| 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 | 45.2 | Very low | 57.1 | Low | 234 Ų | 234 | 158.5 Ų | 158.5 | 100% | 1.153 | 89% | 0.885 | S | S | * | * | 0 | 162.2 | 0 | -76 | -178.6 | 171 | 0 | 0 | 108.5 | |||||
| 2 | T | 56.8 | Low | 57.6 | Low | 148 Ų | 148 | 156.1 Ų | 156.1 | 91% | 0.908 | 88% | 0.881 | S | S | * | * | trans | 59.6 | 149.3 | -157.6 | 70.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 3 | L | 58.5 | Low | 57.8 | Low | 171 Ų | 171 | 151.2 Ų | 151.2 | 90% | 0.895 | 86% | 0.863 | S | S | * | * | trans | -137.2 | 133.8 | -161.5 | -77.6 | 162.3 | 0 | 0 | 0 | 110.9 | ||||
| 4 | N | 51.9 | Low | 57.9 | Low | 169 Ų | 169 | 150.4 Ų | 150.4 | 90% | 0.904 | 86% | 0.855 | S | S | * | * | trans | -70.6 | 143.4 | 161.6 | -77.6 | -6 | 0 | 0 | 0 | 109.6 | ||||
| 5 | R | 68.9 | Low | 58 | Low | 238 Ų | 238 | 150.3 Ų | 150.3 | 90% | 0.898 | 85% | 0.851 | S | S | * | * | trans | -129.8 | 120.6 | 173 | -147.1 | 175.3 | -162.3 | -108.3 | 3.7 | 109.9 | ||||
| 6 | P | 58.5 | Low | 57.9 | Low | 121 Ų | 121 | 147.3 Ų | 147.3 | 79% | 0.786 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 167.5 | -177.6 | 33.4 | -35.3 | 0 | 0 | 0 | 113 | ||
| 7 | K | 55.6 | Low | 57.9 | Low | 197 Ų | 197 | 144.2 Ų | 144.2 | 86% | 0.857 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 137 | 178.8 | 178.2 | -175.1 | -179.9 | -175.1 | 0 | 111.4 | ||
| 8 | P | 64.5 | Low | 57.9 | Low | 119 Ų | 119 | 144.3 Ų | 144.3 | 77% | 0.773 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 162.8 | 166 | 36.6 | -31.9 | 0 | 0 | 0 | 112.7 | ||
| 9 | S | 50 | Low | 57.9 | Low | 121 Ų | 121 | 140.4 Ų | 140.4 | 85% | 0.846 | 84% | 0.836 | S | S | * | * | trans | -134.5 | 144.2 | 171.6 | 51.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 10 | A | 66.2 | Low | 57.8 | Low | 107 Ų | 107 | 140.6 Ų | 140.6 | 88% | 0.884 | 83% | 0.832 | S | S | * | * | trans | -142.6 | 158.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 11 | S | 51.6 | Low | 58.2 | Low | 119 Ų | 119 | 142.7 Ų | 142.7 | 83% | 0.832 | 84% | 0.836 | S | S | * | * | trans | -135.2 | 167.7 | -169.6 | 50.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 12 | P | 63.4 | Low | 58.8 | Low | 129 Ų | 129 | 138.8 Ų | 138.8 | 84% | 0.838 | 82% | 0.82 | S | S | * | * | trans | -104.1 | 168.5 | -156.8 | 39.8 | -36.6 | 0 | 0 | 0 | 115.8 | ||||
| 13 | S | 60.1 | Low | 59 | Low | 92 Ų | 92 | 135.8 Ų | 135.8 | 64% | 0.643 | 81% | 0.805 | S | S | * | * | trans | -162.9 | 160.8 | 159.9 | 69.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 14 | D | 59 | Low | 58.5 | Low | 141 Ų | 141 | 135.2 Ų | 135.2 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | trans | 65.8 | 149.5 | 149.4 | -43.9 | -29.2 | 0 | 0 | 0 | 120.1 | ||||
| 15 | D | 59.4 | Low | 58.3 | Low | 148 Ų | 148 | 130.4 Ų | 130.4 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | cis | -157.7 | -159.9 | -17.9 | -143.2 | -51.8 | 0 | 0 | 0 | 112.2 | ||||
| 16 | S | 56.2 | Low | 57.3 | Low | 103 Ų | 103 | 125.1 Ų | 125.1 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | trans | -110.2 | 157.3 | -155.9 | 52.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 17 | A | 58.1 | Low | 56.8 | Low | 94 Ų | 94 | 124.1 Ų | 124.1 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | trans | 174.3 | 126.2 | 153.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 18 | V | 58.3 | Low | 56.2 | Low | 146 Ų | 146 | 120.2 Ų | 120.2 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | 88.8 | 127.4 | 54.4 | 174.4 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 19 | G | 58.6 | Low | 55.2 | Low | 71 Ų | 71 | 120.7 Ų | 120.7 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | trans | 168.1 | 137.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 20 | D | 54.4 | Low | 55 | Low | 144 Ų | 144 | 119.5 Ų | 119.5 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | -128 | 172.4 | -159.3 | -66.6 | -80 | 0 | 0 | 0 | 117.7 | ||||
| 21 | M | 67.7 | Low | 54.3 | Low | 185 Ų | 185 | 120 Ų | 120 | 91% | 0.911 | 77% | 0.765 | S | S | * | * | trans | 78.4 | 150.2 | 161.5 | -51 | -158 | -177.9 | 0 | 0 | 117.8 | ||||
| 22 | N | 58 | Low | 54.4 | Low | 151 Ų | 151 | 118.8 Ų | 118.8 | 81% | 0.807 | 76% | 0.757 | S | S | * | * | cis | -146.5 | -162 | 32.8 | -164.3 | 5.8 | 0 | 0 | 0 | 114.3 | ||||
| 23 | S | 59.7 | Low | 53.6 | Low | 85 Ų | 85 | 120.6 Ų | 120.6 | 59% | 0.594 | 76% | 0.76 | S | S | * | * | trans | -134 | -170.3 | -143.5 | 62.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 24 | N | 48.6 | Very low | 52.9 | Low | 160 Ų | 160 | 120 Ų | 120 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | trans | 85.1 | 143.8 | 179.2 | -51.6 | -34 | 0 | 0 | 0 | 115.6 | ||||
| 25 | G | 48.6 | Very low | 52.1 | Low | 68 Ų | 68 | 122.9 Ų | 122.9 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | cis | 129.2 | 141.3 | 7.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 26 | T | 46.8 | Very low | 51.3 | Low | 127 Ų | 127 | 121 Ų | 121 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | cis | -167.2 | 153 | 6.2 | -47.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 27 | S | 47.4 | Very low | 50.6 | Low | 100 Ų | 100 | 124 Ų | 124 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | trans | 59.6 | 154.7 | 152 | 51.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 28 | T | 43.5 | Very low | 50.2 | Low | 115 Ų | 115 | 125.4 Ų | 125.4 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | cis | -170 | 160.8 | -15.3 | 27 | 0 | 0 | 0 | 0 | 110 | ||||
| 29 | T | 44.5 | Very low | 49.8 | Very low | 128 Ų | 128 | 123.9 Ų | 123.9 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | 62 | 152.5 | 151.2 | 47.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 30 | S | 45.2 | Very low | 48.8 | Very low | 97 Ų | 97 | 129.8 Ų | 129.8 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | cis | -176.2 | 150.9 | -19.5 | 51.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 31 | S | 50.9 | Low | 47.8 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | 68.1 | 153.4 | 158.5 | -60.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 32 | S | 54.4 | Low | 46.4 | Very low | 94 Ų | 94 | 125.9 Ų | 125.9 | 66% | 0.657 | 79% | 0.785 | S | S | * | * | cis | -168.8 | 144.6 | -15 | 47.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 33 | N | 45.9 | Very low | 45.2 | Very low | 168 Ų | 168 | 123.4 Ų | 123.4 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | trans | 57.6 | 135.9 | 148.9 | -54.4 | -2.7 | 0 | 0 | 0 | 121.2 | ||||
| 34 | G | 45.6 | Very low | 44 | Very low | 79 Ų | 79 | 125 Ų | 125 | 81% | 0.814 | 79% | 0.786 | S | S | * | * | trans | 168 | 79.5 | 170 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 35 | E | 41.8 | Very low | 43.2 | Very low | 202 Ų | 202 | 123 Ų | 123 | 94% | 0.944 | 78% | 0.78 | S | S | * | * | trans | -81.2 | 140 | 175.6 | -68.3 | 171.1 | 79.8 | 0 | 0 | 112.7 | ||||
| 36 | A | 42.5 | Very low | 42.7 | Very low | 108 Ų | 108 | 125.5 Ų | 125.5 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | trans | -161.9 | 128.2 | 149.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 37 | L | 41.5 | Very low | 42.7 | Very low | 167 Ų | 167 | 125.5 Ų | 125.5 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | -123.2 | 128.5 | 173.8 | 178.2 | 71.9 | 0 | 0 | 0 | 109 | ||||
| 38 | C | 50.1 | Low | 42.5 | Very low | 122 Ų | 122 | 129.2 Ų | 129.2 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | -152.9 | 159.6 | 168.3 | -97.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 39 | P | 51 | Low | 42.5 | Very low | 114 Ų | 114 | 129.5 Ų | 129.5 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | trans | -113.9 | -166.8 | -152.3 | 42.8 | -34.2 | 0 | 0 | 0 | 115.7 | ||||
| 40 | E | 36.4 | Very low | 42.6 | Very low | 195 Ų | 195 | 131.4 Ų | 131.4 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | trans | -48.5 | 148.9 | -177.8 | -64.6 | 170.3 | 74.9 | 0 | 0 | 116.7 | ||||
| 41 | T | 34.3 | Very low | 42.8 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | -150.8 | 145.1 | 173.1 | -26.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 42 | T | 38.3 | Very low | 42.8 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | 65.9 | 91.2 | 153.5 | 30.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 43 | S | 32.5 | Very low | 42.5 | Very low | 99 Ų | 99 | 136 Ų | 136 | 69% | 0.692 | 81% | 0.808 | S | S | * | * | trans | -33.4 | 161.3 | 133.9 | 60.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 44 | T | 34 | Very low | 42 | Very low | 118 Ų | 118 | 138 Ų | 138 | 72% | 0.724 | 80% | 0.804 | S | S | * | * | trans | 96.1 | 114 | 140.3 | -57 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 45 | T | 32.7 | Very low | 41.8 | Very low | 119 Ų | 119 | 139.6 Ų | 139.6 | 73% | 0.73 | 80% | 0.798 | S | S | * | * | trans | 68.7 | 139.4 | 150.3 | -59.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 46 | T | 37.3 | Very low | 41.7 | Very low | 120 Ų | 120 | 138.5 Ų | 138.5 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | cis | -117 | -145.1 | 17.4 | -21.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 47 | T | 46.8 | Very low | 41.9 | Very low | 128 Ų | 128 | 140.8 Ų | 140.8 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | cis | -148.8 | 175.8 | 10.9 | -29.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 48 | E | 43.8 | Very low | 41.8 | Very low | 178 Ų | 178 | 136.7 Ų | 136.7 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -70.9 | 141.4 | -171.7 | -63.4 | 161.4 | 168.4 | 0 | 0 | 117.2 | ||||
| 49 | S | 43.3 | Very low | 41.6 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | -161.2 | 145.9 | 113 | 11.2 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 50 | L | 46.9 | Very low | 41.2 | Very low | 167 Ų | 167 | 139 Ų | 139 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | -90.2 | 163.1 | 176.5 | -64.4 | 162.8 | 0 | 0 | 0 | 108.8 | ||||
| 51 | T | 49.8 | Very low | 41.2 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | cis | -159 | 161.4 | 47.3 | 43.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 52 | E | 50.3 | Low | 41.3 | Very low | 174 Ų | 174 | 143.3 Ų | 143.3 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | 56.3 | 138.1 | 143.9 | -70.9 | 156.1 | -129.2 | 0 | 0 | 121.2 | ||||
| 53 | S | 48.3 | Very low | 41.3 | Very low | 123 Ų | 123 | 145.7 Ų | 145.7 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | cis | -156.7 | 177.3 | -1.3 | 54.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 54 | Y | 35.5 | Very low | 41.4 | Very low | 212 Ų | 212 | 147.1 Ų | 147.1 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | trans | -134.2 | 154 | -161.6 | -176.7 | -110.9 | 0 | 0 | 0 | 114.4 | ||||
| 55 | T | 40.2 | Very low | 41.7 | Very low | 112 Ų | 112 | 146.3 Ų | 146.3 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | trans | 68.8 | 159.2 | -173.5 | 76.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 56 | K | 40.5 | Very low | 42.2 | Very low | 179 Ų | 179 | 147.5 Ų | 147.5 | 78% | 0.778 | 79% | 0.785 | S | S | * | * | cis | -158.5 | 167.2 | 21.5 | -153.4 | 176.4 | -176.2 | 174.9 | 0 | 111.7 | ||||
| 57 | L | 46.8 | Very low | 42.2 | Very low | 155 Ų | 155 | 147.6 Ų | 147.6 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | 71.6 | 119.8 | 170.8 | -55.5 | 151.3 | 0 | 0 | 0 | 114.3 | ||||
| 58 | A | 38.8 | Very low | 42.1 | Very low | 82 Ų | 82 | 147.7 Ų | 147.7 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | cis | 94.4 | 112.9 | 29.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 59 | L | 46.2 | Very low | 41.8 | Very low | 165 Ų | 165 | 147.4 Ų | 147.4 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | 46.8 | 118.6 | 146.9 | -66.7 | 153.4 | 0 | 0 | 0 | 119.4 | ||||
| 60 | T | 41.9 | Very low | 41.6 | Very low | 118 Ų | 118 | 144.5 Ų | 144.5 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | 165.9 | 112.9 | 107.9 | -72.7 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 61 | K | 36.6 | Very low | 41.4 | Very low | 188 Ų | 188 | 142.4 Ų | 142.4 | 82% | 0.817 | 75% | 0.752 | S | S | * | * | trans | 60 | 157.9 | 151.7 | -72.7 | 176.5 | 176.3 | 173 | 0 | 121.4 | ||||
| 62 | R | 37.7 | Very low | 41.4 | Very low | 220 Ų | 220 | 139.2 Ų | 139.2 | 83% | 0.83 | 74% | 0.737 | S | S | * | * | trans | 79.8 | 110.6 | 159.6 | -75.4 | 169.6 | 178.7 | 149.5 | -3.1 | 119 | ||||
| 63 | Q | 37.8 | Very low | 41.6 | Very low | 175 Ų | 175 | 136 Ų | 136 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | 74.8 | 56.1 | 120.4 | -160.3 | 172.9 | -17.3 | 0 | 0 | 117.5 | |||||
| 64 | T | 33.3 | Very low | 42.2 | Very low | 129 Ų | 129 | 132.6 Ų | 132.6 | 79% | 0.791 | 70% | 0.702 | S | S | * | * | trans | -92 | 88.2 | 157.5 | 40.8 | 0 | 0 | 0 | 0 | 110.5 | L66 | T64-L66 PolarHBondContact O-N 3Š| ||
| 65 | S | 41.4 | Very low | 43.8 | Very low | 101 Ų | 101 | 128.6 Ų | 128.6 | 71% | 0.706 | 69% | 0.694 | S | S | * | * | trans | -64.8 | 100.9 | 158 | 50.2 | 0 | 0 | 0 | 0 | 107.8 | V67 | S65-V67 PolarHBondContact O-N 3.45Š| ||
| 66 | L | 43.9 | Very low | 45.7 | Very low | 144 Ų | 144 | 124.9 Ų | 124.9 | 75% | 0.754 | 67% | 0.67 | S | S | * | * | trans | -64.2 | 99.5 | 175.8 | -75.6 | 171.8 | 0 | 0 | 0 | 109.1 | T64 I68 | T64-L66 PolarHBondContact O-N 3Å; L66-I68 HydrophobicContact CB-CG1 4.11Å; L66-I68 PolarHBondContact O-N 3.06Å | ||
| 67 | V | 36.2 | Very low | 47.8 | Very low | 122 Ų | 122 | 121.3 Ų | 121.3 | 74% | 0.739 | 67% | 0.666 | S | S | * | * | trans | -67.9 | 87.9 | 158.9 | -179.2 | 0 | 0 | 0 | 0 | 105.5 | S65 E69 | S65-V67 PolarHBondContact O-N 3.45Å; V67-E69 HydrophobicContact CG1-CB 4.44Å; V67-E69 PolarHBondContact O-N 2.65Å | ||
| 68 | I | 45.5 | Very low | 49.8 | Very low | 130 Ų | 130 | 114.2 Ų | 114.2 | 67% | 0.667 | 63% | 0.629 | S | S | * | * | trans | -71.6 | 83.4 | 168.8 | -56.7 | -179.9 | 0 | 0 | 0 | 105.8 | L66 S70 | L66-I68 HydrophobicContact CB-CG1 4.11Å; L66-I68 PolarHBondContact O-N 3.06Å; I68-S70 PolarHBondContact O-N 2.93Å; I68-S70 PolarHBondContact O-OG 3.28Å | ||
| 69 | E | 36.4 | Very low | 52.4 | Low | 173 Ų | 173 | 111.4 Ų | 111.4 | 81% | 0.808 | 60% | 0.602 | S | S | * | * | trans | -72.5 | 67.9 | 166.1 | -166.4 | 155.6 | -127.1 | 0 | 0 | 107.6 | V67 T71 | V67-E69 HydrophobicContact CG1-CB 4.44Å; V67-E69 PolarHBondContact O-N 2.65Å; E69-T71 PolarHBondContact O-N 3.04Å | ||
| 70 | S | 39.5 | Very low | 54.7 | Low | 60 Ų | 60 | 103.5 Ų | 103.5 | 42% | 0.42 | 56% | 0.561 | S | S | . | * | trans | -62.7 | 106.1 | 178.6 | 31.5 | 0 | 0 | 0 | 0 | 108 | I68 A72 E106 | I68-S70 PolarHBondContact O-N 2.93Å; I68-S70 PolarHBondContact O-OG 3.28Å; S70-A72 PolarHBondContact O-N 3.48Å; S70-E106 PolarHBondContact OG-OE1 3.37Å | ||
| 71 | T | 42.4 | Very low | 57.2 | Low | 122 Ų | 122 | 100.9 Ų | 100.9 | 75% | 0.748 | 54% | 0.539 | S | S | * | . | trans | -60.5 | 83.4 | 158.5 | 49.5 | 0 | 0 | 0 | 0 | 106.9 | E69 D73 | E69-T71 PolarHBondContact O-N 3.04Å; T71-D73 PolarHBondContact O-N 2.71Å | ||
| 72 | A | 51 | Low | 59.9 | Low | 40 Ų | 40 | 91.9 Ų | 91.9 | 33% | 0.331 | 50% | 0.5 | S | S | . | . | trans | -73.9 | 79.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | S70 S74 | S70-A72 PolarHBondContact O-N 3.48Å; A72-S74 PolarHBondContact O-N 3.23Å | ||
| 73 | D | 53.1 | Low | 62.7 | Low | 107 Ų | 107 | 81.7 Ų | 81.7 | 57% | 0.572 | 46% | 0.463 | S | S | * | . | trans | -47.1 | 110.8 | 174.3 | -76.9 | -47.3 | 0 | 0 | 0 | 108.2 | T71 N75 D76 | T71-D73 PolarHBondContact O-N 2.71Å; D73-N75 PolarHBondContact O-N 2.85Å; D73-D76 PolarHBondContact O-N 3.09Å | ||
| 74 | S | 61.6 | Low | 65.3 | Low | 51 Ų | 51 | 74.6 Ų | 74.6 | 36% | 0.357 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | 10.7 | -161.8 | 51.7 | 0 | 0 | 0 | 0 | 113.7 | A72 P155 R156 | A72-S74 PolarHBondContact O-N 3.23Å; S74-P155 WeakPolarHBondContact O-CA 3.19Å; S74-P155 WeakPolarHBondContact O-CB 3.36Å; S74-R156 VanDerWaalsContact CB-O 3.31Å; S74-R156 WeakPolarHBondContact CB-O 3.43Å; S74-R156 PolarHBondContact OG-O 2.73Å |
| 75 | N | 68.7 | Low | 68.3 | Low | 127 Ų | 127 | 68.5 Ų | 68.5 | 68% | 0.679 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.2 | 16.5 | -168.4 | -157.4 | 66.3 | 0 | 0 | 0 | 113.1 | D73 P77 | D73-N75 PolarHBondContact O-N 2.85Å; N75-P77 WeakPolarHBondContact O-CD 3.39Å |
| 76 | D | 81.2 | Confident | 70.8 | Confident | 35 Ų | 35 | 64.5 Ų | 64.5 | 19% | 0.187 | 37% | 0.372 | C | S | . | . | trans | -52.7 | 119.3 | 168.6 | -78.3 | -53.1 | 0 | 0 | 0 | 110.4 | D73 G78 K79 R105 T125 | D73-D76 PolarHBondContact O-N 3.09Å; D76-G78 VanDerWaalsContact C-N 3.27Å; D76-G78 PolarHBondContact O-N 2.97Å; D76-K79 HydrophobicContact CB-CB 3.87Å; D76-K79 HydrophobicContact CB-CD 4.34Å; D76-K79 WeakPolarHBondContact O-CB 3.31Å; D76-K79 PolarHBondContact O-N 2.25Å; D76-K79 VanDerWaalsContact O-N 3.16Å; D76-K79 IonicContact OD2-NZ 2.73Å; D76-K79 PolarHBondContact OD2-NZ 3.42Å; D76-R105 IonicContact OD1-NH1 2.59Å; D76-R105 PolarHBondContact OD1-NH1 3.34Å; D76-T125 HydrophobicContact CB-CG2 4.05Å | ||
| 77 | P | 84.3 | Confident | 73.1 | Confident | 104 Ų | 104 | 61.8 Ų | 61.8 | 68% | 0.675 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -23.4 | -179.8 | 27.6 | -34.5 | 0 | 0 | 0 | 113 | N75 K79 P129 | N75-P77 WeakPolarHBondContact O-CD 3.39Å; P77-K79 PolarHBondContact O-N 2.51Å; P77-P129 HydrophobicContact CB-CB 4.43Å |
| 78 | G | 89 | Confident | 75.7 | Confident | 5 Ų | 5 | 61 Ų | 61 | 5% | 0.052 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | 2.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | D76 T125 F126 | D76-G78 VanDerWaalsContact C-N 3.27Å; D76-G78 PolarHBondContact O-N 2.97Å; G78-T125 WeakPolarHBondContact O-CA 3.45Å; G78-F126 PolarHBondContact O-N 3.35Å |
| 79 | K | 92.6 | Very high | 78 | Confident | 23 Ų | 23 | 54.8 Ų | 54.8 | 10% | 0.1 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 127.8 | -170.6 | -155.5 | 174.8 | -136.2 | 75.1 | 0 | 112.4 | D76 P77 E106 I124 T125 A153 | D76-K79 HydrophobicContact CB-CB 3.87Å; D76-K79 HydrophobicContact CB-CD 4.34Å; D76-K79 WeakPolarHBondContact O-CB 3.31Å; D76-K79 PolarHBondContact O-N 2.25Å; D76-K79 VanDerWaalsContact O-N 3.16Å; D76-K79 IonicContact OD2-NZ 2.73Å; D76-K79 PolarHBondContact OD2-NZ 3.42Å; P77-K79 PolarHBondContact O-N 2.51Å; K79-E106 IonicContact NZ-OE2 3.97Å; K79-E106 PolarHBondContact NZ-OE2 3Å; K79-I124 CarbonylContact C-O 3.6Å; K79-I124 VanDerWaalsContact CA-O 3.29Å; K79-I124 WeakPolarHBondContact CA-O 3.27Å; K79-T125 HydrophobicContact CB-CG2 4.46Å; K79-T125 PolarHBondContact NZ-OG1 2.96Å; K79-A153 HydrophobicContact CB-CB 3.91Å; K79-A153 HydrophobicContact CD-CB 4.37Å; K79-A153 HydrophobicContact CG-CB 3.88Å; K79-A153 WeakPolarHBondContact O-CB 3.3Å; K79-A153 PolarHBondContact O-N 3.14Å |
| 80 | M | 94 | Very high | 80.7 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 144.5 | 175.7 | -56.1 | -167.7 | 80 | 0 | 0 | 111.8 | I82 F123 I124 F126 V132 V135 L136 P150 K151 | M80-I82 HydrophobicContact CB-CD1 4.01Å; M80-F123 VanDerWaalsContact O-CA 3.3Å; M80-F123 WeakPolarHBondContact O-CA 3.48Å; M80-I124 HydrophobicContact CB-CD1 4.36Å; M80-I124 HydrophobicContact CB-CG1 3.82Å; M80-I124 HydrophobicContact CG-CG1 4.41Å; M80-I124 PolarHBondContact N-O 3.49Å; M80-I124 PolarHBondContact O-N 3.43Å; M80-I124 HydrophobicContact SD-CD1 4.49Å; M80-F126 HydrophobicContact SD-CD2 4.42Å; M80-F126 HydrophobicContact SD-CE2 3.88Å; M80-V132 HydrophobicContact CE-CG1 3.93Å; M80-V132 HydrophobicContact CG-CB 4.36Å; M80-V132 HydrophobicContact CG-CG1 3.84Å; M80-V132 HydrophobicContact CG-CG2 3.96Å; M80-V132 HydrophobicContact SD-CB 4.26Å; M80-V132 HydrophobicContact SD-CG1 3.91Å; M80-V132 HydrophobicContact SD-CG2 4.3Å; M80-V135 HydrophobicContact CE-CB 4.08Å; M80-V135 HydrophobicContact CE-CG1 3.69Å; M80-V135 HydrophobicContact SD-CB 3.9Å; M80-V135 HydrophobicContact SD-CG1 3.81Å; M80-V135 HydrophobicContact SD-CG2 4.25Å; M80-L136 HydrophobicContact CE-CD2 3.77Å; M80-L136 HydrophobicContact CE-CG 3.86Å; M80-P150 HydrophobicContact CE-CB 4.01Å; M80-K151 CarbonylContact C-O 3.6Å; M80-K151 WeakPolarHBondContact CA-O 3.39Å; M80-K151 WeakPolarHBondContact CB-O 3.35Å |
| 81 | F | 94.6 | Very high | 83.2 | Confident | 62 Ų | 62 | 49.4 Ų | 49.4 | 27% | 0.272 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 125.6 | 163.9 | 170.1 | -92.2 | 0 | 0 | 0 | 108.8 | F121 F123 P150 K151 | F81-F121 HydrophobicContact CD2-CD2 4.23Å; F81-F121 HydrophobicContact CE2-CB 3.86Å; F81-F121 AromaticContact CE2-CD2 3.46Å; F81-F121 HydrophobicContact CE2-CD2 3.46Å; F81-F121 VanDerWaalsContact CE2-CD2 3.46Å; F81-F121 HydrophobicContact CE2-CE2 4.15Å; F81-F121 AromaticContact CE2-CG 3.85Å; F81-F121 HydrophobicContact CE2-CG 3.85Å; F81-F121 HydrophobicContact CZ-CB 3.83Å; F81-F121 HydrophobicContact CZ-CD2 4.24Å; F81-F121 HydrophobicContact CZ-CG 4.17Å; F81-F123 HydrophobicContact CB-CD1 4.39Å; F81-F123 HydrophobicContact CB-CE1 4.15Å; F81-F123 AromaticContact CD2-CE1 3.87Å; F81-F123 HydrophobicContact CD2-CE1 3.87Å; F81-F123 AromaticContact CD2-CZ 3.95Å; F81-F123 HydrophobicContact CD2-CZ 3.95Å; F81-P150 WeakPolarHBondContact O-CA 3.15Å; F81-K151 PolarHBondContact N-O 3.37Å; F81-K151 PolarHBondContact O-N 2.9Å |
| 82 | I | 94.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 98.1 | 177.9 | -48.9 | -56.1 | 0 | 0 | 0 | 108.7 | M80 L85 F98 F121 G122 I124 I148 P150 | M80-I82 HydrophobicContact CB-CD1 4.01Å; I82-L85 HydrophobicContact CG2-CD2 3.63Å; I82-L85 HydrophobicContact CG2-CG 4.31Å; I82-F98 HydrophobicContact CD1-CE1 4.17Å; I82-F98 HydrophobicContact CD1-CE2 3.98Å; I82-F98 HydrophobicContact CD1-CZ 3.66Å; I82-F98 HydrophobicContact CG1-CE2 4.14Å; I82-F98 HydrophobicContact CG1-CZ 4.3Å; I82-F98 HydrophobicContact CG2-CE2 3.97Å; I82-F98 HydrophobicContact CG2-CZ 4.12Å; I82-F121 CarbonylContact O-C 3.57Å; I82-F121 VanDerWaalsContact O-CA 3.22Å; I82-F121 WeakPolarHBondContact O-CA 3.19Å; I82-F121 WeakPolarHBondContact O-CB 3.39Å; I82-G122 PolarHBondContact N-O 3.45Å; I82-G122 PolarHBondContact O-N 2.81Å; I82-I124 HydrophobicContact CD1-CD1 3.81Å; I82-I124 HydrophobicContact CD1-CG1 3.96Å; I82-I124 HydrophobicContact CG1-CD1 4.24Å; I82-I124 HydrophobicContact CG1-CG1 4.08Å; I82-I124 HydrophobicContact CG1-CG2 4.34Å; I82-I148 HydrophobicContact CG2-CD1 4.14Å; I82-P150 HydrophobicContact CD1-CB 3.73Å |
| 83 | G | 94.6 | Very high | 87.7 | Confident | 5 Ų | 5 | 46.2 Ų | 46.2 | 5% | 0.052 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 155.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I148 D149 | G83-I148 WeakPolarHBondContact O-CA 3.45Å; G83-I148 WeakPolarHBondContact O-CB 3.44Å; G83-D149 PolarHBondContact N-O 3.46Å; G83-D149 PolarHBondContact O-N 3.04Å |
| 84 | G | 94 | Very high | 89.6 | Confident | 27 Ų | 27 | 41.2 Ų | 41.2 | 28% | 0.278 | 25% | 0.253 | S | S | . | . | S | Bend | trans | 78.9 | 19.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 116 | G120 K146 | G84-G120 PolarHBondContact N-O 2.97Å; G84-K146 VanDerWaalsContact C-NZ 3.29Å; G84-K146 PolarHBondContact O-NZ 3.43Å |
| 85 | L | 95 | Very high | 91.1 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -57.2 | 161.3 | 173 | -58.7 | 178.3 | 0 | 0 | 0 | 112.5 | I82 T89 L94 I109 G120 L143 K146 I148 | I82-L85 HydrophobicContact CG2-CD2 3.63Å; I82-L85 HydrophobicContact CG2-CG 4.31Å; L85-T89 HydrophobicContact CD2-CG2 4.43Å; L85-L94 HydrophobicContact CD1-CD1 3.57Å; L85-L94 HydrophobicContact CD2-CD1 3.74Å; L85-L94 HydrophobicContact CD2-CG 4.45Å; L85-L94 HydrophobicContact CG-CD1 4.31Å; L85-I109 HydrophobicContact CD1-CD1 4.08Å; L85-I109 HydrophobicContact CD1-CG1 3.89Å; L85-I109 HydrophobicContact CD1-CG2 4.18Å; L85-G120 PolarHBondContact N-O 2.97Å; L85-L143 HydrophobicContact CD2-CD2 4.35Å; L85-K146 PolarHBondContact O-NZ 3.01Å; L85-I148 HydrophobicContact CD2-CG2 4.2Å | ||
| 86 | S | 94.1 | Very high | 92.4 | Very high | 17 Ų | 17 | 41.4 Ų | 41.4 | 12% | 0.119 | 24% | 0.244 | C | C | . | . | trans | -74.9 | 150.7 | 167.8 | -175.3 | 0 | 0 | 0 | 0 | 110.4 | T88 T89 | S86-T88 WeakPolarHBondContact CB-OG1 3.24Å; S86-T88 PolarHBondContact O-N 3.13Å; S86-T88 PolarHBondContact OG-N 3Å; S86-T88 PolarHBondContact OG-OG1 2.61Å; S86-T89 WeakPolarHBondContact CA-OG1 3.47Å; S86-T89 VanDerWaalsContact CB-OG1 3.28Å; S86-T89 WeakPolarHBondContact CB-OG1 2.94Å; S86-T89 PolarHBondContact N-OG1 3.32Å; S86-T89 PolarHBondContact O-N 3.44Å; S86-T89 PolarHBondContact O-OG1 2.86Å | ||
| 87 | P | 91.9 | Very high | 93 | Very high | 87 Ų | 87 | 41.9 Ų | 41.9 | 57% | 0.565 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -23.9 | 165.8 | -25.6 | 36 | 0 | 0 | 0 | 113.5 | S118 | P87-S118 WeakPolarHBondContact O-CB 3.39Š|
| 88 | T | 92.3 | Very high | 93.5 | Very high | 105 Ų | 105 | 36.9 Ų | 36.9 | 64% | 0.644 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -14.4 | 179.3 | 57.4 | 0 | 0 | 0 | 0 | 114.4 | S86 T90 | S86-T88 WeakPolarHBondContact CB-OG1 3.24Å; S86-T88 PolarHBondContact O-N 3.13Å; S86-T88 PolarHBondContact OG-N 3Å; S86-T88 PolarHBondContact OG-OG1 2.61Å; T88-T90 PolarHBondContact O-N 3.37Å |
| 89 | T | 92.6 | Very high | 93.7 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | trans | -61.1 | 130.8 | -172.9 | -49.1 | 0 | 0 | 0 | 0 | 111.6 | L85 S86 L94 I109 R111 L143 D144 | L85-T89 HydrophobicContact CD2-CG2 4.43Å; S86-T89 WeakPolarHBondContact CA-OG1 3.47Å; S86-T89 VanDerWaalsContact CB-OG1 3.28Å; S86-T89 WeakPolarHBondContact CB-OG1 2.94Å; S86-T89 PolarHBondContact N-OG1 3.32Å; S86-T89 PolarHBondContact O-N 3.44Å; S86-T89 PolarHBondContact O-OG1 2.86Å; T89-L94 HydrophobicContact CG2-CB 4.32Å; T89-I109 HydrophobicContact CG2-CD1 3.9Å; T89-I109 VanDerWaalsContact O-CD1 3.29Å; T89-I109 WeakPolarHBondContact O-CD1 3.45Å; T89-R111 PolarHBondContact O-NH2 3.44Å; T89-L143 HydrophobicContact CG2-CD2 3.82Å; T89-L143 HydrophobicContact CG2-CG 4.41Å; T89-D144 VanDerWaalsContact CA-OD2 3.22Å; T89-D144 WeakPolarHBondContact CA-OD2 3.25Å; T89-D144 WeakPolarHBondContact CB-OD2 3.24Å; T89-D144 WeakPolarHBondContact CG2-OD2 3.37Å; T89-D144 PolarHBondContact OG1-OD2 3.1Å | ||
| 90 | T | 93.3 | Very high | 93.7 | Very high | 73 Ų | 73 | 45.5 Ų | 45.5 | 45% | 0.448 | 25% | 0.249 | S | C | . | . | trans | -91 | 160.5 | 175.2 | 58.5 | 0 | 0 | 0 | 0 | 111.1 | T88 E92 G93 L94 I109 | T88-T90 PolarHBondContact O-N 3.37Å; T90-E92 PolarHBondContact O-N 3.17Å; T90-G93 PolarHBondContact OG1-N 3.17Å; T90-G93 VanDerWaalsContact OG1-N 3.08Å; T90-L94 PolarHBondContact O-N 2.74Å; T90-I109 VanDerWaalsContact C-CD1 3.46Å; T90-I109 VanDerWaalsContact O-CD1 3.26Å; T90-I109 WeakPolarHBondContact O-CD1 3.36Å | ||
| 91 | S | 92.6 | Very high | 93.7 | Very high | 46 Ų | 46 | 47 Ų | 47 | 32% | 0.322 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -55.1 | -44.1 | 171.1 | 42.7 | 0 | 0 | 0 | 0 | 111.3 | L94 R95 Y107 | S91-L94 PolarHBondContact O-N 2.85Å; S91-R95 WeakPolarHBondContact O-CB 3.12Å; S91-R95 PolarHBondContact O-N 3.47Å; S91-Y107 WeakPolarHBondContact O-CD2 3.49Å |
| 92 | E | 94.1 | Very high | 93.6 | Very high | 76 Ų | 76 | 45 Ų | 45 | 36% | 0.355 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.3 | -48.1 | -178.9 | -46.1 | -39.6 | 108 | 0 | 0 | 111.9 | T90 L94 R95 D96 | T90-E92 PolarHBondContact O-N 3.17Å; E92-L94 PolarHBondContact O-N 3.13Å; E92-R95 CarbonylContact O-C 3.53Å; E92-R95 WeakPolarHBondContact O-CA 3.02Å; E92-R95 WeakPolarHBondContact O-CB 3.15Å; E92-R95 PolarHBondContact O-N 3.4Å; E92-R95 IonicContact OE2-NH1 3.23Å; E92-D96 WeakPolarHBondContact O-CB 3.4Å; E92-D96 PolarHBondContact O-N 3.26Å |
| 93 | G | 93 | Very high | 93.6 | Very high | 20 Ų | 20 | 51.6 Ų | 51.6 | 21% | 0.206 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.5 | -28.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | T90 Y97 | T90-G93 PolarHBondContact OG1-N 3.17Å; T90-G93 VanDerWaalsContact OG1-N 3.08Å; G93-Y97 WeakPolarHBondContact O-CB 3.28Å; G93-Y97 PolarHBondContact O-N 3.44Å |
| 94 | L | 93.2 | Very high | 93.5 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.8 | -49 | 171 | -165.1 | 159.7 | 0 | 0 | 0 | 110.8 | L85 T89 T90 S91 E92 Y97 F98 I109 I124 L143 | L85-L94 HydrophobicContact CD1-CD1 3.57Å; L85-L94 HydrophobicContact CD2-CD1 3.74Å; L85-L94 HydrophobicContact CD2-CG 4.45Å; L85-L94 HydrophobicContact CG-CD1 4.31Å; T89-L94 HydrophobicContact CG2-CB 4.32Å; T90-L94 PolarHBondContact O-N 2.74Å; S91-L94 PolarHBondContact O-N 2.85Å; E92-L94 PolarHBondContact O-N 3.13Å; L94-Y97 PolarHBondContact O-N 3.11Å; L94-F98 HydrophobicContact CD2-CD2 3.76Å; L94-F98 HydrophobicContact CD2-CE2 4.17Å; L94-F98 HydrophobicContact CG-CD2 4.26Å; L94-F98 HydrophobicContact CG-CE2 4.36Å; L94-F98 WeakPolarHBondContact O-CD2 3.4Å; L94-F98 PolarHBondContact O-N 3.28Å; L94-I109 HydrophobicContact CB-CD1 4.32Å; L94-I109 HydrophobicContact CD1-CD1 3.94Å; L94-I109 HydrophobicContact CD1-CG1 3.69Å; L94-I124 HydrophobicContact CD2-CG2 3.23Å; L94-L143 HydrophobicContact CB-CD2 4.5Å |
| 95 | R | 94.6 | Very high | 93.5 | Very high | 84 Ų | 84 | 59.2 Ų | 59.2 | 32% | 0.317 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -54.1 | -56.6 | 175.7 | 174.3 | -150 | 168.4 | 170.7 | -2.8 | 110.9 | S91 E92 Y97 F98 Q99 L104 Y107 | S91-R95 WeakPolarHBondContact O-CB 3.12Å; S91-R95 PolarHBondContact O-N 3.47Å; E92-R95 CarbonylContact O-C 3.53Å; E92-R95 WeakPolarHBondContact O-CA 3.02Å; E92-R95 WeakPolarHBondContact O-CB 3.15Å; E92-R95 PolarHBondContact O-N 3.4Å; E92-R95 IonicContact OE2-NH1 3.23Å; R95-Y97 PolarHBondContact O-N 3.38Å; R95-F98 PolarHBondContact O-N 3.21Å; R95-Q99 VanDerWaalsContact NH2-OE1 3.11Å; R95-Q99 WeakPolarHBondContact O-CB 3.2Å; R95-Q99 PolarHBondContact O-N 3.14Å; R95-L104 HydrophobicContact CB-CD1 4.2Å; R95-L104 HydrophobicContact CG-CD1 3.93Å; R95-L104 WeakPolarHBondContact O-CD1 3.31Å; R95-Y107 HydrophobicContact CB-CD1 4.25Å; R95-Y107 HydrophobicContact CB-CD2 3.92Å; R95-Y107 HydrophobicContact CB-CE1 4.35Å; R95-Y107 HydrophobicContact CB-CE2 4Å; R95-Y107 HydrophobicContact CB-CG 4.08Å; R95-Y107 HydrophobicContact CG-CD1 4.19Å; R95-Y107 HydrophobicContact CG-CE1 4.02Å; R95-Y107 HydrophobicContact CG-CE2 4.44Å |
| 96 | D | 94.7 | Very high | 93.4 | Very high | 99 Ų | 99 | 60.8 Ų | 60.8 | 53% | 0.529 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.7 | -36.4 | -176.4 | -63.2 | -23.9 | 0 | 0 | 0 | 111.8 | E92 | E92-D96 WeakPolarHBondContact O-CB 3.4Å; E92-D96 PolarHBondContact O-N 3.26Å |
| 97 | Y | 94.1 | Very high | 93.3 | Very high | 44 Ų | 44 | 63.6 Ų | 63.6 | 17% | 0.173 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68.5 | -36.5 | 176.8 | -174.7 | -91.4 | 0 | 0 | 0 | 113.8 | G93 L94 R95 K100 H141 I142 L143 I148 | G93-Y97 WeakPolarHBondContact O-CB 3.28Å; G93-Y97 PolarHBondContact O-N 3.44Å; L94-Y97 PolarHBondContact O-N 3.11Å; R95-Y97 PolarHBondContact O-N 3.38Å; Y97-K100 VanDerWaalsContact O-CD 3.22Å; Y97-K100 WeakPolarHBondContact O-CD 3.4Å; Y97-K100 WeakPolarHBondContact O-CE 3.42Å; Y97-K100 WeakPolarHBondContact O-CG 3.45Å; Y97-K100 PolarHBondContact O-NZ 2.79Å; Y97-H141 HydrophobicContact CE1-CB 4.04Å; Y97-H141 AromaticContact CE1-ND1 3.85Å; Y97-H141 WeakPolarHBondContact OH-CA 3.14Å; Y97-H141 WeakPolarHBondContact OH-CB 3.46Å; Y97-I142 WeakPolarHBondContact CE2-O 3.38Å; Y97-I142 PolarHBondContact OH-N 2.77Å; Y97-I142 PolarHBondContact OH-O 2.78Å; Y97-L143 HydrophobicContact CD2-CD1 4.02Å; Y97-L143 HydrophobicContact CG-CD1 4.11Å; Y97-I148 HydrophobicContact CD1-CD1 4.29Å; Y97-I148 HydrophobicContact CE1-CD1 4.08Å |
| 98 | F | 94.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -93.3 | -22.8 | -177.7 | -77 | -74.2 | 0 | 0 | 0 | 113.8 | I82 L94 R95 K100 Y101 L104 I124 F126 V135 I148 P150 | I82-F98 HydrophobicContact CD1-CE1 4.17Å; I82-F98 HydrophobicContact CD1-CE2 3.98Å; I82-F98 HydrophobicContact CD1-CZ 3.66Å; I82-F98 HydrophobicContact CG1-CE2 4.14Å; I82-F98 HydrophobicContact CG1-CZ 4.3Å; I82-F98 HydrophobicContact CG2-CE2 3.97Å; I82-F98 HydrophobicContact CG2-CZ 4.12Å; L94-F98 HydrophobicContact CD2-CD2 3.76Å; L94-F98 HydrophobicContact CD2-CE2 4.17Å; L94-F98 HydrophobicContact CG-CD2 4.26Å; L94-F98 HydrophobicContact CG-CE2 4.36Å; L94-F98 WeakPolarHBondContact O-CD2 3.4Å; L94-F98 PolarHBondContact O-N 3.28Å; R95-F98 PolarHBondContact O-N 3.21Å; F98-K100 PolarHBondContact O-N 2.85Å; F98-Y101 HydrophobicContact CD1-CD2 4.01Å; F98-Y101 HydrophobicContact CD1-CE2 4.12Å; F98-Y101 WeakPolarHBondContact O-CD2 3.42Å; F98-Y101 PolarHBondContact O-N 2.96Å; F98-L104 HydrophobicContact CB-CD1 4Å; F98-L104 HydrophobicContact CB-CD2 4.35Å; F98-I124 HydrophobicContact CB-CD1 4Å; F98-I124 HydrophobicContact CD1-CD1 3.81Å; F98-I124 HydrophobicContact CD2-CD1 4.03Å; F98-I124 HydrophobicContact CE1-CD1 4.31Å; F98-I124 HydrophobicContact CG-CD1 3.67Å; F98-F126 HydrophobicContact CB-CZ 4.2Å; F98-F126 HydrophobicContact CD1-CZ 4.31Å; F98-V135 HydrophobicContact CD1-CG1 4.42Å; F98-V135 HydrophobicContact CD1-CG2 4.01Å; F98-V135 HydrophobicContact CE1-CG1 3.84Å; F98-V135 HydrophobicContact CE1-CG2 4.25Å; F98-I148 HydrophobicContact CE2-CD1 3.8Å; F98-I148 HydrophobicContact CZ-CD1 3.61Å; F98-P150 HydrophobicContact CE1-CB 4.45Å; F98-P150 HydrophobicContact CZ-CB 4.41Å |
| 99 | Q | 93.7 | Very high | 93.4 | Very high | 91 Ų | 91 | 58.9 Ų | 58.9 | 43% | 0.425 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -20.5 | 178.8 | -164.1 | 178.9 | -72.9 | 0 | 0 | 113 | R95 Y101 G102 L104 | R95-Q99 VanDerWaalsContact NH2-OE1 3.11Å; R95-Q99 WeakPolarHBondContact O-CB 3.2Å; R95-Q99 PolarHBondContact O-N 3.14Å; Q99-Y101 VanDerWaalsContact C-N 3.25Å; Q99-Y101 PolarHBondContact O-N 2.95Å; Q99-G102 CarbonylContact C-O 3.56Å; Q99-G102 WeakPolarHBondContact CA-O 3.25Å; Q99-G102 PolarHBondContact O-N 3.04Å; Q99-L104 HydrophobicContact CB-CD1 4.47Å |
| 100 | K | 92.8 | Very high | 93.5 | Very high | 118 Ų | 118 | 60.8 Ų | 60.8 | 51% | 0.513 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -15.5 | 173.3 | 77.3 | -164.9 | -180 | -153.8 | 0 | 114.8 | Y97 F98 | Y97-K100 VanDerWaalsContact O-CD 3.22Å; Y97-K100 WeakPolarHBondContact O-CD 3.4Å; Y97-K100 WeakPolarHBondContact O-CE 3.42Å; Y97-K100 WeakPolarHBondContact O-CG 3.45Å; Y97-K100 PolarHBondContact O-NZ 2.79Å; F98-K100 PolarHBondContact O-N 2.85Å |
| 101 | Y | 93.1 | Very high | 93.5 | Very high | 32 Ų | 32 | 62.9 Ų | 62.9 | 13% | 0.125 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -23.8 | 176.5 | -60.6 | -74.7 | 0 | 0 | 0 | 112.8 | F98 Q99 C131 K134 V135 T138 H141 | F98-Y101 HydrophobicContact CD1-CD2 4.01Å; F98-Y101 HydrophobicContact CD1-CE2 4.12Å; F98-Y101 WeakPolarHBondContact O-CD2 3.42Å; F98-Y101 PolarHBondContact O-N 2.96Å; Q99-Y101 VanDerWaalsContact C-N 3.25Å; Q99-Y101 PolarHBondContact O-N 2.95Å; Y101-C131 PolarHBondContact O-SG 2.78Å; Y101-K134 HydrophobicContact CD1-CB 4.5Å; Y101-V135 HydrophobicContact CD1-CG2 4.21Å; Y101-V135 HydrophobicContact CD2-CG2 3.54Å; Y101-V135 HydrophobicContact CE2-CG2 4.04Å; Y101-V135 HydrophobicContact CG-CG2 3.64Å; Y101-T138 HydrophobicContact CE1-CG2 3.87Å; Y101-T138 WeakPolarHBondContact OH-CG2 3.39Å; Y101-H141 AromaticContact CZ-CE1 3.74Å; Y101-H141 PolarHBondContact OH-CE1 2.97Å; Y101-H141 VanDerWaalsContact OH-CE1 3.23Å; Y101-H141 PolarHBondContact OH-ND1 3.31Å |
| 102 | G | 92.6 | Very high | 93.4 | Very high | 18 Ų | 18 | 62.9 Ų | 62.9 | 19% | 0.186 | 29% | 0.288 | C | S | . | . | S | Bend | trans | 166.2 | 173.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q99 | Q99-G102 CarbonylContact C-O 3.56Å; Q99-G102 WeakPolarHBondContact CA-O 3.25Å; Q99-G102 PolarHBondContact O-N 3.04Å |
| 103 | E | 94.5 | Very high | 93.3 | Very high | 139 Ų | 139 | 63.8 Ų | 63.8 | 65% | 0.65 | 30% | 0.3 | S | S | * | . | trans | -69.8 | 142.6 | 177.9 | -171.1 | 179.3 | -153.1 | 0 | 0 | 112.1 | F126 S127 | E103-F126 CarbonylContact O-C 3.58Å; E103-F126 WeakPolarHBondContact O-CA 3.42Å; E103-F126 WeakPolarHBondContact O-CD1 3.45Å; E103-S127 PolarHBondContact O-N 3.46Å; E103-S127 PolarHBondContact OE2-OG 2.65Å | ||
| 104 | L | 93.8 | Very high | 93.2 | Very high | 20 Ų | 20 | 70.1 Ų | 70.1 | 11% | 0.105 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 111.9 | -179.4 | -66.7 | 172.6 | 0 | 0 | 0 | 110.9 | R95 F98 Q99 Y107 I124 T125 F126 | R95-L104 HydrophobicContact CB-CD1 4.2Å; R95-L104 HydrophobicContact CG-CD1 3.93Å; R95-L104 WeakPolarHBondContact O-CD1 3.31Å; F98-L104 HydrophobicContact CB-CD1 4Å; F98-L104 HydrophobicContact CB-CD2 4.35Å; Q99-L104 HydrophobicContact CB-CD1 4.47Å; L104-Y107 HydrophobicContact CB-CD1 4.49Å; L104-I124 HydrophobicContact CD2-CB 4.13Å; L104-I124 HydrophobicContact CD2-CD1 4.17Å; L104-T125 CarbonylContact C-O 3.59Å; L104-F126 HydrophobicContact CD2-CD1 3.59Å; L104-F126 HydrophobicContact CD2-CD2 4.41Å; L104-F126 HydrophobicContact CD2-CE1 3.53Å; L104-F126 HydrophobicContact CD2-CE2 4.37Å; L104-F126 HydrophobicContact CD2-CG 4.04Å; L104-F126 HydrophobicContact CD2-CZ 3.95Å; L104-F126 HydrophobicContact CG-CD1 4.43Å; L104-F126 HydrophobicContact CG-CE1 4.33Å |
| 105 | R | 93 | Very high | 93.2 | Very high | 172 Ų | 172 | 74.4 Ų | 74.4 | 65% | 0.649 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72 | -33.4 | 174.7 | -175.5 | -179.2 | 177.6 | -140.8 | -0.5 | 112.4 | D76 T125 | D76-R105 IonicContact OD1-NH1 2.59Å; D76-R105 PolarHBondContact OD1-NH1 3.34Å; R105-T125 PolarHBondContact N-O 2.84Å |
| 106 | E | 92.4 | Very high | 93 | Very high | 34 Ų | 34 | 77.2 Ų | 77.2 | 16% | 0.159 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 143.6 | -179.4 | -174.6 | -172.1 | -147.5 | 0 | 0 | 110.7 | S70 K79 I124 T125 | S70-E106 PolarHBondContact OG-OE1 3.37Å; K79-E106 IonicContact NZ-OE2 3.97Å; K79-E106 PolarHBondContact NZ-OE2 3Å; E106-I124 CarbonylContact O-C 3.55Å; E106-I124 WeakPolarHBondContact O-CA 3.17Å; E106-T125 PolarHBondContact N-O 3.28Å; E106-T125 PolarHBondContact O-N 3.44Å; E106-T125 PolarHBondContact OE2-OG1 3.05Å |
| 107 | Y | 93.8 | Very high | 92.9 | Very high | 76 Ų | 76 | 81.2 Ų | 81.2 | 30% | 0.298 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 128.8 | 171.5 | 52.1 | -81.4 | 0 | 0 | 0 | 110.4 | S91 R95 L104 | S91-Y107 WeakPolarHBondContact O-CD2 3.49Å; R95-Y107 HydrophobicContact CB-CD1 4.25Å; R95-Y107 HydrophobicContact CB-CD2 3.92Å; R95-Y107 HydrophobicContact CB-CE1 4.35Å; R95-Y107 HydrophobicContact CB-CE2 4Å; R95-Y107 HydrophobicContact CB-CG 4.08Å; R95-Y107 HydrophobicContact CG-CD1 4.19Å; R95-Y107 HydrophobicContact CG-CE1 4.02Å; R95-Y107 HydrophobicContact CG-CE2 4.44Å; L104-Y107 HydrophobicContact CB-CD1 4.49Å |
| 108 | M | 91.8 | Very high | 92.8 | Very high | 76 Ų | 76 | 79.7 Ų | 79.7 | 37% | 0.374 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 125 | -177.2 | 175.2 | 172.3 | 49.2 | 0 | 0 | 111.8 | M110 G122 F123 | M108-M110 HydrophobicContact CE-SD 3.97Å; M108-M110 HydrophobicContact CG-SD 4.32Å; M108-M110 HydrophobicContact SD-SD 4.08Å; M108-G122 CarbonylContact O-C 3.59Å; M108-G122 WeakPolarHBondContact O-CA 3.44Å; M108-F123 PolarHBondContact N-O 2.83Å; M108-F123 PolarHBondContact O-N 3.48Å |
| 109 | I | 94.6 | Very high | 92.8 | Very high | 17 Ų | 17 | 86.5 Ų | 86.5 | 9% | 0.087 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 125.5 | 169.6 | -64 | -178.5 | 0 | 0 | 0 | 109.3 | L85 T89 T90 L94 R111 | L85-I109 HydrophobicContact CD1-CD1 4.08Å; L85-I109 HydrophobicContact CD1-CG1 3.89Å; L85-I109 HydrophobicContact CD1-CG2 4.18Å; T89-I109 HydrophobicContact CG2-CD1 3.9Å; T89-I109 VanDerWaalsContact O-CD1 3.29Å; T89-I109 WeakPolarHBondContact O-CD1 3.45Å; T90-I109 VanDerWaalsContact C-CD1 3.46Å; T90-I109 VanDerWaalsContact O-CD1 3.26Å; T90-I109 WeakPolarHBondContact O-CD1 3.36Å; L94-I109 HydrophobicContact CB-CD1 4.32Å; L94-I109 HydrophobicContact CD1-CD1 3.94Å; L94-I109 HydrophobicContact CD1-CG1 3.69Å; I109-R111 HydrophobicContact CG2-CG 4.4Å; I109-R111 PolarHBondContact O-N 3.34Å |
| 110 | M | 92.9 | Very high | 92.7 | Very high | 41 Ų | 41 | 83 Ų | 83 | 20% | 0.202 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 117.8 | -179.9 | -64.4 | -60.5 | -61 | 0 | 0 | 110 | M108 R119 F121 F123 | M108-M110 HydrophobicContact CE-SD 3.97Å; M108-M110 HydrophobicContact CG-SD 4.32Å; M108-M110 HydrophobicContact SD-SD 4.08Å; M110-R119 VanDerWaalsContact O-CB 3.25Å; M110-R119 WeakPolarHBondContact O-CB 3.27Å; M110-R119 WeakPolarHBondContact O-CG 3.41Å; M110-R119 PolarHBondContact O-N 2.99Å; M110-F121 HydrophobicContact CB-CD2 4.08Å; M110-F121 HydrophobicContact CB-CE1 4.45Å; M110-F121 HydrophobicContact CB-CE2 3.75Å; M110-F121 HydrophobicContact CB-CZ 3.94Å; M110-F121 HydrophobicContact CG-CD2 3.89Å; M110-F121 HydrophobicContact CG-CE2 3.49Å; M110-F121 VanDerWaalsContact CG-CE2 3.49Å; M110-F121 HydrophobicContact CG-CZ 4.11Å; M110-F121 PolarHBondContact N-O 2.93Å; M110-F123 HydrophobicContact CG-CD2 4.14Å; M110-F123 HydrophobicContact CG-CE2 4.03Å; M110-F123 HydrophobicContact SD-CD2 4.34Å; M110-F123 HydrophobicContact SD-CE2 4.36Å |
| 111 | R | 93.4 | Very high | 92.8 | Very high | 117 Ų | 117 | 79.5 Ų | 79.5 | 44% | 0.442 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 156.5 | 176.8 | -56.5 | -168.3 | 171.4 | -160.3 | -5.9 | 110.5 | T89 I109 R117 | T89-R111 PolarHBondContact O-NH2 3.44Å; I109-R111 HydrophobicContact CG2-CG 4.4Å; I109-R111 PolarHBondContact O-N 3.34Å; R111-R117 CarbonylContact C-O 3.58Å; R111-R117 WeakPolarHBondContact CA-O 3.08Å |
| 112 | D | 90.6 | Very high | 92.9 | Very high | 45 Ų | 45 | 78 Ų | 78 | 24% | 0.241 | 37% | 0.367 | C | S | . | . | trans | -68.7 | 125.9 | 170.3 | 169.9 | 12 | 0 | 0 | 0 | 109.4 | L114 T115 K116 R117 | D112-L114 PolarHBondContact O-N 3.07Å; D112-L114 PolarHBondContact OD1-N 2.92Å; D112-T115 VanDerWaalsContact OD2-CB 3.24Å; D112-T115 WeakPolarHBondContact OD2-CB 3.16Å; D112-T115 VanDerWaalsContact OD2-CG2 3.25Å; D112-T115 WeakPolarHBondContact OD2-CG2 3.31Å; D112-T115 PolarHBondContact OD2-N 2.83Å; D112-T115 PolarHBondContact OD2-OG1 2.64Å; D112-K116 WeakPolarHBondContact O-CA 3.46Å; D112-K116 PolarHBondContact O-N 2.87Å; D112-R117 PolarHBondContact N-O 3.39Å | ||
| 113 | P | 91.7 | Very high | 93 | Very high | 96 Ų | 96 | 78.3 Ų | 78.3 | 62% | 0.623 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -28.3 | 178.2 | 25.4 | -35.7 | 0 | 0 | 0 | 113.5 | K116 | P113-K116 WeakPolarHBondContact O-CE 3.32Å; P113-K116 PolarHBondContact O-NZ 2.85Å |
| 114 | L | 92.1 | Very high | 93 | Very high | 152 Ų | 152 | 71.7 Ų | 71.7 | 80% | 0.796 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -65.2 | -178.6 | -60.9 | 177.1 | 0 | 0 | 0 | 111.5 | D112 K116 | D112-L114 PolarHBondContact O-N 3.07Å; D112-L114 PolarHBondContact OD1-N 2.92Å; L114-K116 VanDerWaalsContact C-N 3.31Å; L114-K116 PolarHBondContact O-N 2.78Å |
| 115 | T | 93.3 | Very high | 93 | Very high | 91 Ų | 91 | 70.8 Ų | 70.8 | 56% | 0.558 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -6.8 | -175.1 | 68.6 | 0 | 0 | 0 | 0 | 114.7 | D112 R117 | D112-T115 VanDerWaalsContact OD2-CB 3.24Å; D112-T115 WeakPolarHBondContact OD2-CB 3.16Å; D112-T115 VanDerWaalsContact OD2-CG2 3.25Å; D112-T115 WeakPolarHBondContact OD2-CG2 3.31Å; D112-T115 PolarHBondContact OD2-N 2.83Å; D112-T115 PolarHBondContact OD2-OG1 2.64Å; T115-R117 PolarHBondContact O-N 2.95Å; T115-R117 WeakPolarHBondContact OG1-CB 3.49Å; T115-R117 PolarHBondContact OG1-N 2.65Å |
| 116 | K | 90.3 | Very high | 93.1 | Very high | 143 Ų | 143 | 62.8 Ų | 62.8 | 62% | 0.622 | 30% | 0.297 | S | S | * | . | trans | 56.6 | 4.7 | -171.1 | -50.9 | -52.4 | -173.7 | -166.6 | 0 | 115.2 | D112 P113 L114 | D112-K116 WeakPolarHBondContact O-CA 3.46Å; D112-K116 PolarHBondContact O-N 2.87Å; P113-K116 WeakPolarHBondContact O-CE 3.32Å; P113-K116 PolarHBondContact O-NZ 2.85Å; L114-K116 VanDerWaalsContact C-N 3.31Å; L114-K116 PolarHBondContact O-N 2.78Å | ||
| 117 | R | 91.7 | Very high | 93.2 | Very high | 183 Ų | 183 | 63.7 Ų | 63.7 | 69% | 0.691 | 31% | 0.307 | S | S | * | . | trans | -64.1 | 137.8 | 177.1 | -171.1 | 176 | -70.5 | -162.1 | -2.2 | 110.3 | R111 D112 T115 | R111-R117 CarbonylContact C-O 3.58Å; R111-R117 WeakPolarHBondContact CA-O 3.08Å; D112-R117 PolarHBondContact N-O 3.39Å; T115-R117 PolarHBondContact O-N 2.95Å; T115-R117 WeakPolarHBondContact OG1-CB 3.49Å; T115-R117 PolarHBondContact OG1-N 2.65Å | ||
| 118 | S | 92.6 | Very high | 93.2 | Very high | 13 Ų | 13 | 64.5 Ų | 64.5 | 9% | 0.091 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 134.9 | 170.8 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | P87 G120 | P87-S118 WeakPolarHBondContact O-CB 3.39Å; S118-G120 PolarHBondContact O-N 2.94Å; S118-G120 PolarHBondContact OG-N 3Å |
| 119 | R | 93.4 | Very high | 93.2 | Very high | 142 Ų | 142 | 64 Ų | 64 | 54% | 0.536 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 3.7 | 177.4 | -61.5 | 171.8 | 61.5 | 179.9 | -0.9 | 112.5 | M110 F121 | M110-R119 VanDerWaalsContact O-CB 3.25Å; M110-R119 WeakPolarHBondContact O-CB 3.27Å; M110-R119 WeakPolarHBondContact O-CG 3.41Å; M110-R119 PolarHBondContact O-N 2.99Å; R119-F121 VanDerWaalsContact C-N 3.31Å; R119-F121 HydrophobicContact CB-CD1 3.87Å; R119-F121 HydrophobicContact CB-CE1 3.63Å; R119-F121 WeakPolarHBondContact O-CD1 3.21Å; R119-F121 PolarHBondContact O-N 2.85Å |
| 120 | G | 93.3 | Very high | 93.1 | Very high | 19 Ų | 19 | 66.8 Ų | 66.8 | 20% | 0.196 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 76 | 14.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | G84 L85 S118 | G84-G120 PolarHBondContact N-O 2.97Å; L85-G120 PolarHBondContact N-O 2.97Å; S118-G120 PolarHBondContact O-N 2.94Å; S118-G120 PolarHBondContact OG-N 3Å |
| 121 | F | 94.8 | Very high | 93.1 | Very high | 44 Ų | 44 | 65 Ų | 65 | 19% | 0.193 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 160.2 | 174.5 | 71.2 | -89.3 | 0 | 0 | 0 | 112.2 | F81 I82 M110 R119 F123 | F81-F121 HydrophobicContact CD2-CD2 4.23Å; F81-F121 HydrophobicContact CE2-CB 3.86Å; F81-F121 AromaticContact CE2-CD2 3.46Å; F81-F121 HydrophobicContact CE2-CD2 3.46Å; F81-F121 VanDerWaalsContact CE2-CD2 3.46Å; F81-F121 HydrophobicContact CE2-CE2 4.15Å; F81-F121 AromaticContact CE2-CG 3.85Å; F81-F121 HydrophobicContact CE2-CG 3.85Å; F81-F121 HydrophobicContact CZ-CB 3.83Å; F81-F121 HydrophobicContact CZ-CD2 4.24Å; F81-F121 HydrophobicContact CZ-CG 4.17Å; I82-F121 CarbonylContact O-C 3.57Å; I82-F121 VanDerWaalsContact O-CA 3.22Å; I82-F121 WeakPolarHBondContact O-CA 3.19Å; I82-F121 WeakPolarHBondContact O-CB 3.39Å; M110-F121 HydrophobicContact CB-CD2 4.08Å; M110-F121 HydrophobicContact CB-CE1 4.45Å; M110-F121 HydrophobicContact CB-CE2 3.75Å; M110-F121 HydrophobicContact CB-CZ 3.94Å; M110-F121 HydrophobicContact CG-CD2 3.89Å; M110-F121 HydrophobicContact CG-CE2 3.49Å; M110-F121 VanDerWaalsContact CG-CE2 3.49Å; M110-F121 HydrophobicContact CG-CZ 4.11Å; M110-F121 PolarHBondContact N-O 2.93Å; R119-F121 VanDerWaalsContact C-N 3.31Å; R119-F121 HydrophobicContact CB-CD1 3.87Å; R119-F121 HydrophobicContact CB-CE1 3.63Å; R119-F121 WeakPolarHBondContact O-CD1 3.21Å; R119-F121 PolarHBondContact O-N 2.85Å; F121-F123 HydrophobicContact CD2-CE2 4.38Å; F121-F123 HydrophobicContact CE2-CE2 4.12Å |
| 122 | G | 94.3 | Very high | 93 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | -177 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | I82 M108 | I82-G122 PolarHBondContact N-O 3.45Å; I82-G122 PolarHBondContact O-N 2.81Å; M108-G122 CarbonylContact O-C 3.59Å; M108-G122 WeakPolarHBondContact O-CA 3.44Å |
| 123 | F | 94.9 | Very high | 93.1 | Very high | 24 Ų | 24 | 63.2 Ų | 63.2 | 11% | 0.105 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 148 | 171.1 | -64.9 | -86.6 | 0 | 0 | 0 | 109.4 | M80 F81 M108 M110 F121 A153 | M80-F123 VanDerWaalsContact O-CA 3.3Å; M80-F123 WeakPolarHBondContact O-CA 3.48Å; F81-F123 HydrophobicContact CB-CD1 4.39Å; F81-F123 HydrophobicContact CB-CE1 4.15Å; F81-F123 AromaticContact CD2-CE1 3.87Å; F81-F123 HydrophobicContact CD2-CE1 3.87Å; F81-F123 AromaticContact CD2-CZ 3.95Å; F81-F123 HydrophobicContact CD2-CZ 3.95Å; M108-F123 PolarHBondContact N-O 2.83Å; M108-F123 PolarHBondContact O-N 3.48Å; M110-F123 HydrophobicContact CG-CD2 4.14Å; M110-F123 HydrophobicContact CG-CE2 4.03Å; M110-F123 HydrophobicContact SD-CD2 4.34Å; M110-F123 HydrophobicContact SD-CE2 4.36Å; F121-F123 HydrophobicContact CD2-CE2 4.38Å; F121-F123 HydrophobicContact CE2-CE2 4.12Å; F123-A153 HydrophobicContact CD1-CB 4.43Å |
| 124 | I | 94.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 155 | 165.3 | 58.9 | 178.4 | 0 | 0 | 0 | 109.4 | K79 M80 I82 L94 F98 L104 E106 F126 | K79-I124 CarbonylContact C-O 3.6Å; K79-I124 VanDerWaalsContact CA-O 3.29Å; K79-I124 WeakPolarHBondContact CA-O 3.27Å; M80-I124 HydrophobicContact CB-CD1 4.36Å; M80-I124 HydrophobicContact CB-CG1 3.82Å; M80-I124 HydrophobicContact CG-CG1 4.41Å; M80-I124 PolarHBondContact N-O 3.49Å; M80-I124 PolarHBondContact O-N 3.43Å; M80-I124 HydrophobicContact SD-CD1 4.49Å; I82-I124 HydrophobicContact CD1-CD1 3.81Å; I82-I124 HydrophobicContact CD1-CG1 3.96Å; I82-I124 HydrophobicContact CG1-CD1 4.24Å; I82-I124 HydrophobicContact CG1-CG1 4.08Å; I82-I124 HydrophobicContact CG1-CG2 4.34Å; L94-I124 HydrophobicContact CD2-CG2 3.23Å; F98-I124 HydrophobicContact CB-CD1 4Å; F98-I124 HydrophobicContact CD1-CD1 3.81Å; F98-I124 HydrophobicContact CD2-CD1 4.03Å; F98-I124 HydrophobicContact CE1-CD1 4.31Å; F98-I124 HydrophobicContact CG-CD1 3.67Å; L104-I124 HydrophobicContact CD2-CB 4.13Å; L104-I124 HydrophobicContact CD2-CD1 4.17Å; E106-I124 CarbonylContact O-C 3.55Å; E106-I124 WeakPolarHBondContact O-CA 3.17Å; I124-F126 HydrophobicContact CD1-CD2 4.31Å; I124-F126 HydrophobicContact CD1-CE2 3.58Å; I124-F126 HydrophobicContact CD1-CZ 3.95Å; I124-F126 HydrophobicContact CG1-CE2 4.4Å |
| 125 | T | 94.2 | Very high | 93.3 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 113.3 | 170.2 | -46.7 | 0 | 0 | 0 | 0 | 107.3 | D76 G78 K79 L104 R105 E106 | D76-T125 HydrophobicContact CB-CG2 4.05Å; G78-T125 WeakPolarHBondContact O-CA 3.45Å; K79-T125 HydrophobicContact CB-CG2 4.46Å; K79-T125 PolarHBondContact NZ-OG1 2.96Å; L104-T125 CarbonylContact C-O 3.59Å; R105-T125 PolarHBondContact N-O 2.84Å; E106-T125 PolarHBondContact N-O 3.28Å; E106-T125 PolarHBondContact O-N 3.44Å; E106-T125 PolarHBondContact OE2-OG1 3.05Å |
| 126 | F | 95.2 | Very high | 93.2 | Very high | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 152.5 | 169.9 | -74.7 | -80.7 | 0 | 0 | 0 | 110.5 | G78 M80 F98 E103 L104 I124 D128 C131 V132 V135 | G78-F126 PolarHBondContact O-N 3.35Å; M80-F126 HydrophobicContact SD-CD2 4.42Å; M80-F126 HydrophobicContact SD-CE2 3.88Å; F98-F126 HydrophobicContact CB-CZ 4.2Å; F98-F126 HydrophobicContact CD1-CZ 4.31Å; E103-F126 CarbonylContact O-C 3.58Å; E103-F126 WeakPolarHBondContact O-CA 3.42Å; E103-F126 WeakPolarHBondContact O-CD1 3.45Å; L104-F126 HydrophobicContact CD2-CD1 3.59Å; L104-F126 HydrophobicContact CD2-CD2 4.41Å; L104-F126 HydrophobicContact CD2-CE1 3.53Å; L104-F126 HydrophobicContact CD2-CE2 4.37Å; L104-F126 HydrophobicContact CD2-CG 4.04Å; L104-F126 HydrophobicContact CD2-CZ 3.95Å; L104-F126 HydrophobicContact CG-CD1 4.43Å; L104-F126 HydrophobicContact CG-CE1 4.33Å; I124-F126 HydrophobicContact CD1-CD2 4.31Å; I124-F126 HydrophobicContact CD1-CE2 3.58Å; I124-F126 HydrophobicContact CD1-CZ 3.95Å; I124-F126 HydrophobicContact CG1-CE2 4.4Å; F126-D128 WeakPolarHBondContact CB-O 3.32Å; F126-C131 HydrophobicContact CB-CB 4.08Å; F126-C131 HydrophobicContact CD1-CB 3.52Å; F126-C131 HydrophobicContact CD2-CB 4.17Å; F126-C131 HydrophobicContact CE1-CB 3.93Å; F126-C131 HydrophobicContact CG-CB 3.66Å; F126-C131 HydrophobicContact CZ-CB 4.41Å; F126-V132 HydrophobicContact CD2-CG2 4.04Å; F126-V135 HydrophobicContact CE2-CG2 3.87Å; F126-V135 HydrophobicContact CZ-CG2 3.72Å |
| 127 | S | 93.6 | Very high | 93.3 | Very high | 52 Ų | 52 | 55.7 Ų | 55.7 | 36% | 0.364 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -63.1 | -46.2 | 168.1 | -59.8 | 0 | 0 | 0 | 0 | 110.5 | E103 | E103-S127 PolarHBondContact O-N 3.46Å; E103-S127 PolarHBondContact OE2-OG 2.65Å |
| 128 | D | 93.5 | Very high | 93.3 | Very high | 93 Ų | 93 | 50.3 Ų | 50.3 | 50% | 0.497 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -102.8 | 130.8 | 178.3 | -61.9 | -58.2 | 0 | 0 | 0 | 112.1 | F126 V130 C131 | F126-D128 WeakPolarHBondContact CB-O 3.32Å; D128-V130 VanDerWaalsContact C-N 3.26Å; D128-V130 PolarHBondContact O-N 3.39Å; D128-C131 WeakPolarHBondContact O-CB 3.49Å; D128-C131 PolarHBondContact O-N 3.4Å |
| 129 | P | 91.7 | Very high | 93 | Very high | 65 Ų | 65 | 52.7 Ų | 52.7 | 42% | 0.422 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -27.5 | 177.4 | 27.3 | -34.3 | 0 | 0 | 0 | 112.8 | P77 C131 V132 | P77-P129 HydrophobicContact CB-CB 4.43Å; P129-C131 PolarHBondContact O-N 3.09Å; P129-C131 VanDerWaalsContact O-N 3.07Å; P129-V132 WeakPolarHBondContact O-CB 3.49Å; P129-V132 WeakPolarHBondContact O-CG2 3.24Å; P129-V132 PolarHBondContact O-N 3.06Å |
| 130 | V | 92.4 | Very high | 92.8 | Very high | 77 Ų | 77 | 50.2 Ų | 50.2 | 47% | 0.467 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.8 | -22 | 177.2 | -169.3 | 0 | 0 | 0 | 0 | 112.1 | D128 V132 K134 | D128-V130 VanDerWaalsContact C-N 3.26Å; D128-V130 PolarHBondContact O-N 3.39Å; V130-V132 VanDerWaalsContact C-N 3.31Å; V130-K134 WeakPolarHBondContact O-CG 3.32Å; V130-K134 PolarHBondContact O-N 2.81Å |
| 131 | C | 92.9 | Very high | 92.8 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.02 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -74.8 | -22 | 176.5 | -59.9 | 0 | 0 | 0 | 0 | 113 | Y101 F126 D128 P129 V135 | Y101-C131 PolarHBondContact O-SG 2.78Å; F126-C131 HydrophobicContact CB-CB 4.08Å; F126-C131 HydrophobicContact CD1-CB 3.52Å; F126-C131 HydrophobicContact CD2-CB 4.17Å; F126-C131 HydrophobicContact CE1-CB 3.93Å; F126-C131 HydrophobicContact CG-CB 3.66Å; F126-C131 HydrophobicContact CZ-CB 4.41Å; D128-C131 WeakPolarHBondContact O-CB 3.49Å; D128-C131 PolarHBondContact O-N 3.4Å; P129-C131 PolarHBondContact O-N 3.09Å; P129-C131 VanDerWaalsContact O-N 3.07Å; C131-V135 WeakPolarHBondContact O-CG2 3.46Å; C131-V135 PolarHBondContact O-N 2.71Å |
| 132 | V | 92.6 | Very high | 92.8 | Very high | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.03 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.1 | -43 | 173.3 | 177.2 | 0 | 0 | 0 | 0 | 110.8 | M80 F126 P129 V130 V135 L136 L152 | M80-V132 HydrophobicContact CE-CG1 3.93Å; M80-V132 HydrophobicContact CG-CB 4.36Å; M80-V132 HydrophobicContact CG-CG1 3.84Å; M80-V132 HydrophobicContact CG-CG2 3.96Å; M80-V132 HydrophobicContact SD-CB 4.26Å; M80-V132 HydrophobicContact SD-CG1 3.91Å; M80-V132 HydrophobicContact SD-CG2 4.3Å; F126-V132 HydrophobicContact CD2-CG2 4.04Å; P129-V132 WeakPolarHBondContact O-CB 3.49Å; P129-V132 WeakPolarHBondContact O-CG2 3.24Å; P129-V132 PolarHBondContact O-N 3.06Å; V130-V132 VanDerWaalsContact C-N 3.31Å; V132-V135 PolarHBondContact O-N 3.34Å; V132-L136 HydrophobicContact CG1-CD1 4.28Å; V132-L136 WeakPolarHBondContact O-CG 3.26Å; V132-L136 PolarHBondContact O-N 3.22Å; V132-L136 VanDerWaalsContact O-N 3.11Å; V132-L152 HydrophobicContact CG1-CD2 3.41Å; V132-L152 VanDerWaalsContact CG1-CD2 3.41Å |
| 133 | E | 92 | Very high | 92.7 | Very high | 119 Ų | 119 | 52.7 Ų | 52.7 | 56% | 0.556 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -65 | -49.4 | 179.8 | -62.6 | 174.3 | 154.9 | 0 | 0 | 110.6 | V135 L136 E137 | E133-V135 PolarHBondContact O-N 2.77Å; E133-L136 PolarHBondContact O-N 3.3Å; E133-E137 WeakPolarHBondContact O-CG 3.38Å; E133-E137 PolarHBondContact O-N 3.43Å |
| 134 | K | 93.2 | Very high | 92.5 | Very high | 93 Ų | 93 | 54.7 Ų | 54.7 | 40% | 0.404 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -54.5 | -37.4 | 174.5 | -63.9 | 173 | -168.6 | 166.7 | 0 | 113.1 | Y101 V130 T138 | Y101-K134 HydrophobicContact CD1-CB 4.5Å; V130-K134 WeakPolarHBondContact O-CG 3.32Å; V130-K134 PolarHBondContact O-N 2.81Å; K134-T138 WeakPolarHBondContact O-CB 3.32Å; K134-T138 PolarHBondContact O-N 3.31Å; K134-T138 PolarHBondContact O-OG1 3.41Å |
| 135 | V | 93.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.6 | -52.8 | 173.9 | 168.9 | 0 | 0 | 0 | 0 | 110 | M80 F98 Y101 F126 C131 V132 E133 E137 T138 H141 P150 | M80-V135 HydrophobicContact CE-CB 4.08Å; M80-V135 HydrophobicContact CE-CG1 3.69Å; M80-V135 HydrophobicContact SD-CB 3.9Å; M80-V135 HydrophobicContact SD-CG1 3.81Å; M80-V135 HydrophobicContact SD-CG2 4.25Å; F98-V135 HydrophobicContact CD1-CG1 4.42Å; F98-V135 HydrophobicContact CD1-CG2 4.01Å; F98-V135 HydrophobicContact CE1-CG1 3.84Å; F98-V135 HydrophobicContact CE1-CG2 4.25Å; Y101-V135 HydrophobicContact CD1-CG2 4.21Å; Y101-V135 HydrophobicContact CD2-CG2 3.54Å; Y101-V135 HydrophobicContact CE2-CG2 4.04Å; Y101-V135 HydrophobicContact CG-CG2 3.64Å; F126-V135 HydrophobicContact CE2-CG2 3.87Å; F126-V135 HydrophobicContact CZ-CG2 3.72Å; C131-V135 WeakPolarHBondContact O-CG2 3.46Å; C131-V135 PolarHBondContact O-N 2.71Å; V132-V135 PolarHBondContact O-N 3.34Å; E133-V135 PolarHBondContact O-N 2.77Å; V135-E137 VanDerWaalsContact C-N 3.26Å; V135-E137 PolarHBondContact O-N 3.36Å; V135-T138 PolarHBondContact O-N 2.76Å; V135-H141 PolarHBondContact O-CE1 3.44Å; V135-H141 VanDerWaalsContact O-CE1 3.32Å; V135-H141 PolarHBondContact O-NE2 2.76Å; V135-P150 HydrophobicContact CG1-CB 3.78Å; V135-P150 HydrophobicContact CG1-CG 3.79Å |
| 136 | L | 92 | Very high | 92.3 | Very high | 70 Ų | 70 | 70 Ų | 70 | 37% | 0.366 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.6 | -35.8 | -177.9 | -65.9 | 170.3 | 0 | 0 | 0 | 112.7 | M80 V132 E133 P150 L152 | M80-L136 HydrophobicContact CE-CD2 3.77Å; M80-L136 HydrophobicContact CE-CG 3.86Å; V132-L136 HydrophobicContact CG1-CD1 4.28Å; V132-L136 WeakPolarHBondContact O-CG 3.26Å; V132-L136 PolarHBondContact O-N 3.22Å; V132-L136 VanDerWaalsContact O-N 3.11Å; E133-L136 PolarHBondContact O-N 3.3Å; L136-P150 WeakPolarHBondContact CD2-O 3.5Å; L136-L152 HydrophobicContact CD1-CD2 3.83Å; L136-L152 HydrophobicContact CD1-CG 4.13Å |
| 137 | E | 92.8 | Very high | 92.3 | Very high | 161 Ų | 161 | 76.9 Ų | 76.9 | 75% | 0.752 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -68.1 | -30.7 | 174.1 | -69.4 | 178.8 | 156.3 | 0 | 0 | 113.5 | E133 V135 A139 | E133-E137 WeakPolarHBondContact O-CG 3.38Å; E133-E137 PolarHBondContact O-N 3.43Å; V135-E137 VanDerWaalsContact C-N 3.26Å; V135-E137 PolarHBondContact O-N 3.36Å; E137-A139 VanDerWaalsContact C-N 3.27Å; E137-A139 PolarHBondContact O-N 2.89Å |
| 138 | T | 91.1 | Very high | 92.3 | Very high | 70 Ų | 70 | 74.6 Ų | 74.6 | 43% | 0.429 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 15.1 | -175.8 | -47.5 | 0 | 0 | 0 | 0 | 113.3 | Y101 K134 V135 | Y101-T138 HydrophobicContact CE1-CG2 3.87Å; Y101-T138 WeakPolarHBondContact OH-CG2 3.39Å; K134-T138 WeakPolarHBondContact O-CB 3.32Å; K134-T138 PolarHBondContact O-N 3.31Å; K134-T138 PolarHBondContact O-OG1 3.41Å; V135-T138 PolarHBondContact O-N 2.76Å |
| 139 | A | 85.8 | Confident | 92.3 | Very high | 64 Ų | 64 | 73.6 Ų | 73.6 | 53% | 0.529 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 138.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | E137 | E137-A139 VanDerWaalsContact C-N 3.27Å; E137-A139 PolarHBondContact O-N 2.89Å |
| 140 | P | 90.6 | Very high | 92.4 | Very high | 89 Ų | 89 | 71.1 Ų | 71.1 | 58% | 0.578 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | cis | -93.5 | 143.6 | 13.9 | 35.4 | -34.8 | 0 | 0 | 0 | 115 | K147 | P140-K147 HydrophobicContact CB-CD 4.5Š|
| 141 | H | 93.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 72.4 Ų | 72.4 | 1% | 0.005 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 145.6 | 174.9 | -56.3 | -90.2 | 0 | 0 | 0 | 112 | Y97 Y101 V135 K147 I148 P150 | Y97-H141 HydrophobicContact CE1-CB 4.04Å; Y97-H141 AromaticContact CE1-ND1 3.85Å; Y97-H141 WeakPolarHBondContact OH-CA 3.14Å; Y97-H141 WeakPolarHBondContact OH-CB 3.46Å; Y101-H141 AromaticContact CZ-CE1 3.74Å; Y101-H141 PolarHBondContact OH-CE1 2.97Å; Y101-H141 VanDerWaalsContact OH-CE1 3.23Å; Y101-H141 PolarHBondContact OH-ND1 3.31Å; V135-H141 PolarHBondContact O-CE1 3.44Å; V135-H141 VanDerWaalsContact O-CE1 3.32Å; V135-H141 PolarHBondContact O-NE2 2.76Å; H141-K147 WeakPolarHBondContact O-CA 3.38Å; H141-I148 HydrophobicContact CB-CD1 3.96Å; H141-I148 HydrophobicContact CB-CG1 3.45Å; H141-I148 VanDerWaalsContact CB-CG1 3.45Å; H141-I148 PolarHBondContact O-N 2.89Å; H141-P150 WeakPolarHBondContact CD2-CG 3.32Å |
| 142 | I | 93.5 | Very high | 92.4 | Very high | 98 Ų | 98 | 77.5 Ų | 77.5 | 50% | 0.503 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 128.7 | 178.4 | -56.7 | 177.5 | 0 | 0 | 0 | 108.1 | Y97 K146 | Y97-I142 WeakPolarHBondContact CE2-O 3.38Å; Y97-I142 PolarHBondContact OH-N 2.77Å; Y97-I142 PolarHBondContact OH-O 2.78Å; I142-K146 WeakPolarHBondContact CA-O 3.42Å |
| 143 | L | 92.5 | Very high | 92.3 | Very high | 17 Ų | 17 | 78.3 Ų | 78.3 | 9% | 0.089 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 139 | 177.4 | 179.2 | 59.4 | 0 | 0 | 0 | 108.3 | L85 T89 L94 Y97 Y145 K146 I148 | L85-L143 HydrophobicContact CD2-CD2 4.35Å; T89-L143 HydrophobicContact CG2-CD2 3.82Å; T89-L143 HydrophobicContact CG2-CG 4.41Å; L94-L143 HydrophobicContact CB-CD2 4.5Å; Y97-L143 HydrophobicContact CD2-CD1 4.02Å; Y97-L143 HydrophobicContact CG-CD1 4.11Å; L143-Y145 VanDerWaalsContact C-N 3.25Å; L143-Y145 PolarHBondContact O-N 3.09Å; L143-K146 PolarHBondContact N-O 3.22Å; L143-K146 WeakPolarHBondContact O-CA 3.32Å; L143-K146 WeakPolarHBondContact O-CB 3.45Å; L143-K146 PolarHBondContact O-N 3.39Å; L143-I148 HydrophobicContact CB-CD1 4.04Å; L143-I148 HydrophobicContact CB-CG2 4.05Å; L143-I148 HydrophobicContact CD2-CD1 4.43Å |
| 144 | D | 91.3 | Very high | 92 | Very high | 65 Ų | 65 | 78.5 Ų | 78.5 | 35% | 0.348 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 43.4 | -175.6 | -54.4 | -23.9 | 0 | 0 | 0 | 113.5 | T89 K146 | T89-D144 VanDerWaalsContact CA-OD2 3.22Å; T89-D144 WeakPolarHBondContact CA-OD2 3.25Å; T89-D144 WeakPolarHBondContact CB-OD2 3.24Å; T89-D144 WeakPolarHBondContact CG2-OD2 3.37Å; T89-D144 PolarHBondContact OG1-OD2 3.1Å; D144-K146 PolarHBondContact O-N 2.56Å; D144-K146 VanDerWaalsContact O-N 3.08Å |
| 145 | Y | 91.3 | Very high | 91.4 | Very high | 240 Ų | 240 | 77.2 Ų | 77.2 | 94% | 0.941 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 13.2 | -174.1 | -53.5 | -84.3 | 0 | 0 | 0 | 115.5 | L143 | L143-Y145 VanDerWaalsContact C-N 3.25Å; L143-Y145 PolarHBondContact O-N 3.09Å |
| 146 | K | 93.5 | Very high | 90.2 | Very high | 83 Ų | 83 | 83.2 Ų | 83.2 | 36% | 0.361 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 133.6 | -176.8 | -164.9 | 160.6 | 178.8 | -79.9 | 0 | 110.5 | G84 L85 I142 L143 D144 I148 | G84-K146 VanDerWaalsContact C-NZ 3.29Å; G84-K146 PolarHBondContact O-NZ 3.43Å; L85-K146 PolarHBondContact O-NZ 3.01Å; I142-K146 WeakPolarHBondContact CA-O 3.42Å; L143-K146 PolarHBondContact N-O 3.22Å; L143-K146 WeakPolarHBondContact O-CA 3.32Å; L143-K146 WeakPolarHBondContact O-CB 3.45Å; L143-K146 PolarHBondContact O-N 3.39Å; D144-K146 PolarHBondContact O-N 2.56Å; D144-K146 VanDerWaalsContact O-N 3.08Å; K146-I148 PolarHBondContact O-N 3.42Å |
| 147 | K | 93.8 | Very high | 88.9 | Confident | 150 Ų | 150 | 88 Ų | 88 | 65% | 0.652 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 125.3 | 174.1 | -175 | 175.6 | 178.2 | 175.1 | 0 | 109.3 | P140 H141 | P140-K147 HydrophobicContact CB-CD 4.5Å; H141-K147 WeakPolarHBondContact O-CA 3.38Å |
| 148 | I | 94.8 | Very high | 87.1 | Confident | 3 Ų | 3 | 86 Ų | 86 | 2% | 0.015 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 156.7 | 176.2 | 69.8 | 178.2 | 0 | 0 | 0 | 110.3 | I82 G83 L85 Y97 F98 H141 L143 K146 P150 | I82-I148 HydrophobicContact CG2-CD1 4.14Å; G83-I148 WeakPolarHBondContact O-CA 3.45Å; G83-I148 WeakPolarHBondContact O-CB 3.44Å; L85-I148 HydrophobicContact CD2-CG2 4.2Å; Y97-I148 HydrophobicContact CD1-CD1 4.29Å; Y97-I148 HydrophobicContact CE1-CD1 4.08Å; F98-I148 HydrophobicContact CE2-CD1 3.8Å; F98-I148 HydrophobicContact CZ-CD1 3.61Å; H141-I148 HydrophobicContact CB-CD1 3.96Å; H141-I148 HydrophobicContact CB-CG1 3.45Å; H141-I148 VanDerWaalsContact CB-CG1 3.45Å; H141-I148 PolarHBondContact O-N 2.89Å; L143-I148 HydrophobicContact CB-CD1 4.04Å; L143-I148 HydrophobicContact CB-CG2 4.05Å; L143-I148 HydrophobicContact CD2-CD1 4.43Å; K146-I148 PolarHBondContact O-N 3.42Å; I148-P150 WeakPolarHBondContact O-CD 3.42Å |
| 149 | D | 93 | Very high | 85.4 | Confident | 73 Ų | 73 | 84.6 Ų | 84.6 | 39% | 0.39 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 79.3 | -168.5 | 179.7 | 35.6 | 0 | 0 | 0 | 109 | G83 K151 | G83-D149 PolarHBondContact N-O 3.46Å; G83-D149 PolarHBondContact O-N 3.04Å; D149-K151 VanDerWaalsContact CG-NZ 3.26Å; D149-K151 WeakPolarHBondContact OD1-CE 3.2Å; D149-K151 IonicContact OD1-NZ 2.84Å; D149-K151 PolarHBondContact OD1-NZ 2.92Å; D149-K151 VanDerWaalsContact OD1-NZ 3.07Å; D149-K151 WeakPolarHBondContact OD2-CE 3.21Å; D149-K151 IonicContact OD2-NZ 3.39Å; D149-K151 PolarHBondContact OD2-NZ 2.9Å |
| 150 | P | 93.8 | Very high | 83.7 | Confident | 12 Ų | 12 | 88.7 Ų | 88.7 | 8% | 0.078 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 131.5 | 177.6 | 30.8 | -31.9 | 0 | 0 | 0 | 110.5 | M80 F81 I82 F98 V135 L136 H141 I148 | M80-P150 HydrophobicContact CE-CB 4.01Å; F81-P150 WeakPolarHBondContact O-CA 3.15Å; I82-P150 HydrophobicContact CD1-CB 3.73Å; F98-P150 HydrophobicContact CE1-CB 4.45Å; F98-P150 HydrophobicContact CZ-CB 4.41Å; V135-P150 HydrophobicContact CG1-CB 3.78Å; V135-P150 HydrophobicContact CG1-CG 3.79Å; L136-P150 WeakPolarHBondContact CD2-O 3.5Å; H141-P150 WeakPolarHBondContact CD2-CG 3.32Å; I148-P150 WeakPolarHBondContact O-CD 3.42Å |
| 151 | K | 93.2 | Very high | 81.7 | Confident | 105 Ų | 105 | 92.5 Ų | 92.5 | 46% | 0.457 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 158.2 | -178.4 | -76.8 | 170.3 | 172.1 | 154.5 | 0 | 110 | M80 F81 D149 A153 | M80-K151 CarbonylContact C-O 3.6Å; M80-K151 WeakPolarHBondContact CA-O 3.39Å; M80-K151 WeakPolarHBondContact CB-O 3.35Å; F81-K151 PolarHBondContact N-O 3.37Å; F81-K151 PolarHBondContact O-N 2.9Å; D149-K151 VanDerWaalsContact CG-NZ 3.26Å; D149-K151 WeakPolarHBondContact OD1-CE 3.2Å; D149-K151 IonicContact OD1-NZ 2.84Å; D149-K151 PolarHBondContact OD1-NZ 2.92Å; D149-K151 VanDerWaalsContact OD1-NZ 3.07Å; D149-K151 WeakPolarHBondContact OD2-CE 3.21Å; D149-K151 IonicContact OD2-NZ 3.39Å; D149-K151 PolarHBondContact OD2-NZ 2.9Å; K151-A153 PolarHBondContact O-N 3.28Å |
| 152 | L | 92.4 | Very high | 79.6 | Confident | 110 Ų | 110 | 97.2 Ų | 97.2 | 58% | 0.576 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -53.3 | 134.1 | 168.4 | -61.5 | 178.3 | 0 | 0 | 0 | 109.7 | V132 L136 V154 | V132-L152 HydrophobicContact CG1-CD2 3.41Å; V132-L152 VanDerWaalsContact CG1-CD2 3.41Å; L136-L152 HydrophobicContact CD1-CD2 3.83Å; L136-L152 HydrophobicContact CD1-CG 4.13Å; L152-V154 PolarHBondContact O-N 3.24Å; L152-V154 VanDerWaalsContact O-N 3.16Å |
| 153 | A | 89.6 | Confident | 77.5 | Confident | 22 Ų | 22 | 101.6 Ų | 101.6 | 18% | 0.182 | 51% | 0.513 | C | S | . | . | trans | -70.2 | 112.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | K79 F123 K151 P155 | K79-A153 HydrophobicContact CB-CB 3.91Å; K79-A153 HydrophobicContact CD-CB 4.37Å; K79-A153 HydrophobicContact CG-CB 3.88Å; K79-A153 WeakPolarHBondContact O-CB 3.3Å; K79-A153 PolarHBondContact O-N 3.14Å; F123-A153 HydrophobicContact CD1-CB 4.43Å; K151-A153 PolarHBondContact O-N 3.28Å; A153-P155 WeakPolarHBondContact O-CD 3.38Å | ||
| 154 | V | 86.2 | Confident | 75.4 | Confident | 123 Ų | 123 | 106.2 Ų | 106.2 | 75% | 0.745 | 54% | 0.542 | S | S | * | . | trans | -62.6 | 123.3 | 171.2 | 178.9 | 0 | 0 | 0 | 0 | 108.3 | L152 R156 | L152-V154 PolarHBondContact O-N 3.24Å; L152-V154 VanDerWaalsContact O-N 3.16Å; V154-R156 PolarHBondContact O-N 3.14Å; V154-R156 VanDerWaalsContact O-N 3.11Å | ||
| 155 | P | 79.8 | Confident | 73.8 | Confident | 65 Ų | 65 | 106.1 Ų | 106.1 | 42% | 0.422 | 55% | 0.546 | S | S | . | . | trans | -63.6 | 116.8 | -175.4 | 23.9 | -34 | 0 | 0 | 0 | 110.5 | S74 A153 K157 | S74-P155 WeakPolarHBondContact O-CA 3.19Å; S74-P155 WeakPolarHBondContact O-CB 3.36Å; A153-P155 WeakPolarHBondContact O-CD 3.38Å; P155-K157 PolarHBondContact O-N 3.15Å | ||
| 156 | R | 70.6 | Confident | 72.5 | Confident | 126 Ų | 126 | 97.5 Ų | 97.5 | 48% | 0.475 | 52% | 0.519 | S | S | . | . | trans | -71.9 | 100.6 | 178.8 | -64.2 | -166.2 | -56.9 | -125.6 | 2.8 | 108.8 | S74 V154 S158 | S74-R156 VanDerWaalsContact CB-O 3.31Å; S74-R156 WeakPolarHBondContact CB-O 3.43Å; S74-R156 PolarHBondContact OG-O 2.73Å; V154-R156 PolarHBondContact O-N 3.14Å; V154-R156 VanDerWaalsContact O-N 3.11Å; R156-S158 PolarHBondContact O-N 3.01Å | ||
| 157 | K | 63 | Low | 71.3 | Confident | 172 Ų | 172 | 100.3 Ų | 100.3 | 75% | 0.748 | 53% | 0.531 | S | S | * | . | trans | -48.9 | 114.3 | 167.8 | -64.4 | -174.2 | 179.3 | -174.7 | 0 | 108.1 | P155 G159 Q160 | P155-K157 PolarHBondContact O-N 3.15Å; K157-G159 PolarHBondContact O-N 3.29Å; K157-Q160 WeakPolarHBondContact O-CB 3.44Å; K157-Q160 PolarHBondContact O-N 3.08Å | ||
| 158 | S | 56.5 | Low | 70.8 | Confident | 117 Ų | 117 | 94.4 Ų | 94.4 | 82% | 0.818 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -26.8 | -154.6 | 53.6 | 0 | 0 | 0 | 0 | 115 | R156 Q160 | R156-S158 PolarHBondContact O-N 3.01Å; S158-Q160 PolarHBondContact O-N 3.24Å |
| 159 | G | 53.6 | Low | 70.6 | Confident | 42 Ų | 42 | 98.7 Ų | 98.7 | 43% | 0.433 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -2.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 117 | K157 N161 T162 | K157-G159 PolarHBondContact O-N 3.29Å; G159-N161 VanDerWaalsContact C-N 3.29Å; G159-N161 PolarHBondContact O-N 2.96Å; G159-T162 PolarHBondContact O-N 2.96Å |
| 160 | Q | 50.5 | Low | 70.5 | Confident | 149 Ų | 149 | 98.4 Ų | 98.4 | 70% | 0.696 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -20.7 | -166 | -160.7 | 171.6 | 14.2 | 0 | 0 | 115.2 | K157 S158 | K157-Q160 WeakPolarHBondContact O-CB 3.44Å; K157-Q160 PolarHBondContact O-N 3.08Å; S158-Q160 PolarHBondContact O-N 3.24Å |
| 161 | N | 48.6 | Very low | 70.5 | Confident | 170 Ų | 170 | 97.9 Ų | 97.9 | 91% | 0.909 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -15.1 | 170.5 | -111.4 | -5 | 0 | 0 | 0 | 113.1 | G159 K163 | G159-N161 VanDerWaalsContact C-N 3.29Å; G159-N161 PolarHBondContact O-N 2.96Å; N161-K163 PolarHBondContact O-N 2.73Å |
| 162 | T | 50.2 | Low | 70.5 | Confident | 99 Ų | 99 | 95.2 Ų | 95.2 | 61% | 0.607 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -95.6 | 75.7 | -180 | -52.9 | 0 | 0 | 0 | 0 | 110 | G159 V164 | G159-T162 PolarHBondContact O-N 2.96Å; T162-V164 PolarHBondContact O-N 2.95Å |
| 163 | K | 48.5 | Very low | 70.6 | Confident | 190 Ų | 190 | 90 Ų | 90 | 83% | 0.826 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 31.1 | 69.5 | 169.6 | -67.3 | 179.3 | -178.4 | 166 | 0 | 115 | N161 S165 | N161-K163 PolarHBondContact O-N 2.73Å; K163-S165 VanDerWaalsContact C-N 3.35Å; K163-S165 PolarHBondContact O-N 3.41Å |
| 164 | V | 50 | Low | 70.8 | Confident | 115 Ų | 115 | 89.3 Ų | 89.3 | 70% | 0.697 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 29.9 | 66 | 166.4 | -170.4 | 0 | 0 | 0 | 0 | 112.8 | T162 T166 | T162-V164 PolarHBondContact O-N 2.95Å; V164-T166 HydrophobicContact CG1-CG2 4.19Å; V164-T166 PolarHBondContact O-N 2.78Å |
| 165 | S | 57.3 | Low | 71.1 | Confident | 62 Ų | 62 | 85 Ų | 85 | 43% | 0.434 | 45% | 0.452 | S | S | . | . | trans | -70.8 | 72.6 | 169.8 | -82.3 | 0 | 0 | 0 | 0 | 109.6 | K163 K167 K243 | K163-S165 VanDerWaalsContact C-N 3.35Å; K163-S165 PolarHBondContact O-N 3.41Å; S165-K167 PolarHBondContact O-N 2.88Å; S165-K243 PolarHBondContact OG-NZ 3.24Å | ||
| 166 | T | 62.8 | Low | 71.8 | Confident | 60 Ų | 60 | 82 Ų | 82 | 37% | 0.368 | 43% | 0.432 | S | S | . | . | trans | -52.9 | 123.7 | 154.7 | 40.7 | 0 | 0 | 0 | 0 | 107 | V164 T168 | V164-T166 HydrophobicContact CG1-CG2 4.19Å; V164-T166 PolarHBondContact O-N 2.78Å; T166-T168 VanDerWaalsContact C-N 3.34Å; T166-T168 PolarHBondContact O-N 2.89Å; T166-T168 PolarHBondContact O-OG1 3.06Å | ||
| 167 | K | 69.7 | Low | 72.8 | Confident | 141 Ų | 141 | 76.6 Ų | 76.6 | 61% | 0.613 | 42% | 0.415 | S | S | * | . | trans | -65.5 | 91.9 | 177 | -74.3 | -158.3 | 136.9 | -72.1 | 0 | 109.3 | S165 E220 E224 | S165-K167 PolarHBondContact O-N 2.88Å; K167-E220 WeakPolarHBondContact CA-OE1 3.46Å; K167-E220 VanDerWaalsContact CB-CD 3.5Å; K167-E220 WeakPolarHBondContact CB-OE1 3.33Å; K167-E220 WeakPolarHBondContact CD-OE2 3.46Å; K167-E220 WeakPolarHBondContact CG-OE1 3.16Å; K167-E220 IonicContact NZ-OE1 2.67Å; K167-E220 PolarHBondContact NZ-OE1 2.96Å; K167-E220 IonicContact NZ-OE2 3.07Å; K167-E220 PolarHBondContact NZ-OE2 2.77Å; K167-E224 IonicContact NZ-OE2 2.72Å; K167-E224 PolarHBondContact NZ-OE2 2.79Å; K167-E224 VanDerWaalsContact NZ-OE2 3.12Å | ||
| 168 | T | 82.7 | Confident | 74 | Confident | 26 Ų | 26 | 72.6 Ų | 72.6 | 16% | 0.16 | 41% | 0.405 | C | S | . | . | trans | -124.5 | 116.6 | -169.6 | 52.4 | 0 | 0 | 0 | 0 | 111.1 | T166 R170 | T166-T168 VanDerWaalsContact C-N 3.34Å; T166-T168 PolarHBondContact O-N 2.89Å; T166-T168 PolarHBondContact O-OG1 3.06Å; T168-R170 PolarHBondContact O-N 2.88Å; T168-R170 PolarHBondContact OG1-O 2.77Å | ||
| 169 | K | 90.4 | Very high | 75.6 | Confident | 93 Ų | 93 | 74.5 Ų | 74.5 | 40% | 0.404 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -53 | -20.7 | 165.6 | -70.4 | -173.5 | 177.7 | -153.6 | 0 | 114.4 | T216 F217 E218 | K169-T216 HydrophobicContact CB-CG2 4.13Å; K169-T216 WeakPolarHBondContact O-CA 3.3Å; K169-F217 WeakPolarHBondContact CB-O 3.27Å; K169-F217 WeakPolarHBondContact CD-O 3.45Å; K169-F217 PolarHBondContact O-N 2.73Å; K169-E218 WeakPolarHBondContact CE-O 3.17Å; K169-E218 PolarHBondContact NZ-O 3.36Å |
| 170 | R | 92.1 | Very high | 77.3 | Confident | 68 Ų | 68 | 72.6 Ų | 72.6 | 26% | 0.257 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 127.5 | -176.2 | -167.4 | 171 | 170.6 | 127.5 | -0.3 | 111.4 | T168 E199 F214 V215 T216 A244 | T168-R170 PolarHBondContact O-N 2.88Å; T168-R170 PolarHBondContact OG1-O 2.77Å; R170-E199 IonicContact CZ-OE2 3.5Å; R170-E199 IonicContact NH1-OE2 2.67Å; R170-E199 PolarHBondContact NH1-OE2 3.24Å; R170-E199 IonicContact NH2-OE2 2.8Å; R170-E199 PolarHBondContact NH2-OE2 2.97Å; R170-F214 HydrophobicContact CG-CB 4.32Å; R170-F214 HydrophobicContact CG-CD1 4.38Å; R170-F214 VanDerWaalsContact NH2-CB 3.3Å; R170-V215 CarbonylContact C-O 3.45Å; R170-V215 WeakPolarHBondContact CA-O 3.29Å; R170-T216 HydrophobicContact CB-CG2 4.41Å; R170-A244 HydrophobicContact CB-CB 4.07Å; R170-A244 HydrophobicContact CG-CB 3.83Å; R170-A244 WeakPolarHBondContact O-CB 3.35Å; R170-A244 PolarHBondContact O-N 2.94Å |
| 171 | V | 93.2 | Very high | 79.2 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 139.7 | 175.4 | -173.6 | 0 | 0 | 0 | 0 | 108.8 | I173 F214 V215 F217 A223 V226 A241 K242 | V171-I173 HydrophobicContact CB-CD1 4.32Å; V171-I173 HydrophobicContact CG1-CD1 3.62Å; V171-F214 VanDerWaalsContact O-CA 3.27Å; V171-F214 WeakPolarHBondContact O-CA 3.46Å; V171-V215 PolarHBondContact N-O 2.93Å; V171-V215 PolarHBondContact O-N 2.98Å; V171-F217 HydrophobicContact CB-CE2 4.42Å; V171-F217 HydrophobicContact CG2-CD2 3.99Å; V171-F217 HydrophobicContact CG2-CE2 3.74Å; V171-A223 HydrophobicContact CG2-CB 3.6Å; V171-V226 HydrophobicContact CG1-CG1 4Å; V171-V226 HydrophobicContact CG2-CG1 4.47Å; V171-A241 HydrophobicContact CG1-CB 4.21Å; V171-K242 CarbonylContact C-O 3.59Å; V171-K242 WeakPolarHBondContact CG1-O 3.45Å |
| 172 | F | 93.5 | Very high | 81.3 | Confident | 49 Ų | 49 | 63.1 Ų | 63.1 | 22% | 0.215 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 128.2 | 166.7 | 168.4 | -90.5 | 0 | 0 | 0 | 108.8 | F212 F214 K242 A244 | F172-F212 HydrophobicContact CD2-CD2 4.46Å; F172-F212 HydrophobicContact CE2-CB 3.89Å; F172-F212 AromaticContact CE2-CD2 3.66Å; F172-F212 HydrophobicContact CE2-CD2 3.66Å; F172-F212 HydrophobicContact CE2-CE2 4.44Å; F172-F212 HydrophobicContact CE2-CG 4Å; F172-F212 HydrophobicContact CZ-CB 3.91Å; F172-F212 HydrophobicContact CZ-CD2 4.44Å; F172-F212 HydrophobicContact CZ-CG 4.35Å; F172-F214 HydrophobicContact CB-CD1 4.29Å; F172-F214 HydrophobicContact CB-CE1 4.21Å; F172-F214 HydrophobicContact CD2-CD1 4.41Å; F172-F214 AromaticContact CD2-CE1 3.86Å; F172-F214 HydrophobicContact CD2-CE1 3.86Å; F172-F214 HydrophobicContact CD2-CZ 4.15Å; F172-K242 HydrophobicContact CD1-CB 4.39Å; F172-K242 PolarHBondContact N-O 3.34Å; F172-K242 PolarHBondContact O-N 2.95Å; F172-A244 HydrophobicContact CB-CB 4.31Å |
| 173 | I | 93.8 | Very high | 83.3 | Confident | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.01 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 108.8 | -179 | -57.5 | -55.6 | 0 | 0 | 0 | 107.6 | V171 V176 L185 F189 F212 G213 V215 V239 A241 | V171-I173 HydrophobicContact CB-CD1 4.32Å; V171-I173 HydrophobicContact CG1-CD1 3.62Å; I173-V176 HydrophobicContact CG2-CG2 3.9Å; I173-L185 HydrophobicContact CG2-CD2 4.29Å; I173-F189 HydrophobicContact CD1-CE1 4.04Å; I173-F189 HydrophobicContact CD1-CE2 3.84Å; I173-F189 HydrophobicContact CD1-CZ 3.56Å; I173-F189 HydrophobicContact CG1-CE2 4Å; I173-F189 HydrophobicContact CG1-CZ 4.23Å; I173-F189 HydrophobicContact CG2-CE2 4Å; I173-F189 HydrophobicContact CG2-CZ 4.27Å; I173-F212 CarbonylContact O-C 3.51Å; I173-F212 WeakPolarHBondContact O-CA 3.44Å; I173-F212 WeakPolarHBondContact O-CB 3.5Å; I173-G213 PolarHBondContact N-O 2.98Å; I173-G213 PolarHBondContact O-N 2.88Å; I173-V215 HydrophobicContact CG1-CB 4.37Å; I173-V215 HydrophobicContact CG1-CG2 3.81Å; I173-V239 HydrophobicContact CG2-CG1 3.29Å; I173-A241 HydrophobicContact CD1-CB 4.11Å |
| 174 | G | 93.6 | Very high | 85.4 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 6% | 0.062 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 154.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V239 E240 | G174-V239 CarbonylContact O-C 3.6Å; G174-V239 WeakPolarHBondContact O-CA 3.42Å; G174-V239 WeakPolarHBondContact O-CG1 3.25Å; G174-E240 PolarHBondContact N-O 3.28Å; G174-E240 PolarHBondContact O-N 3.25Å |
| 175 | G | 92.8 | Very high | 87.4 | Confident | 33 Ų | 33 | 54 Ų | 54 | 34% | 0.34 | 28% | 0.283 | S | S | . | . | trans | 84.1 | 7.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | G211 K237 | G175-G211 CarbonylContact C-O 3.49Å; G175-G211 PolarHBondContact N-O 3.38Å; G175-K237 VanDerWaalsContact O-CD 3.24Å; G175-K237 WeakPolarHBondContact O-CD 3.2Å; G175-K237 WeakPolarHBondContact O-CE 3.44Å; G175-K237 PolarHBondContact O-NZ 3.23Å | ||
| 176 | V | 93.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | trans | -47.8 | 139.4 | 177.9 | -173.9 | 0 | 0 | 0 | 0 | 111.9 | I173 T180 L185 L200 H209 G211 K237 V239 | I173-V176 HydrophobicContact CG2-CG2 3.9Å; V176-T180 HydrophobicContact CG1-CG2 3.98Å; V176-L185 HydrophobicContact CG1-CD1 4.16Å; V176-L185 HydrophobicContact CG1-CD2 4.49Å; V176-L185 HydrophobicContact CG2-CD1 4.4Å; V176-L185 HydrophobicContact CG2-CD2 4.39Å; V176-L200 HydrophobicContact CG1-CD1 4.38Å; V176-L200 HydrophobicContact CG2-CD1 4.48Å; V176-H209 WeakPolarHBondContact CB-CE1 3.44Å; V176-H209 WeakPolarHBondContact CG1-CE1 3.43Å; V176-H209 PolarHBondContact O-CE1 3.17Å; V176-G211 PolarHBondContact N-O 3.48Å; V176-K237 PolarHBondContact O-NZ 3.32Å; V176-V239 HydrophobicContact CG2-CG1 4.35Å | ||
| 177 | A | 92.3 | Very high | 90.6 | Very high | 13 Ų | 13 | 57.4 Ų | 57.4 | 11% | 0.107 | 29% | 0.292 | C | S | . | . | trans | -73.2 | 143.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q179 T180 H209 H235 K237 | A177-Q179 PolarHBondContact O-N 2.9Å; A177-T180 WeakPolarHBondContact O-CB 3.35Å; A177-T180 PolarHBondContact O-N 3.02Å; A177-T180 PolarHBondContact O-OG1 2.59Å; A177-H209 VanDerWaalsContact C-NE2 3.3Å; A177-H209 PolarHBondContact N-CE1 3.2Å; A177-H209 PolarHBondContact O-CE1 3.12Å; A177-H209 PolarHBondContact O-NE2 2.92Å; A177-H235 HydrophobicContact CB-CB 4.09Å; A177-K237 HydrophobicContact CB-CB 4.32Å; A177-K237 HydrophobicContact CB-CD 3.74Å | ||
| 178 | T | 89.2 | Confident | 91.7 | Very high | 88 Ų | 88 | 53.6 Ų | 53.6 | 54% | 0.54 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | 0.2 | -171.3 | 51.1 | 0 | 0 | 0 | 0 | 115.5 | H209 | T178-H209 VanDerWaalsContact CA-NE2 3.31Å; T178-H209 WeakPolarHBondContact CA-NE2 3.29Å |
| 179 | Q | 88.7 | Confident | 92.2 | Very high | 158 Ų | 158 | 52.3 Ų | 52.3 | 74% | 0.738 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | -22.7 | 175.3 | -60.8 | 175.8 | 9.5 | 0 | 0 | 111.8 | A177 H209 | A177-Q179 PolarHBondContact O-N 2.9Å; Q179-H209 PolarHBondContact N-NE2 3.21Å |
| 180 | T | 89.5 | Confident | 92.4 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.012 | 27% | 0.269 | C | S | . | . | trans | -70.3 | 129.9 | -170.2 | -53.9 | 0 | 0 | 0 | 0 | 112 | V176 A177 E184 L185 H209 H235 | V176-T180 HydrophobicContact CG1-CG2 3.98Å; A177-T180 WeakPolarHBondContact O-CB 3.35Å; A177-T180 PolarHBondContact O-N 3.02Å; A177-T180 PolarHBondContact O-OG1 2.59Å; T180-E184 WeakPolarHBondContact CA-OE2 3.48Å; T180-E184 HydrophobicContact CG2-CB 4.18Å; T180-E184 VanDerWaalsContact CG2-OE2 3.25Å; T180-E184 WeakPolarHBondContact CG2-OE2 3.44Å; T180-L185 HydrophobicContact CG2-CD2 4.32Å; T180-L185 HydrophobicContact CG2-CG 3.97Å; T180-H209 PolarHBondContact N-NE2 3.24Å; T180-H209 PolarHBondContact O-NE2 2.91Å; T180-H235 PolarHBondContact OG1-ND1 2.8Å; T180-H235 VanDerWaalsContact OG1-ND1 3.13Å | ||
| 181 | T | 91.5 | Very high | 92.4 | Very high | 57 Ų | 57 | 53.8 Ų | 53.8 | 35% | 0.35 | 29% | 0.285 | S | S | . | . | trans | -85.2 | 172.7 | -179.7 | 66.9 | 0 | 0 | 0 | 0 | 112.9 | E183 E184 L185 | T181-E183 VanDerWaalsContact C-N 3.3Å; T181-E183 PolarHBondContact OG1-N 2.73Å; T181-E184 VanDerWaalsContact CB-OE1 3.28Å; T181-E184 WeakPolarHBondContact CB-OE1 3.43Å; T181-E184 WeakPolarHBondContact CG2-OE1 3.08Å; T181-E184 VanDerWaalsContact N-CD 3.35Å; T181-E184 PolarHBondContact N-OE1 3.28Å; T181-E184 PolarHBondContact N-OE2 3.25Å; T181-E184 WeakPolarHBondContact OG1-CG 3.42Å; T181-E184 PolarHBondContact OG1-N 2.78Å; T181-E184 PolarHBondContact OG1-OE1 3.18Å; T181-L185 WeakPolarHBondContact O-CD1 3.18Å; T181-L185 WeakPolarHBondContact O-CG 3.12Å | ||
| 182 | N | 91.7 | Very high | 92.3 | Very high | 62 Ų | 62 | 55.8 Ų | 55.8 | 33% | 0.332 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -69.2 | -30.1 | 171.2 | 177.9 | -116.6 | 0 | 0 | 0 | 112.1 | S186 C198 L200 | N182-S186 WeakPolarHBondContact O-CB 3.41Å; N182-S186 PolarHBondContact O-N 2.67Å; N182-C198 PolarHBondContact ND2-O 3.29Å; N182-C198 PolarHBondContact ND2-SG 2.72Å; N182-L200 HydrophobicContact CB-CB 4.32Å |
| 183 | E | 92.8 | Very high | 92.3 | Very high | 152 Ų | 152 | 54.4 Ų | 54.4 | 71% | 0.71 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -71 | -48.4 | -178.3 | -67.4 | 170.3 | -159.9 | 0 | 0 | 111 | T181 L185 S186 E187 | T181-E183 VanDerWaalsContact C-N 3.3Å; T181-E183 PolarHBondContact OG1-N 2.73Å; E183-L185 VanDerWaalsContact C-N 3.31Å; E183-L185 PolarHBondContact O-N 3.25Å; E183-S186 CarbonylContact O-C 3.51Å; E183-S186 WeakPolarHBondContact O-CA 3.43Å; E183-S186 WeakPolarHBondContact O-CB 3.28Å; E183-S186 PolarHBondContact O-N 2.87Å; E183-E187 PolarHBondContact O-N 3.31Å |
| 184 | E | 92.2 | Very high | 92.3 | Very high | 55 Ų | 55 | 60.5 Ų | 60.5 | 26% | 0.257 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.8 | -39.5 | 174.7 | -67.3 | 144 | -133.7 | 0 | 0 | 112.7 | T180 T181 S186 Y188 H235 | T180-E184 WeakPolarHBondContact CA-OE2 3.48Å; T180-E184 HydrophobicContact CG2-CB 4.18Å; T180-E184 VanDerWaalsContact CG2-OE2 3.25Å; T180-E184 WeakPolarHBondContact CG2-OE2 3.44Å; T181-E184 VanDerWaalsContact CB-OE1 3.28Å; T181-E184 WeakPolarHBondContact CB-OE1 3.43Å; T181-E184 WeakPolarHBondContact CG2-OE1 3.08Å; T181-E184 VanDerWaalsContact N-CD 3.35Å; T181-E184 PolarHBondContact N-OE1 3.28Å; T181-E184 PolarHBondContact N-OE2 3.25Å; T181-E184 WeakPolarHBondContact OG1-CG 3.42Å; T181-E184 PolarHBondContact OG1-N 2.78Å; T181-E184 PolarHBondContact OG1-OE1 3.18Å; E184-S186 VanDerWaalsContact C-N 3.33Å; E184-Y188 VanDerWaalsContact O-CB 3.27Å; E184-Y188 WeakPolarHBondContact O-CB 3.22Å; E184-Y188 PolarHBondContact O-N 2.68Å; E184-H235 IonicContact OE2-CE1 2.96Å; E184-H235 PolarHBondContact OE2-CE1 3.21Å; E184-H235 IonicContact OE2-ND1 3.76Å; E184-H235 IonicContact OE2-NE2 3.62Å |
| 185 | L | 92.2 | Very high | 92.3 | Very high | 7 Ų | 7 | 61.8 Ų | 61.8 | 4% | 0.037 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.1 | -39.4 | 173.3 | -73.4 | 167.8 | 0 | 0 | 0 | 111.2 | I173 V176 T180 T181 E183 F189 L200 L234 | I173-L185 HydrophobicContact CG2-CD2 4.29Å; V176-L185 HydrophobicContact CG1-CD1 4.16Å; V176-L185 HydrophobicContact CG1-CD2 4.49Å; V176-L185 HydrophobicContact CG2-CD1 4.4Å; V176-L185 HydrophobicContact CG2-CD2 4.39Å; T180-L185 HydrophobicContact CG2-CD2 4.32Å; T180-L185 HydrophobicContact CG2-CG 3.97Å; T181-L185 WeakPolarHBondContact O-CD1 3.18Å; T181-L185 WeakPolarHBondContact O-CG 3.12Å; E183-L185 VanDerWaalsContact C-N 3.31Å; E183-L185 PolarHBondContact O-N 3.25Å; L185-F189 HydrophobicContact CD2-CD2 4.44Å; L185-F189 HydrophobicContact CD2-CE2 3.96Å; L185-F189 WeakPolarHBondContact O-CB 3.03Å; L185-F189 WeakPolarHBondContact O-CD2 3.29Å; L185-F189 PolarHBondContact O-N 3.19Å; L185-L200 HydrophobicContact CD1-CD1 3.83Å; L185-L200 HydrophobicContact CD1-CD2 4.23Å; L185-L200 HydrophobicContact CD1-CG 4.43Å; L185-L234 HydrophobicContact CD2-CD1 3.73Å |
| 186 | S | 93.2 | Very high | 92.4 | Very high | 38 Ų | 38 | 66.2 Ų | 66.2 | 27% | 0.266 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.9 | -50.6 | 177.1 | -153.6 | 0 | 0 | 0 | 0 | 110.9 | N182 E183 E184 F189 S190 L195 C198 | N182-S186 WeakPolarHBondContact O-CB 3.41Å; N182-S186 PolarHBondContact O-N 2.67Å; E183-S186 CarbonylContact O-C 3.51Å; E183-S186 WeakPolarHBondContact O-CA 3.43Å; E183-S186 WeakPolarHBondContact O-CB 3.28Å; E183-S186 PolarHBondContact O-N 2.87Å; E184-S186 VanDerWaalsContact C-N 3.33Å; S186-F189 PolarHBondContact O-N 3.06Å; S186-S190 VanDerWaalsContact O-CB 3.26Å; S186-S190 WeakPolarHBondContact O-CB 3.26Å; S186-S190 PolarHBondContact O-N 3.5Å; S186-L195 VanDerWaalsContact O-CD1 3.32Å; S186-L195 WeakPolarHBondContact O-CD1 3.46Å; S186-C198 PolarHBondContact OG-SG 2.83Å |
| 187 | E | 94.1 | Very high | 92.4 | Very high | 154 Ų | 154 | 69.2 Ų | 69.2 | 72% | 0.72 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -61 | -49.8 | 179.3 | -174.6 | 172.1 | -154 | 0 | 0 | 111.5 | E183 F189 S190 | E183-E187 PolarHBondContact O-N 3.31Å; E187-F189 PolarHBondContact O-N 2.98Å; E187-S190 WeakPolarHBondContact O-CB 3.45Å; E187-S190 PolarHBondContact O-N 2.81Å |
| 188 | Y | 93.2 | Very high | 92.5 | Very high | 61 Ų | 61 | 69.8 Ų | 69.8 | 24% | 0.239 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 178.7 | -178.7 | -88.6 | 0 | 0 | 0 | 112.8 | E184 Q191 F192 H232 L234 | E184-Y188 VanDerWaalsContact O-CB 3.27Å; E184-Y188 WeakPolarHBondContact O-CB 3.22Å; E184-Y188 PolarHBondContact O-N 2.68Å; Y188-Q191 VanDerWaalsContact CE2-NE2 3.31Å; Y188-Q191 VanDerWaalsContact O-CG 3.24Å; Y188-Q191 WeakPolarHBondContact O-CG 3.46Å; Y188-Q191 PolarHBondContact O-NE2 2.97Å; Y188-F192 HydrophobicContact CD1-CE2 4.34Å; Y188-F192 AromaticContact CE1-CE2 3.86Å; Y188-F192 HydrophobicContact CE1-CE2 3.86Å; Y188-F192 HydrophobicContact CE1-CZ 4.37Å; Y188-H232 HydrophobicContact CE1-CB 3.73Å; Y188-H232 AromaticContact CE1-CG 3.79Å; Y188-H232 AromaticContact CE1-ND1 3.49Å; Y188-H232 WeakPolarHBondContact CE1-ND1 3.39Å; Y188-H232 AromaticContact CZ-ND1 3.73Å; Y188-H232 WeakPolarHBondContact OH-CB 3.21Å; Y188-H232 PolarHBondContact OH-ND1 2.94Å; Y188-L234 HydrophobicContact CD1-CD1 4.14Å; Y188-L234 HydrophobicContact CD1-CD2 4.27Å; Y188-L234 HydrophobicContact CD1-CG 4.35Å; Y188-L234 HydrophobicContact CD2-CD2 3.84Å; Y188-L234 HydrophobicContact CD2-CG 4.39Å; Y188-L234 HydrophobicContact CE1-CD1 4.49Å; Y188-L234 HydrophobicContact CE2-CD2 4.48Å; Y188-L234 HydrophobicContact CG-CD1 4.42Å; Y188-L234 HydrophobicContact CG-CD2 3.73Å; Y188-L234 HydrophobicContact CG-CG 4.26Å |
| 189 | F | 93.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -80.2 | -21.6 | 179.1 | -74.8 | -64.3 | 0 | 0 | 0 | 113.6 | I173 L185 S186 E187 Q191 F192 L195 V215 F217 V226 L234 | I173-F189 HydrophobicContact CD1-CE1 4.04Å; I173-F189 HydrophobicContact CD1-CE2 3.84Å; I173-F189 HydrophobicContact CD1-CZ 3.56Å; I173-F189 HydrophobicContact CG1-CE2 4Å; I173-F189 HydrophobicContact CG1-CZ 4.23Å; I173-F189 HydrophobicContact CG2-CE2 4Å; I173-F189 HydrophobicContact CG2-CZ 4.27Å; L185-F189 HydrophobicContact CD2-CD2 4.44Å; L185-F189 HydrophobicContact CD2-CE2 3.96Å; L185-F189 WeakPolarHBondContact O-CB 3.03Å; L185-F189 WeakPolarHBondContact O-CD2 3.29Å; L185-F189 PolarHBondContact O-N 3.19Å; S186-F189 PolarHBondContact O-N 3.06Å; E187-F189 PolarHBondContact O-N 2.98Å; F189-Q191 PolarHBondContact O-N 2.94Å; F189-F192 AromaticContact CD1-CD2 3.95Å; F189-F192 HydrophobicContact CD1-CD2 3.95Å; F189-F192 HydrophobicContact CD1-CE2 4.02Å; F189-F192 HydrophobicContact CE1-CE2 4.35Å; F189-F192 PolarHBondContact O-N 2.99Å; F189-F192 VanDerWaalsContact O-N 3.14Å; F189-L195 HydrophobicContact CB-CD1 4.26Å; F189-L195 HydrophobicContact CB-CD2 4.29Å; F189-V215 HydrophobicContact CB-CG1 4.1Å; F189-V215 HydrophobicContact CD2-CG2 3.87Å; F189-V215 HydrophobicContact CE2-CG2 4.5Å; F189-V215 HydrophobicContact CG-CG2 4.33Å; F189-F217 HydrophobicContact CB-CE1 4.48Å; F189-F217 HydrophobicContact CB-CZ 4.03Å; F189-F217 HydrophobicContact CD1-CZ 4.31Å; F189-F217 HydrophobicContact CG-CZ 4.48Å; F189-F217 WeakPolarHBondContact O-CE1 3.22Å; F189-V226 HydrophobicContact CD1-CG1 4.08Å; F189-V226 HydrophobicContact CD1-CG2 4.04Å; F189-V226 HydrophobicContact CE1-CG1 3.77Å; F189-V226 HydrophobicContact CE1-CG2 4.37Å; F189-L234 HydrophobicContact CE2-CD1 4.41Å |
| 190 | S | 93.1 | Very high | 92.8 | Very high | 65 Ų | 65 | 62.2 Ų | 62.2 | 46% | 0.455 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57.8 | -30.1 | 173.5 | -167.9 | 0 | 0 | 0 | 0 | 113.1 | S186 E187 F192 G193 | S186-S190 VanDerWaalsContact O-CB 3.26Å; S186-S190 WeakPolarHBondContact O-CB 3.26Å; S186-S190 PolarHBondContact O-N 3.5Å; E187-S190 WeakPolarHBondContact O-CB 3.45Å; E187-S190 PolarHBondContact O-N 2.81Å; S190-F192 PolarHBondContact O-N 3.03Å; S190-F192 VanDerWaalsContact O-N 3.15Å; S190-G193 CarbonylContact O-C 3.54Å; S190-G193 PolarHBondContact O-N 3.25Å |
| 191 | Q | 92.7 | Very high | 92.9 | Very high | 126 Ų | 126 | 64.2 Ų | 64.2 | 59% | 0.589 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -22 | 178.2 | 85.3 | -166.8 | -54.9 | 0 | 0 | 113.9 | Y188 F189 | Y188-Q191 VanDerWaalsContact CE2-NE2 3.31Å; Y188-Q191 VanDerWaalsContact O-CG 3.24Å; Y188-Q191 WeakPolarHBondContact O-CG 3.46Å; Y188-Q191 PolarHBondContact O-NE2 2.97Å; F189-Q191 PolarHBondContact O-N 2.94Å |
| 192 | F | 91.5 | Very high | 92.9 | Very high | 43 Ų | 43 | 66.1 Ų | 66.1 | 19% | 0.189 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -9.2 | 175.8 | -54.8 | -77.8 | 0 | 0 | 0 | 113 | Y188 F189 S190 F217 S222 V226 I229 H232 | Y188-F192 HydrophobicContact CD1-CE2 4.34Å; Y188-F192 AromaticContact CE1-CE2 3.86Å; Y188-F192 HydrophobicContact CE1-CE2 3.86Å; Y188-F192 HydrophobicContact CE1-CZ 4.37Å; F189-F192 AromaticContact CD1-CD2 3.95Å; F189-F192 HydrophobicContact CD1-CD2 3.95Å; F189-F192 HydrophobicContact CD1-CE2 4.02Å; F189-F192 HydrophobicContact CE1-CE2 4.35Å; F189-F192 PolarHBondContact O-N 2.99Å; F189-F192 VanDerWaalsContact O-N 3.14Å; S190-F192 PolarHBondContact O-N 3.03Å; S190-F192 VanDerWaalsContact O-N 3.15Å; F192-F217 HydrophobicContact CB-CE1 4.3Å; F192-S222 WeakPolarHBondContact O-CB 3.2Å; F192-S222 PolarHBondContact O-OG 3.37Å; F192-V226 HydrophobicContact CB-CG2 3.63Å; F192-V226 HydrophobicContact CD1-CG2 4.02Å; F192-V226 HydrophobicContact CD2-CG2 3.43Å; F192-V226 VanDerWaalsContact CD2-CG2 3.43Å; F192-V226 HydrophobicContact CE2-CG2 4.07Å; F192-V226 HydrophobicContact CG-CG2 3.4Å; F192-V226 VanDerWaalsContact CG-CG2 3.4Å; F192-I229 HydrophobicContact CD1-CD1 4.33Å; F192-I229 HydrophobicContact CE1-CD1 3.51Å; F192-I229 HydrophobicContact CZ-CD1 4.08Å; F192-H232 AromaticContact CE2-CE1 3.88Å; F192-H232 AromaticContact CZ-CE1 3.6Å; F192-H232 AromaticContact CZ-ND1 3.8Å |
| 193 | G | 92.7 | Very high | 92.8 | Very high | 20 Ų | 20 | 65.4 Ų | 65.4 | 21% | 0.206 | 33% | 0.332 | C | S | . | . | S | Bend | trans | 141.4 | 167.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S190 L195 S222 | S190-G193 CarbonylContact O-C 3.54Å; S190-G193 PolarHBondContact O-N 3.25Å; G193-L195 PolarHBondContact O-N 2.58Å; G193-S222 WeakPolarHBondContact CA-OG 3.48Å |
| 194 | K | 94.7 | Very high | 92.7 | Very high | 130 Ų | 130 | 67.7 Ų | 67.7 | 57% | 0.565 | 34% | 0.34 | S | S | * | . | trans | -59.8 | 129.7 | -172.5 | 179 | 157.8 | 159.6 | -111.2 | 0 | 112.5 | E218 | K194-E218 HydrophobicContact CB-CB 4.48Å; K194-E218 WeakPolarHBondContact CD-OE2 3.44Å; K194-E218 WeakPolarHBondContact CE-OE2 3.47Å; K194-E218 HydrophobicContact CG-CB 4.43Å; K194-E218 WeakPolarHBondContact CG-OE2 3.09Å; K194-E218 IonicContact NZ-OE1 3.64Å; K194-E218 PolarHBondContact NZ-OE1 3.02Å; K194-E218 IonicContact NZ-OE2 2.77Å; K194-E218 PolarHBondContact NZ-OE2 2.88Å; K194-E218 PolarHBondContact O-N 3.19Å | ||
| 195 | L | 94.2 | Very high | 92.6 | Very high | 32 Ų | 32 | 69.9 Ų | 69.9 | 17% | 0.168 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 141.2 | 178 | -56 | -170.3 | 0 | 0 | 0 | 111.4 | S186 F189 G193 V215 F217 | S186-L195 VanDerWaalsContact O-CD1 3.32Å; S186-L195 WeakPolarHBondContact O-CD1 3.46Å; F189-L195 HydrophobicContact CB-CD1 4.26Å; F189-L195 HydrophobicContact CB-CD2 4.29Å; G193-L195 PolarHBondContact O-N 2.58Å; L195-V215 HydrophobicContact CD1-CG1 4.09Å; L195-V215 HydrophobicContact CD2-CG1 3.52Å; L195-V215 HydrophobicContact CG-CG1 4.4Å; L195-F217 HydrophobicContact CD2-CD1 3.39Å; L195-F217 HydrophobicContact CD2-CE1 3.27Å; L195-F217 HydrophobicContact CD2-CE2 4.43Å; L195-F217 HydrophobicContact CD2-CG 4.05Å; L195-F217 HydrophobicContact CD2-CZ 3.83Å |
| 196 | E | 94.6 | Very high | 92.4 | Very high | 127 Ų | 127 | 73.8 Ų | 73.8 | 59% | 0.593 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -41.3 | 170.2 | -173.4 | -176 | 149.7 | 0 | 0 | 110.5 | T216 | E196-T216 HydrophobicContact CB-CG2 4.21Å; E196-T216 PolarHBondContact N-O 3.36Å |
| 197 | S | 93 | Very high | 92.1 | Very high | 63 Ų | 63 | 78.1 Ų | 78.1 | 44% | 0.441 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.3 | 138.7 | 178 | -177.2 | 0 | 0 | 0 | 0 | 112.7 | T216 | S197-T216 PolarHBondContact N-O 3.19Å; S197-T216 PolarHBondContact O-N 3.04Å |
| 198 | C | 93.3 | Very high | 91.8 | Very high | 25 Ų | 25 | 78.1 Ų | 78.1 | 17% | 0.169 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 123 | 172.3 | 51.1 | 0 | 0 | 0 | 0 | 110.9 | N182 S186 F214 V215 | N182-C198 PolarHBondContact ND2-O 3.29Å; N182-C198 PolarHBondContact ND2-SG 2.72Å; S186-C198 PolarHBondContact OG-SG 2.83Å; C198-F214 CarbonylContact C-O 3.46Å; C198-F214 WeakPolarHBondContact CA-O 3.01Å; C198-V215 HydrophobicContact CB-CG2 4.44Å |
| 199 | E | 92.3 | Very high | 91.7 | Very high | 65 Ų | 65 | 76 Ų | 76 | 30% | 0.304 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 97.9 | -174.6 | -176.1 | -171.2 | 172.7 | 0 | 0 | 109.6 | R170 M201 G213 F214 K247 | R170-E199 IonicContact CZ-OE2 3.5Å; R170-E199 IonicContact NH1-OE2 2.67Å; R170-E199 PolarHBondContact NH1-OE2 3.24Å; R170-E199 IonicContact NH2-OE2 2.8Å; R170-E199 PolarHBondContact NH2-OE2 2.97Å; E199-M201 HydrophobicContact CG-SD 3.99Å; E199-M201 VanDerWaalsContact OE1-SD 3.39Å; E199-G213 CarbonylContact O-C 3.49Å; E199-G213 WeakPolarHBondContact O-CA 3.4Å; E199-F214 PolarHBondContact N-O 2.84Å; E199-F214 PolarHBondContact O-N 3.08Å; E199-K247 IonicContact OE1-NZ 3.12Å; E199-K247 PolarHBondContact OE1-NZ 2.87Å; E199-K247 IonicContact OE2-NZ 2.65Å |
| 200 | L | 92.9 | Very high | 91.6 | Very high | 23 Ų | 23 | 83.1 Ų | 83.1 | 12% | 0.12 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 125 | 173.5 | -175.2 | 60 | 0 | 0 | 0 | 110.1 | V176 N182 L185 M202 H209 | V176-L200 HydrophobicContact CG1-CD1 4.38Å; V176-L200 HydrophobicContact CG2-CD1 4.48Å; N182-L200 HydrophobicContact CB-CB 4.32Å; L185-L200 HydrophobicContact CD1-CD1 3.83Å; L185-L200 HydrophobicContact CD1-CD2 4.23Å; L185-L200 HydrophobicContact CD1-CG 4.43Å; L200-M202 HydrophobicContact CG-SD 4.48Å; L200-M202 PolarHBondContact O-N 2.87Å; L200-M202 VanDerWaalsContact O-N 3.13Å; L200-H209 HydrophobicContact CD1-CB 4.06Å; L200-H209 HydrophobicContact CD2-CB 3.84Å; L200-H209 HydrophobicContact CG-CB 3.69Å |
| 201 | M | 91.8 | Very high | 91.5 | Very high | 43 Ų | 43 | 80.8 Ų | 80.8 | 21% | 0.212 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 99.9 | -168.2 | -66 | -60.4 | -45.9 | 0 | 0 | 112.2 | E199 R210 F212 F214 | E199-M201 HydrophobicContact CG-SD 3.99Å; E199-M201 VanDerWaalsContact OE1-SD 3.39Å; M201-R210 WeakPolarHBondContact O-CB 3.03Å; M201-R210 VanDerWaalsContact O-CG 3.31Å; M201-R210 WeakPolarHBondContact O-CG 3.1Å; M201-R210 PolarHBondContact O-N 2.86Å; M201-F212 HydrophobicContact CB-CD2 4.11Å; M201-F212 HydrophobicContact CB-CE2 3.85Å; M201-F212 HydrophobicContact CB-CZ 4.13Å; M201-F212 WeakPolarHBondContact CB-O 3.31Å; M201-F212 HydrophobicContact CG-CD2 3.83Å; M201-F212 HydrophobicContact CG-CE2 3.54Å; M201-F212 HydrophobicContact CG-CZ 4.26Å; M201-F212 PolarHBondContact N-O 3.39Å; M201-F214 HydrophobicContact CG-CD2 4.2Å; M201-F214 HydrophobicContact CG-CE2 4.05Å; M201-F214 HydrophobicContact SD-CD2 4.2Å; M201-F214 HydrophobicContact SD-CE2 4.12Å |
| 202 | M | 90.5 | Very high | 91.6 | Very high | 98 Ų | 98 | 77 Ų | 77 | 48% | 0.483 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 144.1 | 176.5 | -51.1 | -51.7 | -76.2 | 0 | 0 | 112.8 | L200 N207 H209 | L200-M202 HydrophobicContact CG-SD 4.48Å; L200-M202 PolarHBondContact O-N 2.87Å; L200-M202 VanDerWaalsContact O-N 3.13Å; M202-N207 WeakPolarHBondContact CE-O 3.49Å; M202-H209 HydrophobicContact CE-CB 4.28Å; M202-H209 HydrophobicContact SD-CB 3.59Å; M202-H209 VanDerWaalsContact SD-CB 3.59Å |
| 203 | D | 91.1 | Very high | 91.7 | Very high | 47 Ų | 47 | 75 Ų | 75 | 25% | 0.251 | 38% | 0.378 | S | S | . | . | trans | -84.1 | 128.5 | 160.3 | 167.3 | 38.5 | 0 | 0 | 0 | 110 | S205 T206 N207 R208 R210 | D203-S205 VanDerWaalsContact C-N 3.27Å; D203-S205 PolarHBondContact O-N 2.98Å; D203-S205 PolarHBondContact OD1-N 2.86Å; D203-S205 PolarHBondContact OD1-OG 2.96Å; D203-S205 PolarHBondContact OD2-N 3.42Å; D203-S205 PolarHBondContact OD2-OG 3.36Å; D203-T206 WeakPolarHBondContact OD2-CB 3.42Å; D203-T206 WeakPolarHBondContact OD2-CG2 3.38Å; D203-T206 PolarHBondContact OD2-N 2.86Å; D203-T206 PolarHBondContact OD2-OG1 3.16Å; D203-N207 VanDerWaalsContact O-CA 3.3Å; D203-N207 WeakPolarHBondContact O-CA 3.47Å; D203-N207 PolarHBondContact O-N 2.67Å; D203-R208 PolarHBondContact N-O 2.89Å; D203-R210 HydrophobicContact CB-CG 4.03Å | ||
| 204 | K | 90.3 | Very high | 91.8 | Very high | 200 Ų | 200 | 74.9 Ų | 74.9 | 87% | 0.87 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -16.4 | -179 | -60.5 | -170 | 177.1 | -168.2 | 0 | 113.8 | ||
| 205 | S | 89.1 | Confident | 91.8 | Very high | 100 Ų | 100 | 68.9 Ų | 68.9 | 70% | 0.699 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -36.4 | -178.1 | 76.8 | 0 | 0 | 0 | 0 | 113.3 | D203 | D203-S205 VanDerWaalsContact C-N 3.27Å; D203-S205 PolarHBondContact O-N 2.98Å; D203-S205 PolarHBondContact OD1-N 2.86Å; D203-S205 PolarHBondContact OD1-OG 2.96Å; D203-S205 PolarHBondContact OD2-N 3.42Å; D203-S205 PolarHBondContact OD2-OG 3.36Å |
| 206 | T | 89.2 | Confident | 91.8 | Very high | 89 Ų | 89 | 68.2 Ų | 68.2 | 55% | 0.546 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | -7.8 | -178.2 | 59.6 | 0 | 0 | 0 | 0 | 114.5 | D203 R208 | D203-T206 WeakPolarHBondContact OD2-CB 3.42Å; D203-T206 WeakPolarHBondContact OD2-CG2 3.38Å; D203-T206 PolarHBondContact OD2-N 2.86Å; D203-T206 PolarHBondContact OD2-OG1 3.16Å; T206-R208 PolarHBondContact O-N 3.11Å; T206-R208 PolarHBondContact OG1-N 3.07Å |
| 207 | N | 86.5 | Confident | 91.8 | Very high | 129 Ų | 129 | 62.1 Ų | 62.1 | 69% | 0.69 | 32% | 0.315 | S | S | * | . | trans | 52.6 | 19.9 | -169.1 | -65.9 | -48.1 | 0 | 0 | 0 | 114.3 | M202 D203 | M202-N207 WeakPolarHBondContact CE-O 3.49Å; D203-N207 VanDerWaalsContact O-CA 3.3Å; D203-N207 WeakPolarHBondContact O-CA 3.47Å; D203-N207 PolarHBondContact O-N 2.67Å | ||
| 208 | R | 88 | Confident | 91.9 | Very high | 154 Ų | 154 | 63.6 Ų | 63.6 | 58% | 0.581 | 32% | 0.315 | S | S | * | . | trans | -97.2 | 144.8 | 173.8 | -171.5 | 174.5 | -69.1 | -171.7 | -2.1 | 109.5 | D203 T206 | D203-R208 PolarHBondContact N-O 2.89Å; T206-R208 PolarHBondContact O-N 3.11Å; T206-R208 PolarHBondContact OG1-N 3.07Å | ||
| 209 | H | 91.3 | Very high | 91.8 | Very high | 17 Ų | 17 | 64.8 Ų | 64.8 | 8% | 0.079 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 149.5 | 172 | 72.5 | 85.7 | 0 | 0 | 0 | 111.8 | V176 A177 T178 Q179 T180 L200 M202 G211 | V176-H209 WeakPolarHBondContact CB-CE1 3.44Å; V176-H209 WeakPolarHBondContact CG1-CE1 3.43Å; V176-H209 PolarHBondContact O-CE1 3.17Å; A177-H209 VanDerWaalsContact C-NE2 3.3Å; A177-H209 PolarHBondContact N-CE1 3.2Å; A177-H209 PolarHBondContact O-CE1 3.12Å; A177-H209 PolarHBondContact O-NE2 2.92Å; T178-H209 VanDerWaalsContact CA-NE2 3.31Å; T178-H209 WeakPolarHBondContact CA-NE2 3.29Å; Q179-H209 PolarHBondContact N-NE2 3.21Å; T180-H209 PolarHBondContact N-NE2 3.24Å; T180-H209 PolarHBondContact O-NE2 2.91Å; L200-H209 HydrophobicContact CD1-CB 4.06Å; L200-H209 HydrophobicContact CD2-CB 3.84Å; L200-H209 HydrophobicContact CG-CB 3.69Å; M202-H209 HydrophobicContact CE-CB 4.28Å; M202-H209 HydrophobicContact SD-CB 3.59Å; M202-H209 VanDerWaalsContact SD-CB 3.59Å; H209-G211 PolarHBondContact ND1-N 3.43Å; H209-G211 VanDerWaalsContact ND1-N 3.17Å; H209-G211 PolarHBondContact O-N 3.42Å; H209-G211 VanDerWaalsContact O-N 3.17Å |
| 210 | R | 90.8 | Very high | 91.8 | Very high | 149 Ų | 149 | 64 Ų | 64 | 56% | 0.562 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 14.6 | -172 | -63.5 | 173.3 | 62.6 | -164.8 | -4.1 | 113.4 | M201 D203 F212 | M201-R210 WeakPolarHBondContact O-CB 3.03Å; M201-R210 VanDerWaalsContact O-CG 3.31Å; M201-R210 WeakPolarHBondContact O-CG 3.1Å; M201-R210 PolarHBondContact O-N 2.86Å; D203-R210 HydrophobicContact CB-CG 4.03Å; R210-F212 VanDerWaalsContact C-N 3.26Å; R210-F212 HydrophobicContact CB-CD1 3.82Å; R210-F212 HydrophobicContact CB-CE1 3.57Å; R210-F212 HydrophobicContact CB-CZ 4.43Å; R210-F212 WeakPolarHBondContact O-CD1 3.11Å; R210-F212 PolarHBondContact O-N 3.08Å |
| 211 | G | 91.5 | Very high | 91.7 | Very high | 17 Ų | 17 | 68.5 Ų | 68.5 | 18% | 0.175 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 72.1 | 14.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G175 V176 H209 | G175-G211 CarbonylContact C-O 3.49Å; G175-G211 PolarHBondContact N-O 3.38Å; V176-G211 PolarHBondContact N-O 3.48Å; H209-G211 PolarHBondContact ND1-N 3.43Å; H209-G211 VanDerWaalsContact ND1-N 3.17Å; H209-G211 PolarHBondContact O-N 3.42Å; H209-G211 VanDerWaalsContact O-N 3.17Å |
| 212 | F | 93.5 | Very high | 91.7 | Very high | 46 Ų | 46 | 66.9 Ų | 66.9 | 20% | 0.202 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 157.1 | 174.6 | 71.5 | -89.2 | 0 | 0 | 0 | 112.4 | F172 I173 M201 R210 F214 | F172-F212 HydrophobicContact CD2-CD2 4.46Å; F172-F212 HydrophobicContact CE2-CB 3.89Å; F172-F212 AromaticContact CE2-CD2 3.66Å; F172-F212 HydrophobicContact CE2-CD2 3.66Å; F172-F212 HydrophobicContact CE2-CE2 4.44Å; F172-F212 HydrophobicContact CE2-CG 4Å; F172-F212 HydrophobicContact CZ-CB 3.91Å; F172-F212 HydrophobicContact CZ-CD2 4.44Å; F172-F212 HydrophobicContact CZ-CG 4.35Å; I173-F212 CarbonylContact O-C 3.51Å; I173-F212 WeakPolarHBondContact O-CA 3.44Å; I173-F212 WeakPolarHBondContact O-CB 3.5Å; M201-F212 HydrophobicContact CB-CD2 4.11Å; M201-F212 HydrophobicContact CB-CE2 3.85Å; M201-F212 HydrophobicContact CB-CZ 4.13Å; M201-F212 WeakPolarHBondContact CB-O 3.31Å; M201-F212 HydrophobicContact CG-CD2 3.83Å; M201-F212 HydrophobicContact CG-CE2 3.54Å; M201-F212 HydrophobicContact CG-CZ 4.26Å; M201-F212 PolarHBondContact N-O 3.39Å; R210-F212 VanDerWaalsContact C-N 3.26Å; R210-F212 HydrophobicContact CB-CD1 3.82Å; R210-F212 HydrophobicContact CB-CE1 3.57Å; R210-F212 HydrophobicContact CB-CZ 4.43Å; R210-F212 WeakPolarHBondContact O-CD1 3.11Å; R210-F212 PolarHBondContact O-N 3.08Å; F212-F214 HydrophobicContact CE2-CE2 4.46Å |
| 213 | G | 94 | Very high | 91.8 | Very high | 2 Ų | 2 | 62.3 Ų | 62.3 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | -171.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | I173 E199 | I173-G213 PolarHBondContact N-O 2.98Å; I173-G213 PolarHBondContact O-N 2.88Å; E199-G213 CarbonylContact O-C 3.49Å; E199-G213 WeakPolarHBondContact O-CA 3.4Å |
| 214 | F | 94.6 | Very high | 91.7 | Very high | 16 Ų | 16 | 62.7 Ų | 62.7 | 7% | 0.07 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 143.4 | 174.6 | -61.1 | -89.2 | 0 | 0 | 0 | 110.4 | R170 V171 F172 C198 E199 M201 F212 A244 | R170-F214 HydrophobicContact CG-CB 4.32Å; R170-F214 HydrophobicContact CG-CD1 4.38Å; R170-F214 VanDerWaalsContact NH2-CB 3.3Å; V171-F214 VanDerWaalsContact O-CA 3.27Å; V171-F214 WeakPolarHBondContact O-CA 3.46Å; F172-F214 HydrophobicContact CB-CD1 4.29Å; F172-F214 HydrophobicContact CB-CE1 4.21Å; F172-F214 HydrophobicContact CD2-CD1 4.41Å; F172-F214 AromaticContact CD2-CE1 3.86Å; F172-F214 HydrophobicContact CD2-CE1 3.86Å; F172-F214 HydrophobicContact CD2-CZ 4.15Å; C198-F214 CarbonylContact C-O 3.46Å; C198-F214 WeakPolarHBondContact CA-O 3.01Å; E199-F214 PolarHBondContact N-O 2.84Å; E199-F214 PolarHBondContact O-N 3.08Å; M201-F214 HydrophobicContact CG-CD2 4.2Å; M201-F214 HydrophobicContact CG-CE2 4.05Å; M201-F214 HydrophobicContact SD-CD2 4.2Å; M201-F214 HydrophobicContact SD-CE2 4.12Å; F212-F214 HydrophobicContact CE2-CE2 4.46Å; F214-A244 HydrophobicContact CD1-CB 4.06Å; F214-A244 HydrophobicContact CE1-CB 4.23Å |
| 215 | V | 94.7 | Very high | 91.8 | Very high | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.024 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 128.4 | 173.9 | 177.3 | 0 | 0 | 0 | 0 | 107.7 | R170 V171 I173 F189 L195 C198 F217 | R170-V215 CarbonylContact C-O 3.45Å; R170-V215 WeakPolarHBondContact CA-O 3.29Å; V171-V215 PolarHBondContact N-O 2.93Å; V171-V215 PolarHBondContact O-N 2.98Å; I173-V215 HydrophobicContact CG1-CB 4.37Å; I173-V215 HydrophobicContact CG1-CG2 3.81Å; F189-V215 HydrophobicContact CB-CG1 4.1Å; F189-V215 HydrophobicContact CD2-CG2 3.87Å; F189-V215 HydrophobicContact CE2-CG2 4.5Å; F189-V215 HydrophobicContact CG-CG2 4.33Å; L195-V215 HydrophobicContact CD1-CG1 4.09Å; L195-V215 HydrophobicContact CD2-CG1 3.52Å; L195-V215 HydrophobicContact CG-CG1 4.4Å; C198-V215 HydrophobicContact CB-CG2 4.44Å; V215-F217 HydrophobicContact CB-CE2 4.25Å; V215-F217 HydrophobicContact CG1-CD2 4.1Å; V215-F217 HydrophobicContact CG1-CE2 3.59Å; V215-F217 HydrophobicContact CG1-CZ 3.82Å |
| 216 | T | 94 | Very high | 91.9 | Very high | 18 Ų | 18 | 52.9 Ų | 52.9 | 11% | 0.11 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 120.4 | 176.7 | -45.4 | 0 | 0 | 0 | 0 | 107.5 | K169 R170 E196 S197 | K169-T216 HydrophobicContact CB-CG2 4.13Å; K169-T216 WeakPolarHBondContact O-CA 3.3Å; R170-T216 HydrophobicContact CB-CG2 4.41Å; E196-T216 HydrophobicContact CB-CG2 4.21Å; E196-T216 PolarHBondContact N-O 3.36Å; S197-T216 PolarHBondContact N-O 3.19Å; S197-T216 PolarHBondContact O-N 3.04Å |
| 217 | F | 95.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 148.9 | 177.7 | -68.9 | -92.2 | 0 | 0 | 0 | 110.6 | K169 V171 F189 F192 L195 V215 S219 A223 V226 | K169-F217 WeakPolarHBondContact CB-O 3.27Å; K169-F217 WeakPolarHBondContact CD-O 3.45Å; K169-F217 PolarHBondContact O-N 2.73Å; V171-F217 HydrophobicContact CB-CE2 4.42Å; V171-F217 HydrophobicContact CG2-CD2 3.99Å; V171-F217 HydrophobicContact CG2-CE2 3.74Å; F189-F217 HydrophobicContact CB-CE1 4.48Å; F189-F217 HydrophobicContact CB-CZ 4.03Å; F189-F217 HydrophobicContact CD1-CZ 4.31Å; F189-F217 HydrophobicContact CG-CZ 4.48Å; F189-F217 WeakPolarHBondContact O-CE1 3.22Å; F192-F217 HydrophobicContact CB-CE1 4.3Å; L195-F217 HydrophobicContact CD2-CD1 3.39Å; L195-F217 HydrophobicContact CD2-CE1 3.27Å; L195-F217 HydrophobicContact CD2-CE2 4.43Å; L195-F217 HydrophobicContact CD2-CG 4.05Å; L195-F217 HydrophobicContact CD2-CZ 3.83Å; V215-F217 HydrophobicContact CB-CE2 4.25Å; V215-F217 HydrophobicContact CG1-CD2 4.1Å; V215-F217 HydrophobicContact CG1-CE2 3.59Å; V215-F217 HydrophobicContact CG1-CZ 3.82Å; F217-S219 VanDerWaalsContact C-N 3.34Å; F217-S219 WeakPolarHBondContact CB-O 3.49Å; F217-A223 HydrophobicContact CB-CB 4.49Å; F217-A223 HydrophobicContact CD2-CB 3.82Å; F217-A223 HydrophobicContact CG-CB 4.41Å; F217-V226 HydrophobicContact CE2-CG2 4.39Å; F217-V226 HydrophobicContact CZ-CB 4.48Å; F217-V226 HydrophobicContact CZ-CG2 3.81Å |
| 218 | E | 94.8 | Very high | 92 | Very high | 94 Ų | 94 | 50 Ų | 50 | 44% | 0.439 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -67.1 | -37.8 | 173.3 | -178.1 | 174.1 | -132.5 | 0 | 0 | 111.5 | K169 K194 | K169-E218 WeakPolarHBondContact CE-O 3.17Å; K169-E218 PolarHBondContact NZ-O 3.36Å; K194-E218 HydrophobicContact CB-CB 4.48Å; K194-E218 WeakPolarHBondContact CD-OE2 3.44Å; K194-E218 WeakPolarHBondContact CE-OE2 3.47Å; K194-E218 HydrophobicContact CG-CB 4.43Å; K194-E218 WeakPolarHBondContact CG-OE2 3.09Å; K194-E218 IonicContact NZ-OE1 3.64Å; K194-E218 PolarHBondContact NZ-OE1 3.02Å; K194-E218 IonicContact NZ-OE2 2.77Å; K194-E218 PolarHBondContact NZ-OE2 2.88Å; K194-E218 PolarHBondContact O-N 3.19Å |
| 219 | S | 92.7 | Very high | 92.1 | Very high | 50 Ų | 50 | 46.8 Ų | 46.8 | 35% | 0.35 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -98.4 | 144.5 | 173.4 | -176.8 | 0 | 0 | 0 | 0 | 111.7 | F217 E221 | F217-S219 VanDerWaalsContact C-N 3.34Å; F217-S219 WeakPolarHBondContact CB-O 3.49Å; S219-E221 PolarHBondContact OG-N 2.74Å |
| 220 | E | 90.7 | Very high | 91.9 | Very high | 47 Ų | 47 | 50.8 Ų | 50.8 | 22% | 0.22 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.2 | -38.3 | 171.4 | -158.8 | -159.9 | 154.3 | 0 | 0 | 111.7 | K167 S222 A223 E224 | K167-E220 WeakPolarHBondContact CA-OE1 3.46Å; K167-E220 VanDerWaalsContact CB-CD 3.5Å; K167-E220 WeakPolarHBondContact CB-OE1 3.33Å; K167-E220 WeakPolarHBondContact CD-OE2 3.46Å; K167-E220 WeakPolarHBondContact CG-OE1 3.16Å; K167-E220 IonicContact NZ-OE1 2.67Å; K167-E220 PolarHBondContact NZ-OE1 2.96Å; K167-E220 IonicContact NZ-OE2 3.07Å; K167-E220 PolarHBondContact NZ-OE2 2.77Å; E220-S222 VanDerWaalsContact C-N 3.25Å; E220-S222 PolarHBondContact O-N 2.78Å; E220-A223 CarbonylContact O-C 3.53Å; E220-A223 WeakPolarHBondContact O-CA 3.5Å; E220-A223 VanDerWaalsContact O-CB 3.32Å; E220-A223 WeakPolarHBondContact O-CB 3.45Å; E220-A223 PolarHBondContact O-N 2.94Å; E220-E224 HydrophobicContact CG-CG 4.43Å; E220-E224 WeakPolarHBondContact O-CG 3.48Å; E220-E224 PolarHBondContact O-N 3.46Å |
| 221 | E | 91.2 | Very high | 92 | Very high | 118 Ų | 118 | 49 Ų | 49 | 55% | 0.551 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -59.3 | -35.2 | -176.5 | -61.5 | -179.4 | -173 | 0 | 0 | 113 | S219 A223 E224 K225 | S219-E221 PolarHBondContact OG-N 2.74Å; E221-A223 VanDerWaalsContact C-N 3.33Å; E221-E224 PolarHBondContact O-N 2.82Å; E221-K225 WeakPolarHBondContact O-CD 3.38Å; E221-K225 VanDerWaalsContact O-CG 3.29Å; E221-K225 WeakPolarHBondContact O-CG 3.36Å; E221-K225 PolarHBondContact O-N 2.84Å; E221-K225 IonicContact OE2-NZ 2.65Å |
| 222 | S | 92.8 | Very high | 92 | Very high | 10 Ų | 10 | 48.4 Ų | 48.4 | 7% | 0.07 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.4 | -35.9 | 176 | -62.8 | 0 | 0 | 0 | 0 | 111.8 | F192 G193 E220 V226 | F192-S222 WeakPolarHBondContact O-CB 3.2Å; F192-S222 PolarHBondContact O-OG 3.37Å; G193-S222 WeakPolarHBondContact CA-OG 3.48Å; E220-S222 VanDerWaalsContact C-N 3.25Å; E220-S222 PolarHBondContact O-N 2.78Å; S222-V226 WeakPolarHBondContact O-CG2 3.33Å; S222-V226 PolarHBondContact O-N 2.96Å |
| 223 | A | 91.4 | Very high | 91.9 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 2% | 0.017 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -69 | -34.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V171 F217 E220 E221 C227 | V171-A223 HydrophobicContact CG2-CB 3.6Å; F217-A223 HydrophobicContact CB-CB 4.49Å; F217-A223 HydrophobicContact CD2-CB 3.82Å; F217-A223 HydrophobicContact CG-CB 4.41Å; E220-A223 CarbonylContact O-C 3.53Å; E220-A223 WeakPolarHBondContact O-CA 3.5Å; E220-A223 VanDerWaalsContact O-CB 3.32Å; E220-A223 WeakPolarHBondContact O-CB 3.45Å; E220-A223 PolarHBondContact O-N 2.94Å; E221-A223 VanDerWaalsContact C-N 3.33Å; A223-C227 WeakPolarHBondContact O-CB 3.43Å; A223-C227 PolarHBondContact O-N 2.76Å; A223-C227 VanDerWaalsContact O-N 3.14Å; A223-C227 PolarHBondContact O-SG 3.39Å |
| 224 | E | 89.6 | Confident | 91.6 | Very high | 54 Ų | 54 | 51.4 Ų | 51.4 | 25% | 0.252 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -69 | -49.1 | 175.9 | -53.1 | -144.5 | 85.1 | 0 | 0 | 111.4 | K167 E220 E221 V226 C227 E228 K243 | K167-E224 IonicContact NZ-OE2 2.72Å; K167-E224 PolarHBondContact NZ-OE2 2.79Å; K167-E224 VanDerWaalsContact NZ-OE2 3.12Å; E220-E224 HydrophobicContact CG-CG 4.43Å; E220-E224 WeakPolarHBondContact O-CG 3.48Å; E220-E224 PolarHBondContact O-N 3.46Å; E221-E224 PolarHBondContact O-N 2.82Å; E224-V226 VanDerWaalsContact C-N 3.31Å; E224-V226 PolarHBondContact O-N 3.05Å; E224-C227 CarbonylContact O-C 3.58Å; E224-C227 WeakPolarHBondContact O-CA 3.08Å; E224-C227 WeakPolarHBondContact O-CB 3.33Å; E224-C227 PolarHBondContact O-N 3.31Å; E224-E228 WeakPolarHBondContact O-CG 3.41Å; E224-E228 PolarHBondContact O-N 3.02Å; E224-K243 IonicContact OE1-NZ 3.46Å; E224-K243 PolarHBondContact OE1-NZ 3.27Å |
| 225 | K | 91.4 | Very high | 91.1 | Very high | 95 Ų | 95 | 55.3 Ų | 55.3 | 41% | 0.413 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -54.2 | -42.3 | 176.1 | -71.2 | 161.1 | -171.5 | 162.6 | 0 | 113 | E221 C227 E228 I229 | E221-K225 WeakPolarHBondContact O-CD 3.38Å; E221-K225 VanDerWaalsContact O-CG 3.29Å; E221-K225 WeakPolarHBondContact O-CG 3.36Å; E221-K225 PolarHBondContact O-N 2.84Å; E221-K225 IonicContact OE2-NZ 2.65Å; K225-C227 VanDerWaalsContact C-N 3.35Å; K225-E228 PolarHBondContact O-N 2.82Å; K225-I229 PolarHBondContact O-N 3.21Å |
| 226 | V | 92.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.9 | -34.1 | 174.8 | 166.1 | 0 | 0 | 0 | 0 | 112 | V171 F189 F192 F217 S222 E224 H232 A241 | V171-V226 HydrophobicContact CG1-CG1 4Å; V171-V226 HydrophobicContact CG2-CG1 4.47Å; F189-V226 HydrophobicContact CD1-CG1 4.08Å; F189-V226 HydrophobicContact CD1-CG2 4.04Å; F189-V226 HydrophobicContact CE1-CG1 3.77Å; F189-V226 HydrophobicContact CE1-CG2 4.37Å; F192-V226 HydrophobicContact CB-CG2 3.63Å; F192-V226 HydrophobicContact CD1-CG2 4.02Å; F192-V226 HydrophobicContact CD2-CG2 3.43Å; F192-V226 VanDerWaalsContact CD2-CG2 3.43Å; F192-V226 HydrophobicContact CE2-CG2 4.07Å; F192-V226 HydrophobicContact CG-CG2 3.4Å; F192-V226 VanDerWaalsContact CG-CG2 3.4Å; F217-V226 HydrophobicContact CE2-CG2 4.39Å; F217-V226 HydrophobicContact CZ-CB 4.48Å; F217-V226 HydrophobicContact CZ-CG2 3.81Å; S222-V226 WeakPolarHBondContact O-CG2 3.33Å; S222-V226 PolarHBondContact O-N 2.96Å; E224-V226 VanDerWaalsContact C-N 3.31Å; E224-V226 PolarHBondContact O-N 3.05Å; V226-H232 PolarHBondContact O-NE2 3.34Å; V226-A241 HydrophobicContact CG1-CB 3.74Å; V226-A241 WeakPolarHBondContact O-CB 3.4Å |
| 227 | C | 89.5 | Confident | 90.6 | Very high | 12 Ų | 12 | 66.4 Ų | 66.4 | 8% | 0.081 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -76.4 | -20.8 | 175.7 | -68.9 | 0 | 0 | 0 | 0 | 113.9 | A223 E224 K225 H230 K243 | A223-C227 WeakPolarHBondContact O-CB 3.43Å; A223-C227 PolarHBondContact O-N 2.76Å; A223-C227 VanDerWaalsContact O-N 3.14Å; A223-C227 PolarHBondContact O-SG 3.39Å; E224-C227 CarbonylContact O-C 3.58Å; E224-C227 WeakPolarHBondContact O-CA 3.08Å; E224-C227 WeakPolarHBondContact O-CB 3.33Å; E224-C227 PolarHBondContact O-N 3.31Å; K225-C227 VanDerWaalsContact C-N 3.35Å; C227-H230 PolarHBondContact O-CE1 2.78Å; C227-H230 PolarHBondContact O-ND1 3.36Å; C227-K243 HydrophobicContact CB-CG 4.09Å; C227-K243 WeakPolarHBondContact SG-CG 3.42Å; C227-K243 PolarHBondContact SG-N 3.23Å; C227-K243 VanDerWaalsContact SG-N 3.36Å |
| 228 | E | 89.1 | Confident | 90.4 | Very high | 145 Ų | 145 | 71.1 Ų | 71.1 | 68% | 0.678 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -74 | -38.4 | 175.9 | -73.6 | 166.9 | 177.5 | 0 | 0 | 112.4 | E224 K225 H230 | E224-E228 WeakPolarHBondContact O-CG 3.41Å; E224-E228 PolarHBondContact O-N 3.02Å; K225-E228 PolarHBondContact O-N 2.82Å; E228-H230 VanDerWaalsContact C-N 3.29Å; E228-H230 PolarHBondContact O-N 3.03Å |
| 229 | I | 89.6 | Confident | 90.3 | Very high | 86 Ų | 86 | 66.7 Ų | 66.7 | 44% | 0.441 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.9 | -29.7 | 179.4 | -67 | 164.2 | 0 | 0 | 0 | 111.7 | F192 K225 F231 | F192-I229 HydrophobicContact CD1-CD1 4.33Å; F192-I229 HydrophobicContact CE1-CD1 3.51Å; F192-I229 HydrophobicContact CZ-CD1 4.08Å; K225-I229 PolarHBondContact O-N 3.21Å; I229-F231 WeakPolarHBondContact CG2-O 3.43Å; I229-F231 PolarHBondContact O-N 2.8Å |
| 230 | H | 86.3 | Confident | 90.4 | Very high | 101 Ų | 101 | 67.2 Ų | 67.2 | 47% | 0.468 | 32% | 0.324 | S | S | . | . | trans | 60.2 | -39.3 | -176.6 | -72.7 | -31.3 | 0 | 0 | 0 | 117.1 | C227 E228 E240 A241 | C227-H230 PolarHBondContact O-CE1 2.78Å; C227-H230 PolarHBondContact O-ND1 3.36Å; E228-H230 VanDerWaalsContact C-N 3.29Å; E228-H230 PolarHBondContact O-N 3.03Å; H230-E240 CarbonylContact O-C 3.6Å; H230-E240 WeakPolarHBondContact O-CA 3.45Å; H230-A241 PolarHBondContact O-N 3.16Å | ||
| 231 | F | 92.3 | Very high | 90.5 | Very high | 113 Ų | 113 | 65 Ų | 65 | 50% | 0.496 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 126.8 | -175.5 | -61.2 | -78.2 | 0 | 0 | 0 | 111.6 | I229 M238 V239 E240 | I229-F231 WeakPolarHBondContact CG2-O 3.43Å; I229-F231 PolarHBondContact O-N 2.8Å; F231-M238 HydrophobicContact CB-CE 3.82Å; F231-V239 CarbonylContact C-O 3.58Å; F231-V239 WeakPolarHBondContact CA-O 3.22Å; F231-E240 HydrophobicContact CD1-CB 4.4Å; F231-E240 HydrophobicContact CD1-CG 4.42Å; F231-E240 HydrophobicContact CE1-CB 4.35Å; F231-E240 HydrophobicContact CE1-CG 4.06Å |
| 232 | H | 92.2 | Very high | 90.5 | Very high | 3 Ų | 3 | 63.6 Ų | 63.6 | 1% | 0.014 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 133.8 | -178.2 | -65.9 | -85.1 | 0 | 0 | 0 | 110.2 | Y188 F192 V226 V239 | Y188-H232 HydrophobicContact CE1-CB 3.73Å; Y188-H232 AromaticContact CE1-CG 3.79Å; Y188-H232 AromaticContact CE1-ND1 3.49Å; Y188-H232 WeakPolarHBondContact CE1-ND1 3.39Å; Y188-H232 AromaticContact CZ-ND1 3.73Å; Y188-H232 WeakPolarHBondContact OH-CB 3.21Å; Y188-H232 PolarHBondContact OH-ND1 2.94Å; F192-H232 AromaticContact CE2-CE1 3.88Å; F192-H232 AromaticContact CZ-CE1 3.6Å; F192-H232 AromaticContact CZ-ND1 3.8Å; V226-H232 PolarHBondContact O-NE2 3.34Å; H232-V239 PolarHBondContact N-O 3.03Å; H232-V239 WeakPolarHBondContact O-CB 3.36Å; H232-V239 PolarHBondContact O-N 3.23Å |
| 233 | D | 90.7 | Very high | 90.4 | Very high | 99 Ų | 99 | 65.3 Ų | 65.3 | 53% | 0.529 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 118.5 | 175.3 | -86.9 | -63.9 | 0 | 0 | 0 | 111.8 | M238 | D233-M238 VanDerWaalsContact OD1-SD 3.33Å |
| 234 | L | 88.6 | Confident | 90.2 | Very high | 13 Ų | 13 | 65.4 Ų | 65.4 | 7% | 0.068 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 122.2 | 176.7 | -81 | 162.2 | 0 | 0 | 0 | 108.8 | L185 Y188 F189 N236 K237 V239 | L185-L234 HydrophobicContact CD2-CD1 3.73Å; Y188-L234 HydrophobicContact CD1-CD1 4.14Å; Y188-L234 HydrophobicContact CD1-CD2 4.27Å; Y188-L234 HydrophobicContact CD1-CG 4.35Å; Y188-L234 HydrophobicContact CD2-CD2 3.84Å; Y188-L234 HydrophobicContact CD2-CG 4.39Å; Y188-L234 HydrophobicContact CE1-CD1 4.49Å; Y188-L234 HydrophobicContact CE2-CD2 4.48Å; Y188-L234 HydrophobicContact CG-CD1 4.42Å; Y188-L234 HydrophobicContact CG-CD2 3.73Å; Y188-L234 HydrophobicContact CG-CG 4.26Å; F189-L234 HydrophobicContact CE2-CD1 4.41Å; L234-N236 VanDerWaalsContact C-N 3.34Å; L234-N236 PolarHBondContact O-N 3.21Å; L234-K237 PolarHBondContact N-O 3.18Å; L234-K237 VanDerWaalsContact N-O 3.14Å; L234-K237 WeakPolarHBondContact O-CB 3.45Å; L234-K237 PolarHBondContact O-N 3.23Å; L234-K237 VanDerWaalsContact O-N 3.11Å; L234-V239 HydrophobicContact CB-CG2 3.9Å; L234-V239 HydrophobicContact CD1-CB 4.19Å; L234-V239 HydrophobicContact CD1-CG1 4.3Å; L234-V239 HydrophobicContact CD1-CG2 3.97Å |
| 235 | H | 84.8 | Confident | 89.9 | Confident | 98 Ų | 98 | 66.1 Ų | 66.1 | 45% | 0.454 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 48.1 | -179.7 | -65.9 | 82.9 | 0 | 0 | 0 | 113.5 | A177 T180 E184 K237 | A177-H235 HydrophobicContact CB-CB 4.09Å; T180-H235 PolarHBondContact OG1-ND1 2.8Å; T180-H235 VanDerWaalsContact OG1-ND1 3.13Å; E184-H235 IonicContact OE2-CE1 2.96Å; E184-H235 PolarHBondContact OE2-CE1 3.21Å; E184-H235 IonicContact OE2-ND1 3.76Å; E184-H235 IonicContact OE2-NE2 3.62Å; H235-K237 PolarHBondContact O-N 2.83Å |
| 236 | N | 87.1 | Confident | 89.4 | Confident | 170 Ų | 170 | 64.4 Ų | 64.4 | 91% | 0.909 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 34.2 | -176.8 | -61.1 | 14.3 | 0 | 0 | 0 | 113.6 | L234 | L234-N236 VanDerWaalsContact C-N 3.34Å; L234-N236 PolarHBondContact O-N 3.21Å |
| 237 | K | 90.4 | Very high | 88.5 | Confident | 84 Ų | 84 | 69.6 Ų | 69.6 | 37% | 0.365 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 130.2 | -178.3 | -166.8 | -176.1 | -179.1 | -161.6 | 0 | 110.7 | G175 V176 A177 L234 H235 V239 | G175-K237 VanDerWaalsContact O-CD 3.24Å; G175-K237 WeakPolarHBondContact O-CD 3.2Å; G175-K237 WeakPolarHBondContact O-CE 3.44Å; G175-K237 PolarHBondContact O-NZ 3.23Å; V176-K237 PolarHBondContact O-NZ 3.32Å; A177-K237 HydrophobicContact CB-CB 4.32Å; A177-K237 HydrophobicContact CB-CD 3.74Å; L234-K237 PolarHBondContact N-O 3.18Å; L234-K237 VanDerWaalsContact N-O 3.14Å; L234-K237 WeakPolarHBondContact O-CB 3.45Å; L234-K237 PolarHBondContact O-N 3.23Å; L234-K237 VanDerWaalsContact O-N 3.11Å; H235-K237 PolarHBondContact O-N 2.83Å; K237-V239 PolarHBondContact O-N 2.93Å |
| 238 | M | 90.9 | Very high | 87.6 | Confident | 100 Ų | 100 | 76.9 Ų | 76.9 | 49% | 0.493 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 121.4 | 172 | -46.8 | -49.6 | -50.9 | 0 | 0 | 110.4 | F231 D233 | F231-M238 HydrophobicContact CB-CE 3.82Å; D233-M238 VanDerWaalsContact OD1-SD 3.33Å |
| 239 | V | 94 | Very high | 86.4 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 124.8 | 172.7 | 173.7 | 0 | 0 | 0 | 0 | 108.4 | I173 G174 V176 F231 H232 L234 K237 | I173-V239 HydrophobicContact CG2-CG1 3.29Å; G174-V239 CarbonylContact O-C 3.6Å; G174-V239 WeakPolarHBondContact O-CA 3.42Å; G174-V239 WeakPolarHBondContact O-CG1 3.25Å; V176-V239 HydrophobicContact CG2-CG1 4.35Å; F231-V239 CarbonylContact C-O 3.58Å; F231-V239 WeakPolarHBondContact CA-O 3.22Å; H232-V239 PolarHBondContact N-O 3.03Å; H232-V239 WeakPolarHBondContact O-CB 3.36Å; H232-V239 PolarHBondContact O-N 3.23Å; L234-V239 HydrophobicContact CB-CG2 3.9Å; L234-V239 HydrophobicContact CD1-CB 4.19Å; L234-V239 HydrophobicContact CD1-CG1 4.3Å; L234-V239 HydrophobicContact CD1-CG2 3.97Å; K237-V239 PolarHBondContact O-N 2.93Å |
| 240 | E | 93.3 | Very high | 85.2 | Confident | 62 Ų | 62 | 74.1 Ų | 74.1 | 29% | 0.29 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 124.9 | -173.9 | -170.4 | -170.2 | -142.9 | 0 | 0 | 111.1 | G174 H230 F231 K242 | G174-E240 PolarHBondContact N-O 3.28Å; G174-E240 PolarHBondContact O-N 3.25Å; H230-E240 CarbonylContact O-C 3.6Å; H230-E240 WeakPolarHBondContact O-CA 3.45Å; F231-E240 HydrophobicContact CD1-CB 4.4Å; F231-E240 HydrophobicContact CD1-CG 4.42Å; F231-E240 HydrophobicContact CE1-CB 4.35Å; F231-E240 HydrophobicContact CE1-CG 4.06Å; E240-K242 WeakPolarHBondContact OE1-CE 3.37Å; E240-K242 IonicContact OE1-NZ 2.64Å; E240-K242 PolarHBondContact OE1-NZ 3.34Å; E240-K242 WeakPolarHBondContact OE2-CE 3.5Å; E240-K242 IonicContact OE2-NZ 3.39Å; E240-K242 PolarHBondContact OE2-NZ 2.99Å |
| 241 | A | 93.2 | Very high | 84.1 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 130.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V171 I173 V226 H230 | V171-A241 HydrophobicContact CG1-CB 4.21Å; I173-A241 HydrophobicContact CD1-CB 4.11Å; V226-A241 HydrophobicContact CG1-CB 3.74Å; V226-A241 WeakPolarHBondContact O-CB 3.4Å; H230-A241 PolarHBondContact O-N 3.16Å |
| 242 | K | 91.2 | Very high | 82.4 | Confident | 88 Ų | 88 | 71.2 Ų | 71.2 | 38% | 0.383 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 147.3 | -179.9 | -73.4 | 171.3 | 173.6 | 155.8 | 0 | 111 | V171 F172 E240 A244 | V171-K242 CarbonylContact C-O 3.59Å; V171-K242 WeakPolarHBondContact CG1-O 3.45Å; F172-K242 HydrophobicContact CD1-CB 4.39Å; F172-K242 PolarHBondContact N-O 3.34Å; F172-K242 PolarHBondContact O-N 2.95Å; E240-K242 WeakPolarHBondContact OE1-CE 3.37Å; E240-K242 IonicContact OE1-NZ 2.64Å; E240-K242 PolarHBondContact OE1-NZ 3.34Å; E240-K242 WeakPolarHBondContact OE2-CE 3.5Å; E240-K242 IonicContact OE2-NZ 3.39Å; E240-K242 PolarHBondContact OE2-NZ 2.99Å; K242-A244 PolarHBondContact O-N 2.89Å |
| 243 | K | 89.6 | Confident | 80.5 | Confident | 46 Ų | 46 | 76.7 Ų | 76.7 | 20% | 0.2 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 129.7 | 170.6 | -66.6 | -172.6 | 176.7 | 179.6 | 0 | 110 | S165 E224 C227 V245 | S165-K243 PolarHBondContact OG-NZ 3.24Å; E224-K243 IonicContact OE1-NZ 3.46Å; E224-K243 PolarHBondContact OE1-NZ 3.27Å; C227-K243 HydrophobicContact CB-CG 4.09Å; C227-K243 WeakPolarHBondContact SG-CG 3.42Å; C227-K243 PolarHBondContact SG-N 3.23Å; C227-K243 VanDerWaalsContact SG-N 3.36Å; K243-V245 PolarHBondContact O-N 3Å |
| 244 | A | 87.9 | Confident | 78.8 | Confident | 5 Ų | 5 | 78 Ų | 78 | 4% | 0.041 | 41% | 0.405 | C | S | . | . | trans | -78.2 | 114.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R170 F172 F214 K242 | R170-A244 HydrophobicContact CB-CB 4.07Å; R170-A244 HydrophobicContact CG-CB 3.83Å; R170-A244 WeakPolarHBondContact O-CB 3.35Å; R170-A244 PolarHBondContact O-N 2.94Å; F172-A244 HydrophobicContact CB-CB 4.31Å; F214-A244 HydrophobicContact CD1-CB 4.06Å; F214-A244 HydrophobicContact CE1-CB 4.23Å; K242-A244 PolarHBondContact O-N 2.89Å | ||
| 245 | V | 84.3 | Confident | 77.1 | Confident | 68 Ų | 68 | 80.7 Ų | 80.7 | 41% | 0.412 | 43% | 0.425 | S | S | . | . | trans | -66.7 | 132 | 170.6 | -174.6 | 0 | 0 | 0 | 0 | 109.4 | K243 V249 M250 | K243-V245 PolarHBondContact O-N 3Å; V245-V249 HydrophobicContact CG1-CB 3.92Å; V245-V249 HydrophobicContact CG1-CG1 4.12Å; V245-M250 HydrophobicContact CB-CE 3.81Å; V245-M250 HydrophobicContact CB-CG 4.4Å; V245-M250 HydrophobicContact CG1-CG 4.39Å; V245-M250 HydrophobicContact CG2-CE 4.48Å | ||
| 246 | P | 79.9 | Confident | 75.6 | Confident | 59 Ų | 59 | 81.3 Ų | 81.3 | 38% | 0.383 | 43% | 0.431 | S | S | . | . | trans | -53.9 | 141.8 | 178.5 | -29.6 | 36.4 | 0 | 0 | 0 | 113.9 | E248 V249 M250 | P246-E248 PolarHBondContact O-N 3.11Å; P246-E248 VanDerWaalsContact O-N 3.1Å; P246-V249 PolarHBondContact O-N 3.2Å; P246-V249 VanDerWaalsContact O-N 3.09Å; P246-M250 PolarHBondContact O-N 3.34Å | ||
| 247 | K | 73.1 | Confident | 74.2 | Confident | 110 Ų | 110 | 79 Ų | 79 | 48% | 0.478 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -57 | -29.3 | -176.5 | -67.8 | -179.9 | 179.4 | 175.8 | 0 | 112.4 | E199 M250 S251 | E199-K247 IonicContact OE1-NZ 3.12Å; E199-K247 PolarHBondContact OE1-NZ 2.87Å; E199-K247 IonicContact OE2-NZ 2.65Å; K247-M250 PolarHBondContact O-N 3.3Å; K247-S251 WeakPolarHBondContact O-CB 3.34Å; K247-S251 PolarHBondContact O-N 2.96Å; K247-S251 VanDerWaalsContact O-N 3.09Å; K247-S251 PolarHBondContact O-OG 3.44Å |
| 248 | E | 70.6 | Confident | 72.6 | Confident | 165 Ų | 165 | 83.5 Ų | 83.5 | 77% | 0.771 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -58.2 | -50.9 | 174.8 | -66.4 | 167.8 | -157.3 | 0 | 0 | 112.6 | P246 M250 S251 | P246-E248 PolarHBondContact O-N 3.11Å; P246-E248 VanDerWaalsContact O-N 3.1Å; E248-M250 PolarHBondContact O-N 2.82Å; E248-S251 PolarHBondContact O-N 3.05Å |
| 249 | V | 64.9 | Low | 70.9 | Confident | 87 Ų | 87 | 86.2 Ų | 86.2 | 53% | 0.527 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.6 | -36.2 | -179.3 | -175.2 | 0 | 0 | 0 | 0 | 111.2 | V245 P246 | V245-V249 HydrophobicContact CG1-CB 3.92Å; V245-V249 HydrophobicContact CG1-CG1 4.12Å; P246-V249 PolarHBondContact O-N 3.2Å; P246-V249 VanDerWaalsContact O-N 3.09Å |
| 250 | M | 64.2 | Low | 69.1 | Low | 85 Ų | 85 | 96 Ų | 96 | 42% | 0.419 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.9 | -34.6 | 177.8 | -68.5 | -162.6 | 177.3 | 0 | 0 | 113.5 | V245 P246 K247 E248 T252 | V245-M250 HydrophobicContact CB-CE 3.81Å; V245-M250 HydrophobicContact CB-CG 4.4Å; V245-M250 HydrophobicContact CG1-CG 4.39Å; V245-M250 HydrophobicContact CG2-CE 4.48Å; P246-M250 PolarHBondContact O-N 3.34Å; K247-M250 PolarHBondContact O-N 3.3Å; E248-M250 PolarHBondContact O-N 2.82Å; M250-T252 PolarHBondContact O-N 3.37Å |
| 251 | S | 62.2 | Low | 67.2 | Low | 71 Ų | 71 | 101.4 Ų | 101.4 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.3 | -32.2 | -169.9 | -63.8 | 0 | 0 | 0 | 0 | 113.5 | K247 E248 S255 | K247-S251 WeakPolarHBondContact O-CB 3.34Å; K247-S251 PolarHBondContact O-N 2.96Å; K247-S251 VanDerWaalsContact O-N 3.09Å; K247-S251 PolarHBondContact O-OG 3.44Å; E248-S251 PolarHBondContact O-N 3.05Å; S251-S255 PolarHBondContact O-OG 2.95Å |
| 252 | T | 56.8 | Low | 65.4 | Low | 82 Ų | 82 | 109.6 Ų | 109.6 | 50% | 0.503 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.1 | -45.8 | 179.5 | -53.3 | 0 | 0 | 0 | 0 | 112.1 | M250 N254 S255 L256 | M250-T252 PolarHBondContact O-N 3.37Å; T252-N254 PolarHBondContact O-N 3.27Å; T252-S255 WeakPolarHBondContact O-CB 3.48Å; T252-S255 PolarHBondContact O-N 3.17Å; T252-L256 HydrophobicContact CG2-CD1 3.98Å; T252-L256 VanDerWaalsContact O-CD1 3.31Å; T252-L256 WeakPolarHBondContact O-CD1 3.49Å |
| 253 | N | 53.6 | Low | 63.6 | Low | 118 Ų | 118 | 114.1 Ų | 114.1 | 63% | 0.631 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.8 | -35.6 | -173.6 | -71.3 | -17.2 | 0 | 0 | 0 | 113.3 | S255 | N253-S255 VanDerWaalsContact C-N 3.28Å; N253-S255 PolarHBondContact O-N 2.89Å |
| 254 | N | 54.6 | Low | 61.9 | Low | 126 Ų | 126 | 119.4 Ų | 119.4 | 67% | 0.674 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -75.9 | -14.5 | 177.2 | -104.6 | -15.1 | 0 | 0 | 0 | 113.7 | T252 | T252-N254 PolarHBondContact O-N 3.27Å |
| 255 | S | 52.5 | Low | 60 | Low | 70 Ų | 70 | 131.3 Ų | 131.3 | 49% | 0.49 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -87 | -44.6 | -174.5 | -60.3 | 0 | 0 | 0 | 0 | 112.2 | S251 T252 N253 I257 K258 | S251-S255 PolarHBondContact O-OG 2.95Å; T252-S255 WeakPolarHBondContact O-CB 3.48Å; T252-S255 PolarHBondContact O-N 3.17Å; N253-S255 VanDerWaalsContact C-N 3.28Å; N253-S255 PolarHBondContact O-N 2.89Å; S255-I257 VanDerWaalsContact C-N 3.28Å; S255-I257 PolarHBondContact O-N 3.07Å; S255-K258 PolarHBondContact O-N 3.2Å |
| 256 | L | 53.9 | Low | 58.5 | Low | 112 Ų | 112 | 132.2 Ų | 132.2 | 59% | 0.586 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -63.4 | -31.1 | -178.7 | -81.5 | 79.7 | 0 | 0 | 0 | 113.2 | T252 K258 Q259 | T252-L256 HydrophobicContact CG2-CD1 3.98Å; T252-L256 VanDerWaalsContact O-CD1 3.31Å; T252-L256 WeakPolarHBondContact O-CD1 3.49Å; L256-K258 VanDerWaalsContact C-N 3.29Å; L256-K258 PolarHBondContact O-N 3.3Å; L256-Q259 PolarHBondContact O-N 2.7Å |
| 257 | I | 57.1 | Low | 57.1 | Low | 121 Ų | 121 | 135.4 Ų | 135.4 | 62% | 0.621 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -64.9 | -34.5 | 179.8 | -65.2 | 172.6 | 0 | 0 | 0 | 111.2 | S255 | S255-I257 VanDerWaalsContact C-N 3.28Å; S255-I257 PolarHBondContact O-N 3.07Å |
| 258 | K | 56.5 | Low | 56.1 | Low | 178 Ų | 178 | 138.7 Ų | 138.7 | 77% | 0.774 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -75.8 | -27.1 | -178.4 | -72.8 | -171.6 | 174.2 | -175.4 | 0 | 114.2 | S255 L256 | S255-K258 PolarHBondContact O-N 3.2Å; L256-K258 VanDerWaalsContact C-N 3.29Å; L256-K258 PolarHBondContact O-N 3.3Å |
| 259 | Q | 56.2 | Low | 55.4 | Low | 158 Ų | 158 | 134.6 Ų | 134.6 | 74% | 0.738 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -77.9 | -21.3 | 179.4 | -77.7 | -165.7 | -47.6 | 0 | 0 | 114.2 | L256 H261 | L256-Q259 PolarHBondContact O-N 2.7Å; Q259-H261 PolarHBondContact O-N 3.44Å; Q259-H261 VanDerWaalsContact O-N 3.09Å |
| 260 | R | 54.7 | Low | 54.9 | Low | 206 Ų | 206 | 139 Ų | 139 | 78% | 0.777 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -3.7 | -176.2 | -68.3 | -173.5 | 72.9 | 103.7 | -2.1 | 115.3 | ||
| 261 | H | 54 | Low | 54.2 | Low | 175 Ų | 175 | 145 Ų | 145 | 81% | 0.81 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | 6.5 | -172.2 | -97.7 | 60.2 | 0 | 0 | 0 | 116.3 | Q259 | Q259-H261 PolarHBondContact O-N 3.44Å; Q259-H261 VanDerWaalsContact O-N 3.09Å |
| 262 | Q | 55.8 | Low | 53.3 | Low | 172 Ų | 172 | 149 Ų | 149 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -111.8 | -5.1 | 178.8 | -73 | -165.5 | -13.6 | 0 | 0 | 116.2 | ||
| 263 | F | 52.7 | Low | 52.8 | Low | 182 Ų | 182 | 150.3 Ų | 150.3 | 80% | 0.798 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -118.2 | 13.7 | -168 | -78.6 | -78.6 | 0 | 0 | 0 | 116.6 | ||
| 264 | I | 53.9 | Low | 52.5 | Low | 158 Ų | 158 | 148.9 Ų | 148.9 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | trans | -127.1 | 71.2 | 177.6 | -48.1 | -178.9 | 0 | 0 | 0 | 110.6 | ||||
| 265 | R | 48 | Very low | 51.9 | Low | 254 Ų | 254 | 151.2 Ų | 151.2 | 96% | 0.958 | 76% | 0.762 | S | S | * | * | trans | -153.2 | 84.3 | 165.2 | -120.2 | -176.7 | 178 | -165 | -2.7 | 111.5 | ||||
| 266 | A | 54.3 | Low | 51.5 | Low | 88 Ų | 88 | 154.2 Ų | 154.2 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -134.9 | 122.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 267 | P | 50 | Low | 51.1 | Low | 125 Ų | 125 | 156.3 Ų | 156.3 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | trans | -79.2 | 129.5 | 177.9 | 31.3 | -32 | 0 | 0 | 0 | 110.2 | ||||
| 268 | I | 52.3 | Low | 50.4 | Low | 179 Ų | 179 | 154 Ų | 154 | 92% | 0.918 | 79% | 0.79 | S | S | * | * | trans | -91.1 | 114.3 | 171.4 | -61.3 | 176.7 | 0 | 0 | 0 | 108 | ||||
| 269 | S | 55.6 | Low | 49.7 | Very low | 80 Ų | 80 | 150.4 Ų | 150.4 | 56% | 0.559 | 79% | 0.793 | S | S | * | * | trans | -117.6 | 123.8 | -178.9 | 54.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 270 | H | 54.8 | Low | 49 | Very low | 180 Ų | 180 | 147.8 Ų | 147.8 | 83% | 0.833 | 80% | 0.799 | S | S | * | * | trans | 72.5 | 97.9 | 157.8 | -41.5 | -34.7 | 0 | 0 | 0 | 118.6 | ||||
| 271 | F | 48.9 | Very low | 48.4 | Very low | 209 Ų | 209 | 142.8 Ų | 142.8 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | trans | -152.4 | 136.6 | 131.3 | -141.9 | -103.6 | 0 | 0 | 0 | 111.8 | ||||
| 272 | L | 42.6 | Very low | 47.9 | Very low | 156 Ų | 156 | 139 Ų | 139 | 82% | 0.817 | 80% | 0.8 | S | S | * | * | trans | -174.4 | 169 | -172.1 | -101.1 | 177.3 | 0 | 0 | 0 | 106.6 | ||||
| 273 | P | 47.2 | Very low | 47.4 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 71% | 0.708 | 80% | 0.804 | S | S | * | * | cis | -134.3 | -152.1 | -7.5 | 42.1 | -23.2 | 0 | 0 | 0 | 112.6 | ||||
| 274 | A | 47.3 | Very low | 47 | Very low | 88 Ų | 88 | 131.4 Ų | 131.4 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | 76.3 | 137.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 275 | Q | 42 | Very low | 46.5 | Very low | 175 Ų | 175 | 128.6 Ų | 128.6 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | cis | -128.1 | -174.1 | 15.8 | -75.5 | -171.5 | -5.1 | 0 | 0 | 111.7 | ||||
| 276 | L | 44 | Very low | 46.2 | Very low | 134 Ų | 134 | 121.4 Ų | 121.4 | 70% | 0.702 | 80% | 0.796 | S | S | * | * | cis | -143.6 | -114 | 10.4 | -144.1 | 170.8 | 0 | 0 | 0 | 113 | ||||
| 277 | N | 44.6 | Very low | 45.8 | Very low | 155 Ų | 155 | 121.8 Ų | 121.8 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | trans | -121.4 | 159 | -165.2 | -78.1 | -13.4 | 0 | 0 | 0 | 115.2 | ||||
| 278 | G | 42.1 | Very low | 45.5 | Very low | 74 Ų | 74 | 120.3 Ų | 120.3 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | trans | 126.3 | 77.2 | 159.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 279 | A | 43.1 | Very low | 45.3 | Very low | 101 Ų | 101 | 116.3 Ų | 116.3 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | 95.8 | 139.8 | 66.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 280 | A | 41.1 | Very low | 45.1 | Very low | 103 Ų | 103 | 116.2 Ų | 116.2 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | trans | 66.1 | 123 | -166.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 281 | A | 43.3 | Very low | 44.7 | Very low | 102 Ų | 102 | 117.6 Ų | 117.6 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | cis | 98 | 143.4 | 35.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 282 | A | 43.5 | Very low | 44.8 | Very low | 94 Ų | 94 | 113.2 Ų | 113.2 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | cis | -169.4 | 161.2 | -18.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 283 | A | 45.3 | Very low | 45 | Very low | 107 Ų | 107 | 113 Ų | 113 | 88% | 0.884 | 78% | 0.779 | S | S | * | * | trans | 63.2 | 159 | 171.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 284 | A | 42.8 | Very low | 45.2 | Very low | 89 Ų | 89 | 113.7 Ų | 113.7 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | cis | -137.4 | 155.5 | -6 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 285 | A | 44 | Very low | 44.9 | Very low | 99 Ų | 99 | 114.2 Ų | 114.2 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | cis | 66.5 | 139.8 | 42.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 286 | A | 42.4 | Very low | 45.4 | Very low | 102 Ų | 102 | 112.2 Ų | 112.2 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | cis | -170.6 | 143.7 | -21.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 287 | A | 44.4 | Very low | 45.7 | Very low | 97 Ų | 97 | 111 Ų | 111 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | trans | -169.1 | 125.8 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 288 | A | 43.6 | Very low | 46 | Very low | 93 Ų | 93 | 109.2 Ų | 109.2 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | 70.7 | 94.9 | 56.1 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 289 | A | 48.3 | Very low | 46.1 | Very low | 95 Ų | 95 | 113.5 Ų | 113.5 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | 86.2 | 149.5 | 89.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 290 | S | 52.6 | Low | 46.1 | Very low | 79 Ų | 79 | 115.2 Ų | 115.2 | 55% | 0.552 | 79% | 0.79 | S | S | * | * | cis | -157.2 | 177.5 | 22.5 | -65.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 291 | Y | 46.4 | Very low | 46.2 | Very low | 208 Ų | 208 | 114.7 Ų | 114.7 | 82% | 0.816 | 79% | 0.786 | S | S | * | * | trans | 75.3 | 132.5 | 161.6 | -45.3 | -55.6 | 0 | 0 | 0 | 117.2 | ||||
| 292 | T | 51.2 | Low | 46.1 | Very low | 117 Ų | 117 | 121 Ų | 121 | 72% | 0.718 | 79% | 0.788 | S | S | * | * | cis | 76.3 | 130.7 | 35.1 | 72.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 293 | L | 46.4 | Very low | 45.8 | Very low | 151 Ų | 151 | 125.3 Ų | 125.3 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | cis | -154.7 | 171.1 | 17.6 | -118.2 | 154 | 0 | 0 | 0 | 113.2 | ||||
| 294 | T | 49.7 | Very low | 45.7 | Very low | 125 Ų | 125 | 125.1 Ų | 125.1 | 77% | 0.767 | 78% | 0.781 | S | S | * | * | trans | -30.5 | 150.1 | 175 | 48.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 295 | A | 42.8 | Very low | 45.6 | Very low | 99 Ų | 99 | 125.8 Ų | 125.8 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | -162 | 149.2 | 121.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 296 | T | 52.4 | Low | 45.5 | Very low | 132 Ų | 132 | 126 Ų | 126 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | -47.1 | 160.8 | 167.5 | 45.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 297 | S | 49.5 | Very low | 45.5 | Very low | 109 Ų | 109 | 131.6 Ų | 131.6 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | cis | -159.9 | 173.4 | 12.2 | -115.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 298 | P | 51.3 | Low | 45.3 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | trans | -102.2 | 156 | -159.9 | 38.2 | -36.2 | 0 | 0 | 0 | 117.5 | ||||
| 299 | I | 44.1 | Very low | 45.2 | Very low | 164 Ų | 164 | 137 Ų | 137 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | trans | -149.3 | 142.8 | 153.6 | -112 | 167.1 | 0 | 0 | 0 | 111.7 | ||||
| 300 | T | 42.7 | Very low | 45.4 | Very low | 137 Ų | 137 | 140.8 Ų | 140.8 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | 4.3 | 108.3 | 166.4 | -50 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 301 | A | 42.5 | Very low | 45 | Very low | 92 Ų | 92 | 141.6 Ų | 141.6 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | trans | -154.4 | 115.3 | 154.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 302 | R | 42 | Very low | 45 | Very low | 235 Ų | 235 | 135.5 Ų | 135.5 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | trans | 27 | 102.2 | 134 | -167.4 | 178.2 | -173.4 | 174.8 | 0.7 | 119.1 | ||||
| 303 | Q | 37.6 | Very low | 44.3 | Very low | 183 Ų | 183 | 140.3 Ų | 140.3 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | trans | -69.4 | 137.7 | 162.9 | -77.1 | -76.2 | -28.2 | 0 | 0 | 112.4 | ||||
| 304 | P | 42 | Very low | 44.1 | Very low | 103 Ų | 103 | 143.8 Ų | 143.8 | 67% | 0.669 | 81% | 0.806 | S | S | * | * | trans | -143.7 | 149.6 | 130.5 | 37.7 | -24.4 | 0 | 0 | 0 | 115.1 | ||||
| 305 | S | 42.4 | Very low | 43.8 | Very low | 103 Ų | 103 | 145.5 Ų | 145.5 | 72% | 0.72 | 81% | 0.81 | S | S | * | * | trans | 46.6 | 94.9 | 150.8 | 179.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 306 | A | 40.6 | Very low | 44 | Very low | 105 Ų | 105 | 145.6 Ų | 145.6 | 87% | 0.868 | 80% | 0.804 | S | S | * | * | trans | -97.9 | 116.1 | 157.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 307 | Y | 42.1 | Very low | 44 | Very low | 218 Ų | 218 | 145.6 Ų | 145.6 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | trans | -80.2 | 144.8 | 161.6 | -100.4 | -101.1 | 0 | 0 | 0 | 109.5 | ||||
| 308 | A | 40.9 | Very low | 43.7 | Very low | 98 Ų | 98 | 143.7 Ų | 143.7 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | trans | -126.1 | 130.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 309 | Y | 42.6 | Very low | 43.2 | Very low | 205 Ų | 205 | 147.4 Ų | 147.4 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -79.3 | 143.6 | -174.4 | -111.3 | -114.2 | 0 | 0 | 0 | 112.6 | P311 | Y309-P311 HydrophobicContact CD1-CG 4.22Š| ||
| 310 | L | 51.1 | Low | 43.2 | Very low | 176 Ų | 176 | 145.6 Ų | 145.6 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -147 | 113.4 | 143.7 | -80.8 | -173.4 | 0 | 0 | 0 | 109.4 | ||||
| 311 | P | 44.4 | Very low | 43.6 | Very low | 96 Ų | 96 | 144.7 Ų | 144.7 | 62% | 0.623 | 81% | 0.808 | S | S | * | * | trans | -98.8 | 144.7 | 173.2 | 35.5 | -27.9 | 0 | 0 | 0 | 111.6 | Y309 | Y309-P311 HydrophobicContact CD1-CG 4.22Š| ||
| 312 | G | 46.2 | Very low | 43.6 | Very low | 79 Ų | 79 | 148 Ų | 148 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | trans | -156.7 | 116.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 313 | Y | 37 | Very low | 44 | Very low | 218 Ų | 218 | 140.9 Ų | 140.9 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | -95.3 | 140.6 | -175.7 | -69.5 | -97.5 | 0 | 0 | 0 | 111.7 | ||||
| 314 | Y | 41.9 | Very low | 44.5 | Very low | 225 Ų | 225 | 141.1 Ų | 141.1 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | trans | -153.2 | 130.8 | 140.2 | -125.5 | -83.2 | 0 | 0 | 0 | 109.4 | ||||
| 315 | L | 44 | Very low | 44.9 | Very low | 161 Ų | 161 | 141.7 Ų | 141.7 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | -154.2 | 116 | -179.4 | -145 | 172.2 | 0 | 0 | 0 | 108.1 | ||||
| 316 | S | 46.7 | Very low | 45.1 | Very low | 100 Ų | 100 | 144.7 Ų | 144.7 | 70% | 0.699 | 81% | 0.811 | S | S | * | * | trans | -88.2 | 136.1 | -179.4 | -59.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 317 | P | 51.8 | Low | 45.6 | Very low | 132 Ų | 132 | 144.9 Ų | 144.9 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | trans | -99.4 | 166.5 | -169.9 | 38.7 | -37.1 | 0 | 0 | 0 | 114.9 | ||||
| 318 | G | 44.5 | Very low | 45.8 | Very low | 70 Ų | 70 | 141 Ų | 141 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | trans | 132.7 | 124.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 319 | E | 40.5 | Very low | 46.5 | Very low | 195 Ų | 195 | 145.5 Ų | 145.5 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | cis | -137.2 | 169.3 | -0.1 | -71.9 | 165.8 | 106.8 | 0 | 0 | 110.5 | ||||
| 320 | C | 43.5 | Very low | 47.1 | Very low | 126 Ų | 126 | 142.7 Ų | 142.7 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | trans | -159.4 | 178.3 | -169.9 | -83.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 321 | P | 51 | Low | 48.1 | Very low | 118 Ų | 118 | 139.5 Ų | 139.5 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | cis | -129.5 | -171.7 | -46.2 | 39.2 | -24.8 | 0 | 0 | 0 | 110.6 | ||||
| 322 | L | 42.8 | Very low | 49.2 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | trans | -157.4 | 141.1 | 150.4 | -108.5 | 167 | 0 | 0 | 0 | 113.4 | ||||
| 323 | S | 50.2 | Low | 49.7 | Very low | 86 Ų | 86 | 143.1 Ų | 143.1 | 60% | 0.601 | 80% | 0.801 | S | S | * | * | trans | -21.6 | 157 | 165.9 | 53.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 324 | Q | 48.9 | Very low | 50.6 | Low | 187 Ų | 187 | 137.8 Ų | 137.8 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | cis | -163.6 | 165.4 | -1.1 | -112 | 165.6 | 9 | 0 | 0 | 109.5 | ||||
| 325 | P | 49.5 | Very low | 51.5 | Low | 115 Ų | 115 | 134.7 Ų | 134.7 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | trans | -97.2 | 160.3 | -175.9 | 38 | -34.2 | 0 | 0 | 0 | 114.5 | ||||
| 326 | L | 47.1 | Very low | 52.1 | Low | 167 Ų | 167 | 134.5 Ų | 134.5 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -138.3 | 139 | 169.6 | -78.8 | 179.4 | 0 | 0 | 0 | 114.6 | ||||
| 327 | S | 50.6 | Low | 53.1 | Low | 108 Ų | 108 | 135.5 Ų | 135.5 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | trans | 39.8 | 108.3 | 152 | 59.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 328 | V | 47.4 | Very low | 53.8 | Low | 136 Ų | 136 | 133.8 Ų | 133.8 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | -37.7 | 135.7 | 146.4 | 179.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 329 | F | 54.9 | Low | 54.3 | Low | 193 Ų | 193 | 140.7 Ų | 140.7 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | -148.7 | 135.3 | 147.5 | -152.1 | -99.5 | 0 | 0 | 0 | 110.6 | ||||
| 330 | L | 54.9 | Low | 55 | Low | 146 Ų | 146 | 136.3 Ų | 136.3 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | trans | -121.3 | 129.1 | 179.4 | -147 | 81.1 | 0 | 0 | 0 | 108.4 | ||||
| 331 | P | 73 | Confident | 55.5 | Low | 109 Ų | 109 | 137.4 Ų | 137.4 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 143.2 | 175.6 | 29.5 | -33.9 | 0 | 0 | 0 | 111 | ||
| 332 | P | 67.2 | Low | 55.6 | Low | 121 Ų | 121 | 137.5 Ų | 137.5 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 156.6 | -176.6 | 32.7 | -36.1 | 0 | 0 | 0 | 113.1 | ||
| 333 | T | 55.8 | Low | 56.3 | Low | 131 Ų | 131 | 137.5 Ų | 137.5 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 128.6 | 168.9 | 43.1 | 0 | 0 | 0 | 0 | 111.6 | ||
| 334 | A | 56.8 | Low | 56.6 | Low | 106 Ų | 106 | 137.5 Ų | 137.5 | 88% | 0.876 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 147 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 335 | I | 61 | Low | 56.9 | Low | 160 Ų | 160 | 136.9 Ų | 136.9 | 82% | 0.821 | 79% | 0.788 | S | S | * | * | trans | -109.2 | 143.6 | -169 | -65.6 | 169.3 | 0 | 0 | 0 | 110.6 | ||||
| 336 | L | 55.2 | Low | 57.5 | Low | 157 Ų | 157 | 141.3 Ų | 141.3 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | trans | -72.7 | 138.2 | 175.3 | -73.7 | 166.3 | 0 | 0 | 0 | 112 | ||||
| 337 | P | 69.4 | Low | 58 | Low | 120 Ų | 120 | 140.1 Ų | 140.1 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | trans | -77.2 | 134.7 | 167.9 | 31.7 | -32.7 | 0 | 0 | 0 | 111.2 | ||||
| 338 | P | 66.4 | Low | 58.4 | Low | 96 Ų | 96 | 141.7 Ų | 141.7 | 62% | 0.623 | 81% | 0.813 | S | S | * | * | trans | -105.2 | 165.3 | 177.5 | 38.2 | -32.9 | 0 | 0 | 0 | 114.2 | ||||
| 339 | Y | 54.2 | Low | 59 | Low | 216 Ų | 216 | 142.1 Ų | 142.1 | 85% | 0.847 | 81% | 0.812 | S | S | * | * | trans | 67.8 | 116.3 | 167.1 | -49.3 | -69.9 | 0 | 0 | 0 | 119.7 | ||||
| 340 | A | 56.3 | Low | 59.2 | Low | 102 Ų | 102 | 139.1 Ų | 139.1 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | -156.8 | 159.8 | 111.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 341 | N | 52.8 | Low | 59.5 | Low | 149 Ų | 149 | 138.6 Ų | 138.6 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | -118.7 | 147.1 | -174.1 | -91.8 | -44.2 | 0 | 0 | 0 | 112.6 | ||||
| 342 | V | 52.9 | Low | 58.6 | Low | 120 Ų | 120 | 140.6 Ų | 140.6 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | trans | 44 | 116 | 140.1 | -176.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 343 | I | 58.3 | Low | 58 | Low | 162 Ų | 162 | 142 Ų | 142 | 83% | 0.831 | 82% | 0.822 | S | S | * | * | trans | -174.2 | 120.6 | 138.3 | -90.9 | 144.9 | 0 | 0 | 0 | 103.8 | ||||
| 344 | S | 56.3 | Low | 58.1 | Low | 87 Ų | 87 | 142.8 Ų | 142.8 | 61% | 0.608 | 82% | 0.824 | S | S | * | * | cis | 88.8 | 106.5 | 27.4 | -161.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 345 | M | 55.3 | Low | 58.2 | Low | 174 Ų | 174 | 145.9 Ų | 145.9 | 86% | 0.857 | 82% | 0.819 | S | S | * | * | trans | 68.5 | 143.4 | 179.2 | -48.9 | -175.5 | -177.2 | 0 | 0 | 114.5 | ||||
| 346 | T | 60.9 | Low | 58 | Low | 208 Ų | 208 | 144.6 Ų | 144.6 | 100% | 1.276 | 82% | 0.819 | S | S | * | * | cis | -122.9 | 0 | 1.4 | 52.3 | 0 | 0 | 0 | 0 | 111.5 |
Retrieved 346 of 346 residues in 398.7 ms
(Link to these results)