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | S434 S435 R470 | S434-G437 PolarHBondContact O-N 3.3Å; S434-G437 WeakPolarHBondContact OG-CA 3.35Å; S434-G437 PolarHBondContact OG-N 2.81Å; S434-G437 VanDerWaalsContact OG-N 3.16Å; S435-G437 VanDerWaalsContact C-N 3.27Å; S435-G437 PolarHBondContact O-N 3.42Å; G437-R470 PolarHBondContact O-NH2 2.7Å |
| 438 | Q | 89.5 | Confident | 93.6 | Very high | 129 Ų | 129 | 19.7 Ų | 19.7 | 60% | 0.603 | 11% | 0.105 | S | C | * | . | S | Bend | trans | -90.2 | -19.4 | 175.2 | -70.5 | -174 | -4 | 0 | 0 | 114 | S434 S436 L468 | S434-Q438 PolarHBondContact OG-N 2.97Å; S436-Q438 VanDerWaalsContact C-N 3.33Å; S436-Q438 PolarHBondContact OG-N 2.89Å; Q438-L468 PolarHBondContact O-N 2.72Å |
| 439 | F | 93.8 | Very high | 93.3 | Very high | 19 Ų | 19 | 20.9 Ų | 20.9 | 8% | 0.083 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 159.4 | 177 | 59.5 | -91 | 0 | 0 | 0 | 113.5 | I158 D162 V179 S434 V441 I465 I466 | I158-F439 HydrophobicContact CD1-CE2 4.13Å; I158-F439 HydrophobicContact CG2-CE2 4.38Å; I158-F439 HydrophobicContact CG2-CZ 4.35Å; D162-F439 HydrophobicContact CB-CE1 4.01Å; D162-F439 HydrophobicContact CB-CZ 3.98Å; D162-F439 WeakPolarHBondContact O-CZ 3.31Å; V179-F439 HydrophobicContact CG1-CE1 4.14Å; V179-F439 HydrophobicContact CG1-CE2 4.47Å; V179-F439 HydrophobicContact CG1-CZ 3.99Å; V179-F439 HydrophobicContact CG2-CE2 4.49Å; V179-F439 HydrophobicContact CG2-CZ 4.17Å; S434-F439 WeakPolarHBondContact CB-O 3.48Å; S434-F439 PolarHBondContact N-O 3.27Å; S434-F439 PolarHBondContact OG-N 2.84Å; S434-F439 PolarHBondContact OG-O 2.81Å; F439-V441 HydrophobicContact CD2-CG2 3.55Å; F439-V441 HydrophobicContact CE2-CG2 3.56Å; F439-I465 HydrophobicContact CB-CG2 4.3Å; F439-I465 HydrophobicContact CD2-CG2 4.03Å; F439-I465 HydrophobicContact CG-CG2 4.3Å; F439-I466 CarbonylContact C-O 3.58Å; F439-I466 VanDerWaalsContact CA-O 3.31Å; F439-I466 WeakPolarHBondContact CA-O 3.44Å; F439-I466 WeakPolarHBondContact CB-O 3.43Å |
| 440 | L | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 133.7 | 173.4 | 175 | 60.8 | 0 | 0 | 0 | 108.8 | A396 V404 V406 L431 F433 I466 L468 | A396-L440 HydrophobicContact CB-CD1 4.46Å; A396-L440 HydrophobicContact CB-CD2 3.77Å; V404-L440 HydrophobicContact CG1-CD2 3.77Å; V406-L440 HydrophobicContact CG2-CD2 4.39Å; L431-L440 HydrophobicContact CB-CD1 4.45Å; L431-L440 HydrophobicContact CD2-CD1 4.16Å; L431-L440 HydrophobicContact CD2-CD2 4.48Å; L431-L440 HydrophobicContact CD2-CG 4.32Å; F433-L440 HydrophobicContact CD1-CB 4.18Å; F433-L440 HydrophobicContact CD1-CD1 4Å; F433-L440 HydrophobicContact CD2-CD1 4.05Å; F433-L440 HydrophobicContact CE1-CB 4.28Å; F433-L440 HydrophobicContact CE1-CD1 4.1Å; F433-L440 HydrophobicContact CE1-CD2 4.31Å; F433-L440 HydrophobicContact CE1-CG 4.48Å; F433-L440 HydrophobicContact CE2-CD1 4.14Å; F433-L440 HydrophobicContact CG-CD1 3.99Å; F433-L440 HydrophobicContact CZ-CD1 4.17Å; F433-L440 HydrophobicContact CZ-CD2 4.39Å; L440-I466 HydrophobicContact CB-CB 4.34Å; L440-I466 PolarHBondContact N-O 3.15Å; L440-I466 WeakPolarHBondContact O-CB 3.28Å; L440-I466 PolarHBondContact O-N 2.93Å; L440-L468 HydrophobicContact CB-CD1 4.04Å; L440-L468 HydrophobicContact CB-CG 4.41Å |
| 441 | V | 96.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 122.3 | 179.8 | -168.4 | 0 | 0 | 0 | 0 | 109.6 | L156 I158 I165 L431 K432 F439 I463 I465 | L156-V441 HydrophobicContact CD1-CB 4.32Å; L156-V441 HydrophobicContact CD1-CG1 3.64Å; I158-V441 HydrophobicContact CD1-CB 4.13Å; I158-V441 HydrophobicContact CD1-CG2 3.51Å; I158-V441 HydrophobicContact CG1-CG2 4.04Å; I165-V441 HydrophobicContact CD1-CB 4.48Å; I165-V441 HydrophobicContact CD1-CG1 3.85Å; I165-V441 HydrophobicContact CD1-CG2 3.74Å; I165-V441 HydrophobicContact CG1-CG2 4.3Å; I165-V441 HydrophobicContact CG2-CG1 4.35Å; L431-V441 WeakPolarHBondContact CA-O 3.2Å; K432-V441 PolarHBondContact N-O 3.43Å; K432-V441 PolarHBondContact O-N 2.95Å; F439-V441 HydrophobicContact CD2-CG2 3.55Å; F439-V441 HydrophobicContact CE2-CG2 3.56Å; V441-I463 HydrophobicContact CG1-CG2 3.23Å; V441-I465 HydrophobicContact CG1-CG1 4.46Å |
| 442 | A | 96.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 127.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V404 V424 I428 L431 V444 I463 Y464 I466 | V404-A442 HydrophobicContact CG2-CB 4.35Å; V424-A442 HydrophobicContact CG1-CB 4.42Å; I428-A442 HydrophobicContact CG2-CB 4.3Å; L431-A442 HydrophobicContact CD2-CB 3.59Å; A442-V444 HydrophobicContact CB-CG2 4.23Å; A442-I463 WeakPolarHBondContact O-CA 3.49Å; A442-Y464 PolarHBondContact N-O 2.98Å; A442-Y464 PolarHBondContact O-N 3.49Å; A442-I466 HydrophobicContact CB-CD1 4.31Å |
| 443 | G | 95.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 107.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | L156 N429 S430 | L156-G443 VanDerWaalsContact CD1-CA 3.44Å; N429-G443 PolarHBondContact N-O 2.84Å; S430-G443 PolarHBondContact N-O 2.94Å; S430-G443 PolarHBondContact O-N 2.94Å |
| 444 | V | 95.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 140.5 | -163.3 | -175.5 | 0 | 0 | 0 | 0 | 111.7 | V424 S425 F427 I428 A442 N461 G462 Y464 | V424-V444 HydrophobicContact CG1-CG2 3.5Å; V424-V444 VanDerWaalsContact CG1-CG2 3.5Å; S425-V444 WeakPolarHBondContact O-CG1 3.34Å; F427-V444 WeakPolarHBondContact O-CA 3.46Å; I428-V444 HydrophobicContact CG1-CG2 4.43Å; A442-V444 HydrophobicContact CB-CG2 4.23Å; V444-N461 WeakPolarHBondContact O-CA 3.44Å; V444-G462 PolarHBondContact N-O 2.89Å; V444-G462 PolarHBondContact O-N 2.79Å; V444-G462 VanDerWaalsContact O-N 3.13Å; V444-Y464 HydrophobicContact CB-CD2 3.83Å; V444-Y464 HydrophobicContact CB-CE2 3.66Å; V444-Y464 HydrophobicContact CG1-CE2 4.07Å; V444-Y464 HydrophobicContact CG2-CD2 3.41Å; V444-Y464 VanDerWaalsContact CG2-CD2 3.41Å; V444-Y464 HydrophobicContact CG2-CE2 3.72Å; V444-Y464 HydrophobicContact CG2-CG 4.28Å |
| 445 | G | 93.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 166.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | F427 E447 N461 | F427-G445 PolarHBondContact N-O 2.84Å; F427-G445 PolarHBondContact O-N 2.94Å; G445-E447 PolarHBondContact O-N 3.3Å; G445-N461 WeakPolarHBondContact CA-OD1 3.28Å |
| 446 | Q | 93.7 | Very high | 91.4 | Very high | 34 Ų | 34 | 47 Ų | 47 | 16% | 0.159 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -72.8 | -14.8 | 168.8 | -70.9 | -169.7 | -16.8 | 0 | 0 | 113.8 | R455 L456 A459 N461 | Q446-R455 HydrophobicContact CB-CG 4.14Å; Q446-R455 CarbonylContact O-C 3.58Å; Q446-R455 VanDerWaalsContact O-CA 3.25Å; Q446-R455 WeakPolarHBondContact O-CA 3.32Å; Q446-R455 VanDerWaalsContact OE1-CZ 3.31Å; Q446-L456 WeakPolarHBondContact CB-O 3.35Å; Q446-L456 WeakPolarHBondContact CG-O 3.29Å; Q446-L456 PolarHBondContact O-N 3.1Å; Q446-A459 HydrophobicContact CG-CB 4.17Å; Q446-A459 VanDerWaalsContact CG-O 3.24Å; Q446-A459 WeakPolarHBondContact CG-O 3.29Å; Q446-A459 PolarHBondContact NE2-O 3.42Å; Q446-N461 PolarHBondContact N-OD1 2.82Å |
| 447 | E | 93.6 | Very high | 91.4 | Very high | 23 Ų | 23 | 53.3 Ų | 53.3 | 11% | 0.107 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -155.4 | 161.8 | -173.2 | 53.5 | 176.8 | -115.3 | 0 | 0 | 109.8 | P152 K170 N429 G445 R452 W454 | P152-E447 HydrophobicContact CB-CG 4.27Å; P152-E447 HydrophobicContact CG-CG 3.38Å; K170-E447 IonicContact NZ-OE1 3.97Å; K170-E447 PolarHBondContact NZ-OE1 2.98Å; N429-E447 PolarHBondContact ND2-O 2.86Å; G445-E447 PolarHBondContact O-N 3.3Å; E447-R452 WeakPolarHBondContact OE2-CD 3.29Å; E447-R452 VanDerWaalsContact OE2-CG 3.25Å; E447-R452 WeakPolarHBondContact OE2-CG 3.27Å; E447-R452 IonicContact OE2-NE 3.09Å; E447-W454 VanDerWaalsContact CB-O 3.32Å; E447-W454 WeakPolarHBondContact CB-O 3.21Å |
| 448 | H | 92.6 | Very high | 91.4 | Very high | 3 Ų | 3 | 61.5 Ų | 61.5 | 1% | 0.014 | 27% | 0.266 | C | S | . | . | trans | -66.5 | 153.4 | -173.1 | -170.8 | -119.4 | 0 | 0 | 0 | 114.1 | K170 W382 F427 N429 L450 G451 W453 | K170-H448 WeakPolarHBondContact CE-O 3.21Å; K170-H448 PolarHBondContact NZ-O 3.04Å; W382-H448 AromaticContact CH2-CE1 3.41Å; W382-H448 VanDerWaalsContact CH2-CE1 3.41Å; W382-H448 WeakPolarHBondContact CH2-CE1 3.46Å; W382-H448 AromaticContact CH2-CG 3.97Å; W382-H448 AromaticContact CH2-ND1 3.31Å; W382-H448 VanDerWaalsContact CH2-ND1 3.31Å; W382-H448 WeakPolarHBondContact CH2-ND1 3.44Å; W382-H448 AromaticContact CZ2-CE1 3.31Å; W382-H448 WeakPolarHBondContact CZ2-CE1 3.49Å; W382-H448 AromaticContact CZ2-ND1 3.75Å; W382-H448 AromaticContact CZ2-NE2 3.88Å; W382-H448 AromaticContact CZ3-ND1 3.86Å; F427-H448 HydrophobicContact CD1-CB 3.86Å; F427-H448 HydrophobicContact CE1-CB 4.02Å; N429-H448 VanDerWaalsContact OD1-CA 3.3Å; N429-H448 WeakPolarHBondContact OD1-CA 3.36Å; N429-H448 PolarHBondContact OD1-CD2 3.28Å; H448-L450 VanDerWaalsContact C-N 3.34Å; H448-L450 PolarHBondContact O-N 3.3Å; H448-G451 PolarHBondContact O-N 3.03Å; H448-W453 HydrophobicContact CB-CE3 4.38Å; H448-W453 HydrophobicContact CB-CZ3 4.46Å; H448-W453 AromaticContact ND1-CZ3 3.63Å | ||
| 449 | R | 90.4 | Very high | 91.4 | Very high | 25 Ų | 25 | 55.4 Ų | 55.4 | 9% | 0.094 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -40.6 | -176.9 | 68.1 | -171.5 | -178.8 | 111.7 | 2.1 | 114 | T154 K170 T291 D332 N429 | T154-R449 HydrophobicContact CG2-CB 4.22Å; K170-R449 VanDerWaalsContact CE-O 3.26Å; K170-R449 WeakPolarHBondContact CE-O 3.44Å; T291-R449 PolarHBondContact O-NH2 3.48Å; D332-R449 PolarHBondContact O-NH2 2.93Å; N429-R449 HydrophobicContact CB-CB 4.07Å; N429-R449 PolarHBondContact ND2-N 2.79Å; N429-R449 PolarHBondContact OD1-N 2.85Å |
| 450 | L | 86.6 | Confident | 91.2 | Very high | 56 Ų | 56 | 60 Ų | 60 | 29% | 0.293 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -21.4 | -174.5 | -59.3 | -179.8 | 0 | 0 | 0 | 114.9 | H448 W453 | H448-L450 VanDerWaalsContact C-N 3.34Å; H448-L450 PolarHBondContact O-N 3.3Å; L450-W453 HydrophobicContact CB-CH2 3.81Å; L450-W453 HydrophobicContact CB-CZ3 4Å |
| 451 | G | 87.2 | Confident | 91.1 | Very high | 16 Ų | 16 | 61.1 Ų | 61.1 | 17% | 0.165 | 26% | 0.264 | C | S | . | . | trans | -172.1 | 179.9 | -167.2 | 0 | 0 | 0 | 0 | 0 | 114 | K170 H448 | K170-G451 PolarHBondContact NZ-O 2.96Å; K170-G451 VanDerWaalsContact NZ-O 3.09Å; H448-G451 PolarHBondContact O-N 3.03Å | ||
| 452 | R | 88.6 | Confident | 90.9 | Very high | 170 Ų | 170 | 61.2 Ų | 61.2 | 64% | 0.642 | 27% | 0.265 | S | S | * | . | trans | -121.1 | 65 | 179.2 | -173.1 | -179.9 | 163.4 | -176.4 | -11.9 | 110.3 | E447 | E447-R452 WeakPolarHBondContact OE2-CD 3.29Å; E447-R452 VanDerWaalsContact OE2-CG 3.25Å; E447-R452 WeakPolarHBondContact OE2-CG 3.27Å; E447-R452 IonicContact OE2-NE 3.09Å | ||
| 453 | W | 90.1 | Very high | 90.9 | Very high | 154 Ų | 154 | 61.2 Ų | 61.2 | 58% | 0.583 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -77.3 | -44.5 | 174.2 | -60.5 | -69.2 | 0 | 0 | 0 | 111.5 | W382 H448 L450 | W382-W453 HydrophobicContact CH2-CE3 4.08Å; W382-W453 HydrophobicContact CH2-CH2 4.47Å; W382-W453 AromaticContact CH2-CZ3 3.68Å; W382-W453 HydrophobicContact CH2-CZ3 3.68Å; W382-W453 AromaticContact CZ3-CE3 3.99Å; W382-W453 HydrophobicContact CZ3-CE3 3.99Å; W382-W453 HydrophobicContact CZ3-CZ3 4.07Å; H448-W453 HydrophobicContact CB-CE3 4.38Å; H448-W453 HydrophobicContact CB-CZ3 4.46Å; H448-W453 AromaticContact ND1-CZ3 3.63Å; L450-W453 HydrophobicContact CB-CH2 3.81Å; L450-W453 HydrophobicContact CB-CZ3 4Å |
| 454 | W | 88.1 | Confident | 90.8 | Very high | 120 Ų | 120 | 61.9 Ų | 61.9 | 46% | 0.455 | 27% | 0.267 | S | S | . | . | trans | -127.4 | 159.9 | 174.6 | -58 | -58.7 | 0 | 0 | 0 | 110.6 | W382 F427 E447 | W382-W454 HydrophobicContact CE3-CZ3 4.08Å; W382-W454 HydrophobicContact CZ3-CZ3 4.5Å; F427-W454 HydrophobicContact CE1-CE3 4.38Å; F427-W454 HydrophobicContact CE2-CB 4.32Å; F427-W454 HydrophobicContact CZ-CB 3.93Å; F427-W454 HydrophobicContact CZ-CE3 4.08Å; E447-W454 VanDerWaalsContact CB-O 3.32Å; E447-W454 WeakPolarHBondContact CB-O 3.21Å | ||
| 455 | R | 90.2 | Very high | 90.8 | Very high | 129 Ų | 129 | 62.5 Ų | 62.5 | 49% | 0.487 | 27% | 0.271 | S | S | . | . | trans | -142.1 | 111.6 | 174.9 | -172.7 | -179.2 | 176.4 | -165.6 | 1.9 | 112 | Q446 K457 | Q446-R455 HydrophobicContact CB-CG 4.14Å; Q446-R455 CarbonylContact O-C 3.58Å; Q446-R455 VanDerWaalsContact O-CA 3.25Å; Q446-R455 WeakPolarHBondContact O-CA 3.32Å; Q446-R455 VanDerWaalsContact OE1-CZ 3.31Å; R455-K457 PolarHBondContact O-N 3.3Å | ||
| 456 | L | 88.7 | Confident | 90.8 | Very high | 56 Ų | 56 | 62.5 Ų | 62.5 | 29% | 0.293 | 27% | 0.271 | S | S | . | . | trans | -76.5 | 114.7 | 170.6 | -66.2 | 170.2 | 0 | 0 | 0 | 108.9 | F427 Q446 A459 | F427-L456 HydrophobicContact CD2-CD1 3.83Å; F427-L456 HydrophobicContact CD2-CG 4.19Å; F427-L456 HydrophobicContact CE2-CD1 3.91Å; F427-L456 HydrophobicContact CE2-CG 3.92Å; Q446-L456 WeakPolarHBondContact CB-O 3.35Å; Q446-L456 WeakPolarHBondContact CG-O 3.29Å; Q446-L456 PolarHBondContact O-N 3.1Å; L456-A459 HydrophobicContact CB-CB 3.82Å | ||
| 457 | K | 86.5 | Confident | 90.8 | Very high | 185 Ų | 185 | 62.4 Ų | 62.4 | 80% | 0.804 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -74.5 | -32.1 | -178.1 | -68.6 | 177 | -178 | 170.8 | 0 | 113 | R455 | R455-K457 PolarHBondContact O-N 3.3Š|
| 458 | E | 87.8 | Confident | 90.6 | Very high | 172 Ų | 172 | 61.7 Ų | 61.7 | 80% | 0.804 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -73.2 | -31.3 | -178.4 | -69.1 | 155.3 | -148.1 | 0 | 0 | 112.5 | ||
| 459 | A | 88.5 | Confident | 90.3 | Very high | 2 Ų | 2 | 66.7 Ų | 66.7 | 2% | 0.017 | 29% | 0.291 | C | S | . | . | trans | -60.8 | 147.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S425 G426 Q446 L456 | S425-A459 WeakPolarHBondContact O-CA 3.43Å; S425-A459 WeakPolarHBondContact O-CB 3.48Å; G426-A459 VanDerWaalsContact CA-CB 3.44Å; Q446-A459 HydrophobicContact CG-CB 4.17Å; Q446-A459 VanDerWaalsContact CG-O 3.24Å; Q446-A459 WeakPolarHBondContact CG-O 3.29Å; Q446-A459 PolarHBondContact NE2-O 3.42Å; L456-A459 HydrophobicContact CB-CB 3.82Å | ||
| 460 | K | 89.4 | Confident | 90.1 | Very high | 114 Ų | 114 | 70.4 Ų | 70.4 | 50% | 0.496 | 31% | 0.305 | S | S | . | . | trans | -126.2 | 121 | -178.5 | -70.1 | 166.9 | -171.5 | 166.3 | 0 | 109.3 | G462 | K460-G462 PolarHBondContact O-N 2.95Š| ||
| 461 | N | 92.8 | Very high | 89.8 | Confident | 25 Ų | 25 | 73.1 Ų | 73.1 | 13% | 0.134 | 32% | 0.315 | C | S | . | . | trans | -56 | 122.2 | 178.5 | -58.7 | -28.8 | 0 | 0 | 0 | 109.6 | K150 L151 V444 G445 Q446 | K150-N461 PolarHBondContact O-ND2 3.19Å; L151-N461 VanDerWaalsContact C-ND2 3.32Å; V444-N461 WeakPolarHBondContact O-CA 3.44Å; G445-N461 WeakPolarHBondContact CA-OD1 3.28Å; Q446-N461 PolarHBondContact N-OD1 2.82Å | ||
| 462 | G | 93.2 | Very high | 88.9 | Confident | 1 Ų | 1 | 76.3 Ų | 76.3 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.5 | 168.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L146 I153 V444 K460 | L146-G462 CarbonylContact O-C 3.19Å; L146-G462 VanDerWaalsContact O-CA 3.23Å; L146-G462 WeakPolarHBondContact O-CA 3.36Å; I153-G462 VanDerWaalsContact CD1-C 3.41Å; I153-G462 WeakPolarHBondContact CD1-O 3.28Å; V444-G462 PolarHBondContact N-O 2.89Å; V444-G462 PolarHBondContact O-N 2.79Å; V444-G462 VanDerWaalsContact O-N 3.13Å; K460-G462 PolarHBondContact O-N 2.95Å |
| 463 | I | 95.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 136.3 | 175 | -49.2 | 176.5 | 0 | 0 | 0 | 107.8 | V145 L146 I153 L156 I165 W177 V441 A442 I465 | V145-I463 CarbonylContact C-O 3.58Å; V145-I463 WeakPolarHBondContact CA-O 3.44Å; L146-I463 HydrophobicContact CB-CB 4.22Å; L146-I463 PolarHBondContact N-O 2.58Å; L146-I463 PolarHBondContact O-N 3Å; I153-I463 HydrophobicContact CD1-CB 4.49Å; I153-I463 HydrophobicContact CD1-CD1 4.49Å; I153-I463 HydrophobicContact CD1-CG1 3.46Å; I153-I463 VanDerWaalsContact CD1-CG1 3.46Å; L156-I463 HydrophobicContact CD1-CG2 4.34Å; L156-I463 HydrophobicContact CD2-CD1 4.17Å; L156-I463 HydrophobicContact CD2-CG1 4.19Å; I165-I463 HydrophobicContact CG2-CD1 4.12Å; W177-I463 HydrophobicContact CD2-CD1 4.28Å; W177-I463 HydrophobicContact CG-CD1 4.1Å; W177-I463 HydrophobicContact CZ2-CD1 4.43Å; W177-I463 VanDerWaalsContact NE1-CD1 3.28Å; V441-I463 HydrophobicContact CG1-CG2 3.23Å; A442-I463 WeakPolarHBondContact O-CA 3.49Å; I463-I465 HydrophobicContact CG2-CG1 4.4Å |
| 464 | Y | 94.8 | Very high | 85.3 | Confident | 14 Ų | 14 | 70.2 Ų | 70.2 | 6% | 0.055 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 113.6 | 174.1 | -65.8 | -113.3 | 0 | 0 | 0 | 107 | I143 V145 V424 A442 V444 | I143-Y464 HydrophobicContact CG2-CD1 4.05Å; V145-Y464 HydrophobicContact CB-CD1 4.42Å; V145-Y464 HydrophobicContact CB-CE1 4.31Å; V145-Y464 HydrophobicContact CG1-CD1 4.19Å; V145-Y464 HydrophobicContact CG1-CD2 4.35Å; V145-Y464 HydrophobicContact CG1-CE1 3.8Å; V145-Y464 HydrophobicContact CG1-CE2 3.97Å; V145-Y464 HydrophobicContact CG1-CG 4.43Å; V145-Y464 HydrophobicContact CG2-CD1 3.55Å; V145-Y464 HydrophobicContact CG2-CE1 3.51Å; V145-Y464 HydrophobicContact CG2-CG 4.33Å; V424-Y464 HydrophobicContact CG1-CD1 4.1Å; V424-Y464 HydrophobicContact CG1-CD2 4.18Å; V424-Y464 HydrophobicContact CG1-CG 3.94Å; A442-Y464 PolarHBondContact N-O 2.98Å; A442-Y464 PolarHBondContact O-N 3.49Å; V444-Y464 HydrophobicContact CB-CD2 3.83Å; V444-Y464 HydrophobicContact CB-CE2 3.66Å; V444-Y464 HydrophobicContact CG1-CE2 4.07Å; V444-Y464 HydrophobicContact CG2-CD2 3.41Å; V444-Y464 VanDerWaalsContact CG2-CD2 3.41Å; V444-Y464 HydrophobicContact CG2-CE2 3.72Å; V444-Y464 HydrophobicContact CG2-CG 4.28Å |
| 465 | I | 95.1 | Very high | 83.4 | Confident | 14 Ų | 14 | 69.4 Ų | 69.4 | 7% | 0.072 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 114.6 | 173.9 | -57 | 173.4 | 0 | 0 | 0 | 106.8 | I143 R144 L146 I165 F439 V441 I463 | I143-I465 WeakPolarHBondContact CA-O 3.31Å; R144-I465 HydrophobicContact CB-CB 4.36Å; R144-I465 PolarHBondContact N-O 3.18Å; R144-I465 PolarHBondContact O-N 3.38Å; L146-I465 HydrophobicContact CD1-CD1 3.79Å; L146-I465 HydrophobicContact CG-CD1 4.26Å; I165-I465 HydrophobicContact CD1-CD1 3.62Å; I165-I465 HydrophobicContact CD1-CG1 3.85Å; F439-I465 HydrophobicContact CB-CG2 4.3Å; F439-I465 HydrophobicContact CD2-CG2 4.03Å; F439-I465 HydrophobicContact CG-CG2 4.3Å; V441-I465 HydrophobicContact CG1-CG1 4.46Å; I463-I465 HydrophobicContact CG2-CG1 4.4Å |
| 466 | I | 94.3 | Very high | 81.3 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 108.9 | -174.7 | -58.3 | 164.8 | 0 | 0 | 0 | 106.8 | P138 I143 V404 V422 V424 F439 L440 A442 | P138-I466 HydrophobicContact CB-CG2 4.2Å; P138-I466 HydrophobicContact CG-CG2 3.51Å; I143-I466 HydrophobicContact CG1-CG1 4.49Å; I143-I466 HydrophobicContact CG2-CG1 3.98Å; V404-I466 HydrophobicContact CG2-CD1 4.37Å; V422-I466 HydrophobicContact CG1-CD1 4.19Å; V422-I466 HydrophobicContact CG1-CG1 4.43Å; V422-I466 HydrophobicContact CG1-CG2 4.09Å; V422-I466 HydrophobicContact CG2-CG2 4.36Å; V424-I466 HydrophobicContact CG2-CD1 4.03Å; F439-I466 CarbonylContact C-O 3.58Å; F439-I466 VanDerWaalsContact CA-O 3.31Å; F439-I466 WeakPolarHBondContact CA-O 3.44Å; F439-I466 WeakPolarHBondContact CB-O 3.43Å; L440-I466 HydrophobicContact CB-CB 4.34Å; L440-I466 PolarHBondContact N-O 3.15Å; L440-I466 WeakPolarHBondContact O-CB 3.28Å; L440-I466 PolarHBondContact O-N 2.93Å; A442-I466 HydrophobicContact CB-CD1 4.31Å |
| 467 | P | 92.4 | Very high | 79.1 | Confident | 32 Ų | 32 | 73.1 Ų | 73.1 | 21% | 0.208 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 147.7 | 177.1 | 27.2 | -32.4 | 0 | 0 | 0 | 110.8 | P138 E142 | P138-P467 HydrophobicContact CB-CG 4.39Å; P138-P467 WeakPolarHBondContact CB-O 3.48Å; E142-P467 HydrophobicContact CB-CG 3.75Å |
| 468 | L | 90.1 | Very high | 76.9 | Confident | 8 Ų | 8 | 66.5 Ų | 66.5 | 4% | 0.042 | 35% | 0.345 | C | S | . | . | trans | -122.2 | 79.2 | 178.8 | -67.1 | 178 | 0 | 0 | 0 | 109.4 | L135 F420 F433 Q438 L440 | L135-L468 HydrophobicContact CD2-CB 4.14Å; F420-L468 HydrophobicContact CZ-CD2 4.37Å; F433-L468 HydrophobicContact CD1-CD1 3.68Å; F433-L468 HydrophobicContact CE1-CD1 3.65Å; Q438-L468 PolarHBondContact O-N 2.72Å; L440-L468 HydrophobicContact CB-CD1 4.04Å; L440-L468 HydrophobicContact CB-CG 4.41Å | ||
| 469 | K | 87.1 | Confident | 74.7 | Confident | 107 Ų | 107 | 66.8 Ų | 66.8 | 47% | 0.465 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 136.2 | 176.3 | -69.2 | 176.9 | 174.3 | 173.6 | 0 | 110.1 | L136 E142 | L136-K469 HydrophobicContact CB-CB 4.5Å; L136-K469 HydrophobicContact CD1-CB 4.45Å; L136-K469 PolarHBondContact N-O 3.05Å; E142-K469 IonicContact OE1-NZ 2.74Å; E142-K469 PolarHBondContact OE1-NZ 3.38Å; E142-K469 WeakPolarHBondContact OE2-CE 3.01Å; E142-K469 IonicContact OE2-NZ 2.61Å; E142-K469 PolarHBondContact OE2-NZ 3.46Å |
| 470 | R | 85.9 | Confident | 72.4 | Confident | 103 Ų | 103 | 75.1 Ų | 75.1 | 39% | 0.389 | 38% | 0.382 | S | S | . | . | B | Isolated β-bridge | trans | -102 | 147.1 | 170.8 | -60.8 | 175.8 | -164.1 | 168.1 | 8.7 | 108.8 | I131 D134 L135 S436 G437 | I131-R470 HydrophobicContact CG2-CG 4.37Å; D134-R470 CarbonylContact O-C 3.51Å; D134-R470 WeakPolarHBondContact O-CA 3.39Å; L135-R470 HydrophobicContact CD2-CG 4.11Å; S436-R470 PolarHBondContact O-NH2 2.77Å; G437-R470 PolarHBondContact O-NH2 2.7Å |
| 471 | K | 79.4 | Confident | 69.9 | Low | 113 Ų | 113 | 75.5 Ų | 75.5 | 49% | 0.491 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 140.4 | 161.8 | -65.1 | 173.2 | -174.8 | 168.8 | 0 | 108.5 | D134 L136 S473 | D134-K471 PolarHBondContact O-N 2.92Å; L136-K471 HydrophobicContact CD1-CG 4.26Å; L136-K471 HydrophobicContact CD2-CD 4.4Å; L136-K471 HydrophobicContact CD2-CG 3.97Å; L136-K471 HydrophobicContact CG-CG 4.04Å; K471-S473 PolarHBondContact O-N 3.16Å |
| 472 | P | 69.3 | Low | 67.2 | Low | 83 Ų | 83 | 86.2 Ų | 86.2 | 54% | 0.539 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 134 | 167.9 | 27.6 | -33.1 | 0 | 0 | 0 | 108.7 | N474 | P472-N474 PolarHBondContact O-N 3.46Š|
| 473 | S | 55.3 | Low | 65.9 | Low | 116 Ų | 116 | 90.5 Ų | 90.5 | 81% | 0.811 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -71.7 | -17.5 | 179.1 | 45.2 | 0 | 0 | 0 | 0 | 112.7 | K471 | K471-S473 PolarHBondContact O-N 3.16Š|
| 474 | N | 48 | Very low | 64.4 | Low | 80 Ų | 80 | 95.2 Ų | 95.2 | 43% | 0.428 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -131.9 | 125.7 | -177.5 | -148.8 | 11.7 | 0 | 0 | 0 | 110.3 | P472 E476 | P472-N474 PolarHBondContact O-N 3.46Å; N474-E476 PolarHBondContact O-N 3.46Å; N474-E476 VanDerWaalsContact O-N 3.17Å |
| 475 | P | 48.1 | Very low | 62.7 | Low | 104 Ų | 104 | 99.7 Ų | 99.7 | 68% | 0.675 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -4.2 | -174.5 | 29.5 | -36.1 | 0 | 0 | 0 | 114.6 | ||
| 476 | E | 46.1 | Very low | 60.8 | Low | 146 Ų | 146 | 104.8 Ų | 104.8 | 68% | 0.682 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -32.8 | 179.5 | -59.1 | -164.3 | 132.2 | 0 | 0 | 113.1 | N474 A478 K479 | N474-E476 PolarHBondContact O-N 3.46Å; N474-E476 VanDerWaalsContact O-N 3.17Å; E476-A478 PolarHBondContact O-N 3.06Å; E476-K479 PolarHBondContact O-N 3.15Å; E476-K479 VanDerWaalsContact O-N 3.15Å |
| 477 | E | 41.8 | Very low | 58.7 | Low | 117 Ų | 117 | 111.3 Ų | 111.3 | 55% | 0.547 | 57% | 0.573 | S | S | . | * | G | 310 helix | trans | -63.8 | -30.2 | 176.9 | -64.5 | -176.9 | 140.2 | 0 | 0 | 112.1 | K479 Q480 | E477-K479 PolarHBondContact O-N 3.49Å; E477-K479 VanDerWaalsContact O-N 3.1Å; E477-Q480 PolarHBondContact O-N 3.18Å; E477-Q480 VanDerWaalsContact O-N 3.11Å |
| 478 | A | 40.8 | Very low | 56.5 | Low | 45 Ų | 45 | 116.6 Ų | 116.6 | 37% | 0.372 | 60% | 0.597 | S | S | . | * | G | 310 helix | trans | -59.6 | -21.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E476 | E476-A478 PolarHBondContact O-N 3.06Š|
| 479 | K | 41 | Very low | 54.1 | Low | 179 Ų | 179 | 124.4 Ų | 124.4 | 78% | 0.778 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -85.5 | -0.1 | 178.6 | -70.9 | -178.4 | 174 | 175.5 | 0 | 114.8 | E476 E477 | E476-K479 PolarHBondContact O-N 3.15Å; E476-K479 VanDerWaalsContact O-N 3.15Å; E477-K479 PolarHBondContact O-N 3.49Å; E477-K479 VanDerWaalsContact O-N 3.1Å |
| 480 | Q | 40.1 | Very low | 51.5 | Low | 176 Ų | 176 | 125.7 Ų | 125.7 | 82% | 0.822 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -108.1 | 10 | 176.9 | -61 | -170.1 | 8.4 | 0 | 0 | 113.2 | E477 | E477-Q480 PolarHBondContact O-N 3.18Å; E477-Q480 VanDerWaalsContact O-N 3.11Å |
| 481 | T | 38.2 | Very low | 48.7 | Very low | 123 Ų | 123 | 127.6 Ų | 127.6 | 76% | 0.755 | 67% | 0.672 | S | S | * | * | trans | -134.7 | 19.5 | -175.1 | 43.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 482 | E | 36 | Very low | 45.9 | Very low | 249 Ų | 249 | 128.9 Ų | 128.9 | 100% | 1.164 | 69% | 0.688 | S | S | * | * | trans | -99.5 | 0 | 164.3 | -66.6 | -168.8 | 141 | 0 | 0 | 111.3 |
Retrieved 482 of 482 residues in 731.1 ms
(Link to these results)