| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.3 | Very low | 44.7 | Very low | 218 Ų | 218 | 179 Ų | 179 | 100% | 1.074 | 87% | 0.865 | S | S | * | * | 0 | 151.2 | 0 | -81.6 | 162.1 | 75.7 | 0 | 0 | 109.2 | |||||
| 2 | F | 46.1 | Very low | 44.6 | Very low | 196 Ų | 196 | 174.2 Ų | 174.2 | 86% | 0.86 | 86% | 0.864 | S | S | * | * | trans | 84.3 | 109.5 | 177.3 | -56.7 | -72.8 | 0 | 0 | 0 | 118.6 | ||||
| 3 | R | 54.3 | Low | 44.1 | Very low | 255 Ų | 255 | 169.4 Ų | 169.4 | 96% | 0.962 | 86% | 0.858 | S | S | * | * | trans | -96.1 | 152.8 | 177.6 | -77.9 | 178.6 | 171.8 | 177.7 | -2.9 | 110.8 | ||||
| 4 | K | 45.7 | Very low | 44.3 | Very low | 215 Ų | 215 | 165.1 Ų | 165.1 | 94% | 0.935 | 85% | 0.851 | S | S | * | * | trans | -75.5 | 145.9 | 176.6 | -167.7 | 176.1 | -173.3 | 174.2 | 0 | 112.3 | ||||
| 5 | G | 39.7 | Very low | 44.1 | Very low | 71 Ų | 71 | 166.4 Ų | 166.4 | 73% | 0.732 | 85% | 0.852 | S | S | * | * | trans | 120.7 | 115.6 | 138.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 6 | K | 46 | Very low | 43.5 | Very low | 208 Ų | 208 | 162.4 Ų | 162.4 | 90% | 0.904 | 84% | 0.843 | S | S | * | * | 101.7 | 121 | 120.4 | -149 | 164.7 | -176.5 | 171.8 | 0 | 121 | |||||
| 7 | K | 43.4 | Very low | 43.5 | Very low | 171 Ų | 171 | 160.2 Ų | 160.2 | 74% | 0.743 | 85% | 0.845 | S | S | * | * | trans | -10.5 | 142.5 | 158.7 | -81.9 | -178.6 | 169.8 | -176.7 | 0 | 119.4 | ||||
| 8 | R | 46.2 | Very low | 43.3 | Very low | 237 Ų | 237 | 162.4 Ų | 162.4 | 89% | 0.894 | 85% | 0.85 | S | S | * | * | trans | -118.5 | 122 | 154.3 | -66.9 | 179.1 | 73 | 169.1 | 1.5 | 110 | ||||
| 9 | H | 48.5 | Very low | 43.2 | Very low | 156 Ų | 156 | 162.9 Ų | 162.9 | 72% | 0.722 | 85% | 0.852 | S | S | * | * | trans | -132.5 | 129.9 | 151.4 | -57.7 | -69.7 | 0 | 0 | 0 | 106 | ||||
| 10 | S | 41.9 | Very low | 43.2 | Very low | 121 Ų | 121 | 159.6 Ų | 159.6 | 85% | 0.846 | 84% | 0.843 | S | S | * | * | trans | -167 | 129.6 | 150.6 | 27.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 11 | S | 38 | Very low | 43.1 | Very low | 121 Ų | 121 | 158.4 Ų | 158.4 | 85% | 0.846 | 84% | 0.842 | S | S | * | * | trans | -64.6 | 152.3 | 172.5 | 37.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 12 | S | 43.8 | Very low | 42.9 | Very low | 121 Ų | 121 | 157.1 Ų | 157.1 | 85% | 0.846 | 83% | 0.831 | S | S | * | * | trans | -119.5 | 128 | 160.7 | 67.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 13 | S | 37.8 | Very low | 42.7 | Very low | 112 Ų | 112 | 152.7 Ų | 152.7 | 78% | 0.783 | 82% | 0.824 | S | S | * | * | trans | -86 | 150.9 | 173.5 | 44.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 14 | S | 46.9 | Very low | 42.1 | Very low | 109 Ų | 109 | 150.7 Ų | 150.7 | 76% | 0.762 | 82% | 0.822 | S | S | * | * | trans | -162.8 | 109.6 | 150.3 | -68.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 15 | Q | 40.4 | Very low | 41.8 | Very low | 185 Ų | 185 | 145.5 Ų | 145.5 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | 55 | 136.2 | 96.9 | -79.8 | -174.6 | -14.7 | 0 | 0 | 113.3 | |||||
| 16 | S | 35.2 | Very low | 41.9 | Very low | 102 Ų | 102 | 148.5 Ų | 148.5 | 71% | 0.713 | 82% | 0.817 | S | S | * | * | cis | 171.3 | 135 | -16.3 | 40.7 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 17 | S | 43.6 | Very low | 41.6 | Very low | 126 Ų | 126 | 145 Ų | 145 | 88% | 0.881 | 81% | 0.808 | S | S | * | * | trans | -175.2 | 116.9 | 151.5 | 41 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 18 | E | 40.3 | Very low | 41.5 | Very low | 199 Ų | 199 | 142.6 Ų | 142.6 | 93% | 0.93 | 81% | 0.813 | S | S | * | * | trans | -76.3 | 147.7 | 165.2 | -57.6 | 174.4 | 114.2 | 0 | 0 | 110.1 | ||||
| 19 | I | 40.5 | Very low | 41.3 | Very low | 172 Ų | 172 | 136 Ų | 136 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | trans | -157.6 | 136.1 | 136.6 | -160 | 159.7 | 0 | 0 | 0 | 111.6 | ||||
| 20 | S | 42.7 | Very low | 41.1 | Very low | 97 Ų | 97 | 136.9 Ų | 136.9 | 68% | 0.678 | 81% | 0.812 | S | S | * | * | trans | -89.1 | 149.9 | 176.9 | 166.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 21 | T | 42.3 | Very low | 40.9 | Very low | 135 Ų | 135 | 135.1 Ų | 135.1 | 83% | 0.828 | 81% | 0.813 | S | S | * | * | trans | 178.6 | 110.3 | 131.7 | 36.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 22 | K | 37.6 | Very low | 41.1 | Very low | 191 Ų | 191 | 133.3 Ų | 133.3 | 83% | 0.83 | 81% | 0.814 | S | S | * | * | 33.7 | 111.5 | 123.7 | -145.3 | 173 | -172.6 | 178.7 | 0 | 120.2 | |||||
| 23 | S | 41.3 | Very low | 40.8 | Very low | 103 Ų | 103 | 135.6 Ų | 135.6 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | 39.2 | 132.1 | 129.9 | -37.2 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 24 | K | 41.3 | Very low | 41 | Very low | 213 Ų | 213 | 135.3 Ų | 135.3 | 93% | 0.926 | 81% | 0.813 | S | S | * | * | -171 | 143.5 | 124.2 | -104.6 | 166.5 | -174.9 | -175.8 | 0 | 113.9 | |||||
| 25 | S | 40.2 | Very low | 41.2 | Very low | 106 Ų | 106 | 142.2 Ų | 142.2 | 74% | 0.741 | 82% | 0.823 | S | S | * | * | trans | -95 | -174.7 | 177.1 | 44.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 26 | V | 41.6 | Very low | 41.3 | Very low | 133 Ų | 133 | 139.3 Ų | 139.3 | 81% | 0.806 | 82% | 0.823 | S | S | * | * | trans | 89.5 | 106 | 159 | -107.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 27 | D | 39 | Very low | 41.8 | Very low | 136 Ų | 136 | 140 Ų | 140 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | 29.3 | 135.5 | 125.2 | -159.7 | 24.1 | 0 | 0 | 0 | 122 | |||||
| 28 | S | 42.2 | Very low | 42 | Very low | 120 Ų | 120 | 140 Ų | 140 | 84% | 0.839 | 82% | 0.823 | S | S | * | * | trans | -155.5 | 131.5 | 140.3 | -22 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 29 | S | 41.6 | Very low | 42.3 | Very low | 97 Ų | 97 | 137.7 Ų | 137.7 | 68% | 0.678 | 82% | 0.821 | S | S | * | * | trans | -94 | 174.3 | -178.2 | -146.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 30 | L | 44.2 | Very low | 42.5 | Very low | 175 Ų | 175 | 133.8 Ų | 133.8 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | trans | 90.9 | 120.4 | 156.1 | -63.9 | 154.7 | 0 | 0 | 0 | 120.4 | ||||
| 31 | G | 38.9 | Very low | 42.5 | Very low | 84 Ų | 84 | 134.4 Ų | 134.4 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | trans | 141.9 | 109.9 | 135.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 32 | G | 42.3 | Very low | 42.8 | Very low | 84 Ų | 84 | 135.6 Ų | 135.6 | 87% | 0.866 | 82% | 0.82 | S | S | * | * | trans | 152.8 | 90.2 | 158.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 33 | L | 37.8 | Very low | 43.2 | Very low | 168 Ų | 168 | 134.1 Ų | 134.1 | 88% | 0.88 | 82% | 0.821 | S | S | * | * | trans | -78.3 | 145.7 | 179.1 | -69.8 | 165 | 0 | 0 | 0 | 113.5 | ||||
| 34 | S | 40.8 | Very low | 43.8 | Very low | 106 Ų | 106 | 135.2 Ų | 135.2 | 74% | 0.741 | 82% | 0.824 | S | S | * | * | trans | 68.9 | 127.5 | 140.2 | -60.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 35 | R | 50.8 | Low | 43.8 | Very low | 255 Ų | 255 | 132 Ų | 132 | 96% | 0.962 | 82% | 0.817 | S | S | * | * | -168.1 | 121.8 | 122.7 | -102.5 | 166.1 | 174.2 | -150.6 | -4.7 | 112 | |||||
| 36 | S | 42.4 | Very low | 44.1 | Very low | 124 Ų | 124 | 131.6 Ų | 131.6 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | trans | -68.1 | 149.9 | 172.3 | -67.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 37 | S | 46.4 | Very low | 44.1 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | -163.8 | 129.4 | 129.6 | 53.3 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 38 | T | 47.3 | Very low | 44.3 | Very low | 128 Ų | 128 | 133.7 Ų | 133.7 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | -47 | 146 | 164.9 | 22.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 39 | V | 46.8 | Very low | 44.5 | Very low | 149 Ų | 149 | 133 Ų | 133 | 90% | 0.903 | 81% | 0.81 | S | S | * | * | -175.9 | 156.9 | 106 | -86 | 0 | 0 | 0 | 0 | 113 | |||||
| 40 | A | 45.8 | Very low | 44.6 | Very low | 91 Ų | 91 | 134 Ų | 134 | 75% | 0.752 | 82% | 0.817 | S | S | * | * | trans | -58.9 | 154.6 | -167.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 41 | S | 42.7 | Very low | 44.3 | Very low | 109 Ų | 109 | 128.4 Ų | 128.4 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | trans | -167.4 | 101.1 | 139.6 | -74.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 42 | L | 49 | Very low | 44.6 | Very low | 161 Ų | 161 | 132.9 Ų | 132.9 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | 72.6 | 105.6 | 101.3 | -74.5 | 163.1 | 0 | 0 | 0 | 113.1 | T44 | L42-T44 PolarHBondContact O-N 3.38Š| |||
| 43 | D | 44.7 | Very low | 44.5 | Very low | 160 Ų | 160 | 133.4 Ų | 133.4 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -52.2 | 127.7 | 172.5 | -57.4 | -73 | 0 | 0 | 0 | 111.8 | ||||
| 44 | T | 55.2 | Low | 44.8 | Very low | 126 Ų | 126 | 132.4 Ų | 132.4 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -127.5 | 92 | 152.4 | 33.7 | 0 | 0 | 0 | 0 | 107.2 | L42 S46 | L42-T44 PolarHBondContact O-N 3.38Å; T44-S46 PolarHBondContact O-N 3.32Å | ||
| 45 | D | 41.3 | Very low | 44.8 | Very low | 146 Ų | 146 | 131.3 Ų | 131.3 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | trans | -65.9 | 82.7 | 167.5 | -166.9 | 9.9 | 0 | 0 | 0 | 108.4 | T47 | D45-T47 PolarHBondContact O-N 3.05Š| ||
| 46 | S | 45.1 | Very low | 44.6 | Very low | 96 Ų | 96 | 126.3 Ų | 126.3 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | trans | -90.9 | 88 | 166.1 | -61.4 | 0 | 0 | 0 | 0 | 106.7 | T44 K48 | T44-S46 PolarHBondContact O-N 3.32Å; S46-K48 VanDerWaalsContact C-N 3.35Å; S46-K48 PolarHBondContact O-N 3.3Å | ||
| 47 | T | 41.9 | Very low | 44.8 | Very low | 113 Ų | 113 | 124.3 Ų | 124.3 | 69% | 0.693 | 76% | 0.757 | S | S | * | * | trans | -43 | 102.5 | 160.7 | 43.9 | 0 | 0 | 0 | 0 | 108.4 | D45 S49 | D45-T47 PolarHBondContact O-N 3.05Å; T47-S49 PolarHBondContact O-N 3.46Å | ||
| 48 | K | 43.6 | Very low | 45.2 | Very low | 200 Ų | 200 | 123.7 Ų | 123.7 | 87% | 0.87 | 75% | 0.745 | S | S | * | * | trans | -64.3 | 91.3 | 161.7 | -77.8 | -176.6 | 177.2 | 178.3 | 0 | 105 | S46 S50 | S46-K48 VanDerWaalsContact C-N 3.35Å; S46-K48 PolarHBondContact O-N 3.3Å; K48-S50 VanDerWaalsContact C-N 3.32Å; K48-S50 PolarHBondContact O-N 2.86Å | ||
| 49 | S | 46.4 | Very low | 46.1 | Very low | 107 Ų | 107 | 120.2 Ų | 120.2 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | trans | -56.5 | 110.2 | 156.4 | 59.8 | 0 | 0 | 0 | 0 | 105 | T47 G51 | T47-S49 PolarHBondContact O-N 3.46Å; S49-G51 PolarHBondContact O-N 2.85Å | ||
| 50 | S | 43.6 | Very low | 47.9 | Very low | 117 Ų | 117 | 116.8 Ų | 116.8 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | trans | -64.1 | 73.5 | 157.6 | 50.2 | 0 | 0 | 0 | 0 | 106.2 | K48 Q52 | K48-S50 VanDerWaalsContact C-N 3.32Å; K48-S50 PolarHBondContact O-N 2.86Å; S50-Q52 PolarHBondContact O-N 3.46Å | ||
| 51 | G | 37.3 | Very low | 50.3 | Low | 57 Ų | 57 | 113.7 Ų | 113.7 | 59% | 0.588 | 68% | 0.68 | S | S | * | * | trans | -64.2 | 93.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 105.7 | S49 S53 | S49-G51 PolarHBondContact O-N 2.85Å; G51-S53 PolarHBondContact O-N 3.22Å | ||
| 52 | Q | 46.5 | Very low | 52.8 | Low | 178 Ų | 178 | 113.5 Ų | 113.5 | 83% | 0.832 | 67% | 0.666 | S | S | * | * | trans | -50.6 | 87.8 | 157.1 | -167.2 | 104.1 | 18 | 0 | 0 | 106.5 | S50 N54 | S50-Q52 PolarHBondContact O-N 3.46Å; Q52-N54 PolarHBondContact O-N 3.38Å | ||
| 53 | S | 38.9 | Very low | 55.1 | Low | 96 Ų | 96 | 107.3 Ų | 107.3 | 67% | 0.671 | 63% | 0.633 | S | S | * | * | trans | -72.6 | 93.8 | 170.7 | 44 | 0 | 0 | 0 | 0 | 105.5 | G51 S55 | G51-S53 PolarHBondContact O-N 3.22Å; S53-S55 PolarHBondContact O-N 2.98Å | ||
| 54 | N | 44.1 | Very low | 57.6 | Low | 146 Ų | 146 | 105.8 Ų | 105.8 | 78% | 0.781 | 62% | 0.615 | S | S | * | * | trans | -59.8 | 76.6 | 148.7 | -100.1 | 19.8 | 0 | 0 | 0 | 106.6 | Q52 N56 | Q52-N54 PolarHBondContact O-N 3.38Å; N54-N56 PolarHBondContact O-N 2.86Å | ||
| 55 | S | 41.3 | Very low | 59.6 | Low | 84 Ų | 84 | 99.8 Ų | 99.8 | 59% | 0.587 | 58% | 0.578 | S | S | * | * | trans | -74.2 | 83.6 | 162 | 49.1 | 0 | 0 | 0 | 0 | 105.9 | S53 S57 | S53-S55 PolarHBondContact O-N 2.98Å; S55-S57 PolarHBondContact O-N 3.28Å | ||
| 56 | N | 45.9 | Very low | 62.3 | Low | 149 Ų | 149 | 94.2 Ų | 94.2 | 80% | 0.797 | 55% | 0.547 | S | S | * | . | trans | -61.1 | 71.6 | 136.6 | -82.1 | -7 | 0 | 0 | 0 | 105.6 | N54 D58 | N54-N56 PolarHBondContact O-N 2.86Å; N56-D58 VanDerWaalsContact C-N 3.34Å; N56-D58 PolarHBondContact O-N 2.69Å | ||
| 57 | S | 47.6 | Very low | 64.8 | Low | 83 Ų | 83 | 92.2 Ų | 92.2 | 58% | 0.58 | 53% | 0.525 | S | S | * | . | trans | -65.2 | 108.6 | 166.3 | 51 | 0 | 0 | 0 | 0 | 103.7 | S55 T59 | S55-S57 PolarHBondContact O-N 3.28Å; S57-T59 VanDerWaalsContact C-N 3.34Å; S57-T59 PolarHBondContact O-N 3.01Å | ||
| 58 | D | 53.5 | Low | 67.4 | Low | 102 Ų | 102 | 87.3 Ų | 87.3 | 55% | 0.545 | 50% | 0.495 | S | S | . | . | trans | -48.4 | 109 | 166.3 | -76.2 | -46.4 | 0 | 0 | 0 | 106 | N56 C60 K116 | N56-D58 VanDerWaalsContact C-N 3.34Å; N56-D58 PolarHBondContact O-N 2.69Å; D58-C60 PolarHBondContact O-N 3.43Å; D58-K116 WeakPolarHBondContact OD1-CE 3.19Å; D58-K116 IonicContact OD1-NZ 2.69Å; D58-K116 PolarHBondContact OD1-NZ 2.86Å | ||
| 59 | T | 67.8 | Low | 70 | Confident | 54 Ų | 54 | 78.3 Ų | 78.3 | 33% | 0.331 | 46% | 0.459 | S | S | . | . | trans | -72.4 | 67.5 | -174.6 | 43.6 | 0 | 0 | 0 | 0 | 108.7 | S57 | S57-T59 VanDerWaalsContact C-N 3.34Å; S57-T59 PolarHBondContact O-N 3.01Å | ||
| 60 | C | 84.7 | Confident | 72.4 | Confident | 78 Ų | 78 | 74.4 Ų | 74.4 | 53% | 0.527 | 43% | 0.433 | S | S | . | . | trans | -98.6 | 117.8 | 178.2 | -167.5 | 0 | 0 | 0 | 0 | 108 | D58 V114 | D58-C60 PolarHBondContact O-N 3.43Å; C60-V114 WeakPolarHBondContact CA-O 3.31Å | ||
| 61 | A | 95.1 | Very high | 74.8 | Confident | 26 Ų | 26 | 69.8 Ų | 69.8 | 22% | 0.215 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 136.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | F63 G113 V114 V186 | A61-F63 HydrophobicContact CB-CD2 4.48Å; A61-F63 HydrophobicContact CB-CE2 3.51Å; A61-F63 HydrophobicContact CB-CZ 3.69Å; A61-G113 CarbonylContact O-C 3.58Å; A61-G113 WeakPolarHBondContact O-CA 3.33Å; A61-V114 PolarHBondContact N-O 3.09Å; A61-V114 PolarHBondContact O-N 3.02Å; A61-V186 HydrophobicContact CB-CG1 4.2Å; A61-V186 HydrophobicContact CB-CG2 4.01Å |
| 62 | E | 96.3 | Very high | 77.5 | Confident | 104 Ų | 104 | 72.3 Ų | 72.3 | 49% | 0.486 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 138.1 | 179.9 | -65.1 | -173 | 162.2 | 0 | 0 | 110.7 | I111 M112 | E62-I111 HydrophobicContact CB-CG2 4.14Å; E62-I111 HydrophobicContact CG-CG2 4.35Å; E62-M112 CarbonylContact C-O 3.59Å; E62-M112 WeakPolarHBondContact CA-O 3.38Å |
| 63 | F | 97.1 | Very high | 79.4 | Confident | 31 Ų | 31 | 70.8 Ų | 70.8 | 14% | 0.136 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 140 | -175.4 | -57 | -86.5 | 0 | 0 | 0 | 110.3 | A61 V65 M112 V114 Q179 A182 I183 V186 | A61-F63 HydrophobicContact CB-CD2 4.48Å; A61-F63 HydrophobicContact CB-CE2 3.51Å; A61-F63 HydrophobicContact CB-CZ 3.69Å; F63-V65 HydrophobicContact CB-CG1 4.43Å; F63-M112 PolarHBondContact N-O 2.92Å; F63-M112 PolarHBondContact O-N 3.43Å; F63-V114 HydrophobicContact CD2-CG2 4.27Å; F63-V114 HydrophobicContact CE2-CG2 4.19Å; F63-Q179 HydrophobicContact CB-CG 4.48Å; F63-Q179 HydrophobicContact CD1-CG 3.84Å; F63-A182 HydrophobicContact CE1-CB 3.96Å; F63-A182 HydrophobicContact CZ-CB 4.25Å; F63-I183 HydrophobicContact CB-CD1 3.87Å; F63-I183 HydrophobicContact CB-CG1 4.1Å; F63-I183 HydrophobicContact CD1-CD1 4.26Å; F63-I183 HydrophobicContact CD1-CG1 3.81Å; F63-I183 HydrophobicContact CD2-CD1 4.15Å; F63-I183 HydrophobicContact CD2-CG1 3.43Å; F63-I183 VanDerWaalsContact CD2-CG1 3.43Å; F63-I183 HydrophobicContact CE1-CG1 4.01Å; F63-I183 HydrophobicContact CE2-CB 4.5Å; F63-I183 HydrophobicContact CE2-CG1 3.64Å; F63-I183 HydrophobicContact CG-CD1 3.84Å; F63-I183 HydrophobicContact CG-CG1 3.49Å; F63-I183 VanDerWaalsContact CG-CG1 3.49Å; F63-I183 HydrophobicContact CZ-CG1 3.93Å; F63-V186 HydrophobicContact CZ-CG2 4.3Å |
| 64 | R | 97.3 | Very high | 81.7 | Confident | 128 Ų | 128 | 66.8 Ų | 66.8 | 48% | 0.483 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 122.8 | 170.8 | -69.1 | 173.7 | 176.1 | -94.1 | -6.4 | 109.7 | E109 F110 Q179 | R64-E109 IonicContact NH1-OE2 2.7Å; R64-E109 PolarHBondContact NH1-OE2 2.83Å; R64-F110 WeakPolarHBondContact CA-O 3.36Å; R64-Q179 PolarHBondContact O-NE2 3.15Å; R64-Q179 PolarHBondContact O-OE1 3.17Å |
| 65 | V | 97.3 | Very high | 83.5 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 158.1 | -178.3 | -60.9 | 0 | 0 | 0 | 0 | 110.2 | F63 F110 M112 Y172 I183 | F63-V65 HydrophobicContact CB-CG1 4.43Å; V65-F110 PolarHBondContact N-O 2.97Å; V65-F110 PolarHBondContact O-N 3.28Å; V65-M112 HydrophobicContact CG1-CB 4.3Å; V65-M112 HydrophobicContact CG1-SD 4.5Å; V65-M112 HydrophobicContact CG2-CB 3.76Å; V65-M112 HydrophobicContact CG2-CE 4.14Å; V65-Y172 HydrophobicContact CG2-CD1 4.31Å; V65-I183 HydrophobicContact CG1-CD1 4.11Å |
| 66 | K | 97.8 | Very high | 84.9 | Confident | 29 Ų | 29 | 68.6 Ų | 68.6 | 13% | 0.126 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 145.2 | 169.9 | -67 | -178.7 | 165.2 | -168.8 | 0 | 109.9 | P105 G106 E107 E109 Y172 Q173 | K66-P105 HydrophobicContact CB-CB 3.98Å; K66-P105 HydrophobicContact CB-CG 3.86Å; K66-P105 HydrophobicContact CD-CG 4.16Å; K66-G106 WeakPolarHBondContact CD-O 3.32Å; K66-E107 IonicContact NZ-OE1 2.84Å; K66-E107 IonicContact NZ-OE2 3.38Å; K66-E107 PolarHBondContact NZ-OE2 3.42Å; K66-E109 HydrophobicContact CG-CG 4.42Å; K66-Y172 CarbonylContact O-C 3.58Å; K66-Y172 WeakPolarHBondContact O-CA 3.38Å; K66-Q173 HydrophobicContact CB-CB 4.3Å; K66-Q173 PolarHBondContact N-O 3.19Å; K66-Q173 PolarHBondContact O-N 2.84Å |
| 67 | Y | 97.3 | Very high | 85.9 | Confident | 55 Ų | 55 | 65.2 Ų | 65.2 | 22% | 0.216 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 123.6 | 178.4 | -178.9 | -125.9 | 0 | 0 | 0 | 110.5 | G69 A70 P105 H131 Y172 | Y67-G69 WeakPolarHBondContact CE2-O 3.3Å; Y67-G69 VanDerWaalsContact CZ-C 3.44Å; Y67-G69 VanDerWaalsContact CZ-CA 3.49Å; Y67-G69 VanDerWaalsContact OH-C 3.27Å; Y67-A70 WeakPolarHBondContact OH-CB 3.31Å; Y67-A70 PolarHBondContact OH-N 3.49Å; Y67-P105 VanDerWaalsContact O-CB 3.27Å; Y67-P105 WeakPolarHBondContact O-CB 3.44Å; Y67-H131 AromaticContact CZ-NE2 3.91Å; Y67-Y172 AromaticContact CD2-CD1 3.71Å; Y67-Y172 HydrophobicContact CD2-CD1 3.71Å; Y67-Y172 AromaticContact CD2-CE1 3.41Å; Y67-Y172 HydrophobicContact CD2-CE1 3.41Å; Y67-Y172 VanDerWaalsContact CD2-CE1 3.41Å; Y67-Y172 AromaticContact CE2-CE1 3.93Å; Y67-Y172 HydrophobicContact CE2-CE1 3.93Å; Y67-Y172 HydrophobicContact CG-CE1 4.38Å |
| 68 | V | 97 | Very high | 87 | Confident | 9 Ų | 9 | 65.2 Ų | 65.2 | 6% | 0.055 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | -46.3 | 178.5 | 179.7 | 0 | 0 | 0 | 0 | 109.9 | P102 P105 L154 V171 Q173 | V68-P102 HydrophobicContact CG1-CG 4.07Å; V68-P102 VanDerWaalsContact CG1-O 3.27Å; V68-P102 WeakPolarHBondContact CG1-O 3.4Å; V68-P102 VanDerWaalsContact O-CD 3.28Å; V68-P102 WeakPolarHBondContact O-CD 3.31Å; V68-P102 WeakPolarHBondContact O-CG 3.33Å; V68-P105 HydrophobicContact CB-CB 4.48Å; V68-P105 HydrophobicContact CG2-CB 3.92Å; V68-P105 HydrophobicContact CG2-CG 4.18Å; V68-L154 HydrophobicContact CG2-CD2 4.12Å; V68-V171 HydrophobicContact CB-CB 3.98Å; V68-V171 HydrophobicContact CB-CG1 3.89Å; V68-V171 WeakPolarHBondContact CB-O 3.37Å; V68-V171 HydrophobicContact CG1-CB 4.4Å; V68-V171 HydrophobicContact CG1-CG1 4.21Å; V68-V171 HydrophobicContact CG2-CG1 3.99Å; V68-V171 PolarHBondContact N-O 3.5Å; V68-Q173 HydrophobicContact CG2-CB 4.16Å |
| 69 | G | 96.7 | Very high | 87.7 | Confident | 11 Ų | 11 | 60.7 Ų | 60.7 | 11% | 0.113 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 156.3 | -173.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y67 V171 | Y67-G69 WeakPolarHBondContact CE2-O 3.3Å; Y67-G69 VanDerWaalsContact CZ-C 3.44Å; Y67-G69 VanDerWaalsContact CZ-CA 3.49Å; Y67-G69 VanDerWaalsContact OH-C 3.27Å; G69-V171 PolarHBondContact N-O 2.88Å; G69-V171 PolarHBondContact O-N 3.29Å |
| 70 | A | 96.8 | Very high | 87.7 | Confident | 26 Ų | 26 | 64 Ų | 64 | 22% | 0.215 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 154.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y67 E72 L169 W170 | Y67-A70 WeakPolarHBondContact OH-CB 3.31Å; Y67-A70 PolarHBondContact OH-N 3.49Å; A70-E72 HydrophobicContact CB-CG 4.23Å; A70-L169 CarbonylContact C-O 3.54Å; A70-L169 WeakPolarHBondContact CA-O 3.32Å; A70-L169 WeakPolarHBondContact CB-O 3.41Å; A70-W170 HydrophobicContact CB-CD2 4.04Å; A70-W170 HydrophobicContact CB-CE3 3.4Å; A70-W170 VanDerWaalsContact CB-CE3 3.4Å; A70-W170 HydrophobicContact CB-CH2 4.42Å; A70-W170 HydrophobicContact CB-CZ3 3.61Å |
| 71 | I | 95 | Very high | 87.1 | Confident | 20 Ų | 20 | 66.1 Ų | 66.1 | 10% | 0.103 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 101.3 | 169.2 | -53.7 | 173 | 0 | 0 | 0 | 106 | L74 Y91 A95 L101 S168 L169 | I71-L74 HydrophobicContact CG2-CD1 4.07Å; I71-L74 HydrophobicContact CG2-CD2 3.68Å; I71-L74 HydrophobicContact CG2-CG 3.92Å; I71-Y91 HydrophobicContact CD1-CD1 4.38Å; I71-Y91 HydrophobicContact CD1-CE1 3.89Å; I71-A95 HydrophobicContact CD1-CB 3.46Å; I71-A95 VanDerWaalsContact CD1-CB 3.46Å; I71-L101 HydrophobicContact CD1-CD1 3.75Å; I71-L101 HydrophobicContact CD1-CG 4.11Å; I71-L101 HydrophobicContact CG1-CD1 3.97Å; I71-L101 HydrophobicContact CG1-CD2 4.27Å; I71-L101 HydrophobicContact CG1-CG 4.02Å; I71-S168 CarbonylContact O-C 3.53Å; I71-S168 WeakPolarHBondContact O-CA 3.37Å; I71-L169 HydrophobicContact CB-CB 4.39Å; I71-L169 PolarHBondContact N-O 3.5Å; I71-L169 PolarHBondContact O-N 2.84Å |
| 72 | E | 93.1 | Very high | 86.4 | Confident | 110 Ų | 110 | 65.2 Ų | 65.2 | 51% | 0.514 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 157.9 | -174.8 | -63.1 | -178.8 | -146.6 | 0 | 0 | 112 | A70 L74 W170 | A70-E72 HydrophobicContact CB-CG 4.23Å; E72-L74 VanDerWaalsContact C-N 3.34Å; E72-L74 PolarHBondContact O-N 3.5Å; E72-W170 HydrophobicContact CG-CH2 3.93Å; E72-W170 HydrophobicContact CG-CZ2 4.3Å; E72-W170 HydrophobicContact CG-CZ3 4.48Å |
| 73 | K | 87.1 | Confident | 85.6 | Confident | 146 Ų | 146 | 67.9 Ų | 67.9 | 64% | 0.635 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 57.1 | 41.9 | 171.7 | -52.9 | -176.3 | -178.2 | -179.6 | 0 | 113.9 | K75 C167 S168 | K73-K75 PolarHBondContact O-N 2.92Å; K73-C167 PolarHBondContact N-O 3.24Å; K73-S168 PolarHBondContact N-OG 3.43Å |
| 74 | L | 87.3 | Confident | 85.3 | Confident | 12 Ų | 12 | 67.2 Ų | 67.2 | 6% | 0.063 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 128.3 | 170 | -66.6 | 173.2 | 0 | 0 | 0 | 109.6 | I71 E72 L82 Y91 E166 C167 L169 | I71-L74 HydrophobicContact CG2-CD1 4.07Å; I71-L74 HydrophobicContact CG2-CD2 3.68Å; I71-L74 HydrophobicContact CG2-CG 3.92Å; E72-L74 VanDerWaalsContact C-N 3.34Å; E72-L74 PolarHBondContact O-N 3.5Å; L74-L82 HydrophobicContact CD1-CD1 4.45Å; L74-Y91 HydrophobicContact CD1-CE1 4.05Å; L74-Y91 WeakPolarHBondContact CD2-OH 3.22Å; L74-E166 WeakPolarHBondContact O-CA 3.28Å; L74-C167 HydrophobicContact CB-CB 4.5Å; L74-C167 VanDerWaalsContact CB-O 3.31Å; L74-C167 WeakPolarHBondContact CB-O 3.42Å; L74-C167 PolarHBondContact N-O 3.11Å; L74-C167 PolarHBondContact O-N 3.01Å; L74-L169 HydrophobicContact CD1-CD1 3.92Å; L74-L169 HydrophobicContact CD1-CG 3.83Å |
| 75 | K | 81.8 | Confident | 85.1 | Confident | 146 Ų | 146 | 63.8 Ų | 63.8 | 64% | 0.635 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 147.8 | 178.2 | -68.6 | -178.7 | 179.6 | 176.9 | 0 | 110.9 | K73 S77 E78 S79 | K73-K75 PolarHBondContact O-N 2.92Å; K75-S77 PolarHBondContact O-N 3.23Å; K75-E78 PolarHBondContact O-N 3.43Å; K75-S79 PolarHBondContact O-N 3.15Å; K75-S79 VanDerWaalsContact O-N 3.09Å |
| 76 | Y | 70.3 | Confident | 85 | Confident | 122 Ų | 122 | 70 Ų | 70 | 48% | 0.478 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -46.9 | -35.9 | 176.7 | -170.7 | -103 | 0 | 0 | 0 | 114.9 | E78 S79 K80 E165 | Y76-E78 VanDerWaalsContact C-N 3.32Å; Y76-E78 PolarHBondContact O-N 2.93Å; Y76-S79 WeakPolarHBondContact CA-OG 3.14Å; Y76-S79 PolarHBondContact O-N 3.02Å; Y76-S79 PolarHBondContact O-OG 3.43Å; Y76-K80 HydrophobicContact CD1-CD 4.43Å; Y76-K80 HydrophobicContact CE1-CD 3.76Å; Y76-K80 VanDerWaalsContact CE1-CE 3.42Å; Y76-K80 HydrophobicContact CE1-CG 4.02Å; Y76-K80 PolarHBondContact O-N 2.89Å; Y76-K80 VanDerWaalsContact OH-CE 3.26Å; Y76-K80 WeakPolarHBondContact OH-CE 3.45Å; Y76-E165 WeakPolarHBondContact CB-O 3.34Å; Y76-E165 PolarHBondContact N-O 3.18Å |
| 77 | S | 67.1 | Low | 84.8 | Confident | 77 Ų | 77 | 72.2 Ų | 72.2 | 54% | 0.538 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.9 | -35.8 | 178.8 | 53.4 | 0 | 0 | 0 | 0 | 113.3 | K75 N81 | K75-S77 PolarHBondContact O-N 3.23Å; S77-N81 PolarHBondContact O-ND2 3.26Å |
| 78 | E | 70.3 | Confident | 84.6 | Confident | 83 Ų | 83 | 69.6 Ų | 69.6 | 39% | 0.388 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -82.5 | -34.3 | 177.3 | -65.3 | 178.3 | -162.3 | 0 | 0 | 110.5 | K75 Y76 K80 N81 Y91 | K75-E78 PolarHBondContact O-N 3.43Å; Y76-E78 VanDerWaalsContact C-N 3.32Å; Y76-E78 PolarHBondContact O-N 2.93Å; E78-K80 VanDerWaalsContact C-N 3.33Å; E78-K80 PolarHBondContact O-N 2.95Å; E78-N81 PolarHBondContact O-N 2.83Å; E78-Y91 PolarHBondContact OE2-OH 2.77Å |
| 79 | S | 68.1 | Low | 84.5 | Confident | 7 Ų | 7 | 70.7 Ų | 70.7 | 5% | 0.049 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -69.5 | -28.1 | 179.9 | 78.1 | 0 | 0 | 0 | 0 | 114.1 | K75 Y76 N81 L82 K158 C167 | K75-S79 PolarHBondContact O-N 3.15Å; K75-S79 VanDerWaalsContact O-N 3.09Å; Y76-S79 WeakPolarHBondContact CA-OG 3.14Å; Y76-S79 PolarHBondContact O-N 3.02Å; Y76-S79 PolarHBondContact O-OG 3.43Å; S79-N81 VanDerWaalsContact C-N 3.29Å; S79-N81 PolarHBondContact O-N 3.36Å; S79-L82 WeakPolarHBondContact O-CB 3.27Å; S79-L82 PolarHBondContact O-N 3.49Å; S79-L82 VanDerWaalsContact O-N 3.13Å; S79-K158 PolarHBondContact O-NZ 2.9Å; S79-K158 VanDerWaalsContact O-NZ 3.15Å; S79-C167 WeakPolarHBondContact CB-SG 3.48Å |
| 80 | K | 68.2 | Low | 84.5 | Confident | 125 Ų | 125 | 75 Ų | 75 | 54% | 0.543 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -34.5 | 172 | -102.3 | -171.1 | 170.8 | 178.1 | 0 | 113 | Y76 E78 L82 | Y76-K80 HydrophobicContact CD1-CD 4.43Å; Y76-K80 HydrophobicContact CE1-CD 3.76Å; Y76-K80 VanDerWaalsContact CE1-CE 3.42Å; Y76-K80 HydrophobicContact CE1-CG 4.02Å; Y76-K80 PolarHBondContact O-N 2.89Å; Y76-K80 VanDerWaalsContact OH-CE 3.26Å; Y76-K80 WeakPolarHBondContact OH-CE 3.45Å; E78-K80 VanDerWaalsContact C-N 3.33Å; E78-K80 PolarHBondContact O-N 2.95Å; K80-L82 PolarHBondContact O-N 3.45Å |
| 81 | N | 72.8 | Confident | 84.4 | Confident | 121 Ų | 121 | 76.2 Ų | 76.2 | 65% | 0.647 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -8.3 | 177.3 | -62.5 | -38.6 | 0 | 0 | 0 | 112.3 | S77 E78 S79 D87 | S77-N81 PolarHBondContact O-ND2 3.26Å; E78-N81 PolarHBondContact O-N 2.83Å; S79-N81 VanDerWaalsContact C-N 3.29Å; S79-N81 PolarHBondContact O-N 3.36Å; N81-D87 VanDerWaalsContact O-CB 3.31Å; N81-D87 WeakPolarHBondContact O-CB 3.27Å |
| 82 | L | 79.8 | Confident | 84.4 | Confident | 7 Ų | 7 | 75.3 Ų | 75.3 | 4% | 0.037 | 37% | 0.372 | C | S | . | . | trans | -102.2 | 45.4 | 178.9 | -55.3 | 176.8 | 0 | 0 | 0 | 111.3 | L74 S79 K80 D87 Y91 K158 L169 | L74-L82 HydrophobicContact CD1-CD1 4.45Å; S79-L82 WeakPolarHBondContact O-CB 3.27Å; S79-L82 PolarHBondContact O-N 3.49Å; S79-L82 VanDerWaalsContact O-N 3.13Å; K80-L82 PolarHBondContact O-N 3.45Å; L82-D87 HydrophobicContact CD2-CB 4.35Å; L82-Y91 HydrophobicContact CD1-CD2 4.47Å; L82-Y91 HydrophobicContact CD1-CG 4.33Å; L82-Y91 HydrophobicContact CD2-CD2 3.87Å; L82-Y91 HydrophobicContact CD2-CG 3.79Å; L82-K158 PolarHBondContact O-NZ 3.34Å; L82-L169 HydrophobicContact CD1-CD1 4.15Å; L82-L169 HydrophobicContact CD1-CD2 4.42Å | ||
| 83 | E | 80 | Confident | 84.5 | Confident | 161 Ų | 161 | 72.5 Ų | 72.5 | 75% | 0.752 | 36% | 0.36 | S | S | * | . | trans | -78.3 | -38.6 | -178.5 | -164.3 | 166.9 | -168.1 | 0 | 0 | 111.1 | R140 | E83-R140 PolarHBondContact O-NH2 2.87Š| ||
| 84 | G | 89.7 | Confident | 84.9 | Confident | 17 Ų | 17 | 68.3 Ų | 68.3 | 18% | 0.175 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -90.6 | 158.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L86 D87 L88 | G84-L86 VanDerWaalsContact C-N 3.31Å; G84-D87 WeakPolarHBondContact CA-OD2 3.49Å; G84-D87 PolarHBondContact N-OD2 2.96Å; G84-D87 PolarHBondContact O-N 3.44Å; G84-L88 PolarHBondContact O-N 2.92Å |
| 85 | P | 94.1 | Very high | 85.2 | Confident | 55 Ų | 55 | 67.9 Ų | 67.9 | 36% | 0.357 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.1 | -33.1 | 172 | 27.6 | -33.4 | 0 | 0 | 0 | 112.5 | L88 I89 V142 | P85-L88 PolarHBondContact O-N 2.81Å; P85-I89 WeakPolarHBondContact O-CG1 3.41Å; P85-I89 PolarHBondContact O-N 2.89Å; P85-I89 VanDerWaalsContact O-N 3.15Å; P85-V142 HydrophobicContact CB-CG1 4.33Å; P85-V142 HydrophobicContact CB-CG2 3.83Å |
| 86 | L | 94.3 | Very high | 85.9 | Confident | 131 Ų | 131 | 61.4 Ų | 61.4 | 69% | 0.686 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -70.2 | -37.5 | 178 | -63 | 179.3 | 0 | 0 | 0 | 111.8 | G84 L88 I89 N90 | G84-L86 VanDerWaalsContact C-N 3.31Å; L86-L88 VanDerWaalsContact C-N 3.31Å; L86-L88 PolarHBondContact O-N 2.79Å; L86-I89 PolarHBondContact O-N 3.38Å; L86-N90 WeakPolarHBondContact O-CB 3.36Å; L86-N90 PolarHBondContact O-N 3.38Å |
| 87 | D | 93.3 | Very high | 87.1 | Confident | 75 Ų | 75 | 62.3 Ų | 62.3 | 40% | 0.401 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.9 | -39.5 | 176.9 | -51.9 | -46.7 | 0 | 0 | 0 | 110.9 | N81 L82 G84 N90 Y91 | N81-D87 VanDerWaalsContact O-CB 3.31Å; N81-D87 WeakPolarHBondContact O-CB 3.27Å; L82-D87 HydrophobicContact CD2-CB 4.35Å; G84-D87 WeakPolarHBondContact CA-OD2 3.49Å; G84-D87 PolarHBondContact N-OD2 2.96Å; G84-D87 PolarHBondContact O-N 3.44Å; D87-N90 PolarHBondContact O-N 2.93Å; D87-Y91 VanDerWaalsContact O-CB 3.32Å; D87-Y91 WeakPolarHBondContact O-CB 3.44Å; D87-Y91 PolarHBondContact O-N 2.88Å |
| 88 | L | 94 | Very high | 88.5 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 175 | 178.5 | 60.1 | 0 | 0 | 0 | 112 | G84 P85 L86 Y91 I92 V142 A156 K158 L169 | G84-L88 PolarHBondContact O-N 2.92Å; P85-L88 PolarHBondContact O-N 2.81Å; L86-L88 VanDerWaalsContact C-N 3.31Å; L86-L88 PolarHBondContact O-N 2.79Å; L88-Y91 PolarHBondContact O-N 2.78Å; L88-I92 HydrophobicContact CD1-CD1 4.11Å; L88-I92 HydrophobicContact CG-CD1 4.24Å; L88-I92 WeakPolarHBondContact O-CG1 3.37Å; L88-I92 PolarHBondContact O-N 3.33Å; L88-I92 VanDerWaalsContact O-N 3.15Å; L88-V142 HydrophobicContact CD2-CB 4.4Å; L88-V142 HydrophobicContact CD2-CG2 3.91Å; L88-A156 HydrophobicContact CD2-CB 3.97Å; L88-A156 HydrophobicContact CG-CB 4.21Å; L88-K158 HydrophobicContact CD2-CB 4.36Å; L88-L169 HydrophobicContact CD1-CD1 3.76Å; L88-L169 HydrophobicContact CD1-CD2 3.48Å; L88-L169 VanDerWaalsContact CD1-CD2 3.48Å; L88-L169 HydrophobicContact CD1-CG 4.19Å |
| 89 | I | 95.9 | Very high | 89.6 | Confident | 32 Ų | 32 | 62.2 Ų | 62.2 | 16% | 0.164 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.7 | -52.9 | 176.7 | -67.4 | 165.1 | 0 | 0 | 0 | 109.6 | P85 L86 Y91 I92 D93 V142 Y144 | P85-I89 WeakPolarHBondContact O-CG1 3.41Å; P85-I89 PolarHBondContact O-N 2.89Å; P85-I89 VanDerWaalsContact O-N 3.15Å; L86-I89 PolarHBondContact O-N 3.38Å; I89-Y91 VanDerWaalsContact C-N 3.26Å; I89-Y91 PolarHBondContact O-N 3.43Å; I89-I92 PolarHBondContact O-N 3.15Å; I89-D93 PolarHBondContact O-N 3.48Å; I89-V142 HydrophobicContact CD1-CG1 3.93Å; I89-V142 HydrophobicContact CG1-CG1 4.16Å; I89-Y144 HydrophobicContact CD1-CD1 4.31Å; I89-Y144 HydrophobicContact CD1-CD2 4.38Å; I89-Y144 HydrophobicContact CD1-CG 3.93Å; I89-Y144 HydrophobicContact CG1-CD1 3.87Å; I89-Y144 HydrophobicContact CG1-CD2 4.12Å; I89-Y144 HydrophobicContact CG1-CE1 4.21Å; I89-Y144 HydrophobicContact CG1-CE2 4.44Å; I89-Y144 HydrophobicContact CG1-CG 3.83Å; I89-Y144 HydrophobicContact CG2-CD2 3.81Å; I89-Y144 HydrophobicContact CG2-CE2 3.85Å; I89-Y144 HydrophobicContact CG2-CG 4.39Å |
| 90 | N | 94.7 | Very high | 90.9 | Very high | 100 Ų | 100 | 68 Ų | 68 | 54% | 0.535 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.6 | -36.6 | -179.1 | -179.2 | 74.4 | 0 | 0 | 0 | 112.5 | L86 D87 D93 V94 | L86-N90 WeakPolarHBondContact O-CB 3.36Å; L86-N90 PolarHBondContact O-N 3.38Å; D87-N90 PolarHBondContact O-N 2.93Å; N90-D93 PolarHBondContact O-N 2.86Å; N90-V94 VanDerWaalsContact O-CG2 3.32Å; N90-V94 WeakPolarHBondContact O-CG2 3.5Å; N90-V94 PolarHBondContact O-N 3.49Å |
| 91 | Y | 94.7 | Very high | 92.2 | Very high | 53 Ų | 53 | 62.3 Ų | 62.3 | 21% | 0.208 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.5 | -40.2 | 175.8 | -171.2 | -85 | 0 | 0 | 0 | 112.2 | I71 L74 E78 L82 D87 L88 I89 A95 L169 | I71-Y91 HydrophobicContact CD1-CD1 4.38Å; I71-Y91 HydrophobicContact CD1-CE1 3.89Å; L74-Y91 HydrophobicContact CD1-CE1 4.05Å; L74-Y91 WeakPolarHBondContact CD2-OH 3.22Å; E78-Y91 PolarHBondContact OE2-OH 2.77Å; L82-Y91 HydrophobicContact CD1-CD2 4.47Å; L82-Y91 HydrophobicContact CD1-CG 4.33Å; L82-Y91 HydrophobicContact CD2-CD2 3.87Å; L82-Y91 HydrophobicContact CD2-CG 3.79Å; D87-Y91 VanDerWaalsContact O-CB 3.32Å; D87-Y91 WeakPolarHBondContact O-CB 3.44Å; D87-Y91 PolarHBondContact O-N 2.88Å; L88-Y91 PolarHBondContact O-N 2.78Å; I89-Y91 VanDerWaalsContact C-N 3.26Å; I89-Y91 PolarHBondContact O-N 3.43Å; Y91-A95 WeakPolarHBondContact O-CB 3.14Å; Y91-A95 PolarHBondContact O-N 3.13Å; Y91-L169 HydrophobicContact CD1-CD1 3.55Å; Y91-L169 HydrophobicContact CE1-CD1 3.87Å |
| 92 | I | 95.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.7 | -42.5 | 176.1 | -67.5 | 164.3 | 0 | 0 | 0 | 110.3 | L88 I89 V94 A95 Q96 L101 Y144 A156 L169 V171 | L88-I92 HydrophobicContact CD1-CD1 4.11Å; L88-I92 HydrophobicContact CG-CD1 4.24Å; L88-I92 WeakPolarHBondContact O-CG1 3.37Å; L88-I92 PolarHBondContact O-N 3.33Å; L88-I92 VanDerWaalsContact O-N 3.15Å; I89-I92 PolarHBondContact O-N 3.15Å; I92-V94 VanDerWaalsContact C-N 3.35Å; I92-V94 PolarHBondContact O-N 3.29Å; I92-A95 CarbonylContact O-C 3.58Å; I92-A95 WeakPolarHBondContact O-CB 3.11Å; I92-A95 PolarHBondContact O-N 3.23Å; I92-A95 VanDerWaalsContact O-N 3.11Å; I92-Q96 HydrophobicContact CG2-CG 4.46Å; I92-Q96 WeakPolarHBondContact O-CG 3.16Å; I92-Q96 PolarHBondContact O-N 3.47Å; I92-L101 HydrophobicContact CG2-CD1 4.13Å; I92-Y144 WeakPolarHBondContact CG2-OH 3.48Å; I92-A156 HydrophobicContact CD1-CB 3.33Å; I92-L169 HydrophobicContact CG1-CD1 4.46Å; I92-V171 HydrophobicContact CD1-CG2 3.79Å; I92-V171 HydrophobicContact CG1-CG2 4.16Å; I92-V171 HydrophobicContact CG2-CG2 4.11Å |
| 93 | D | 95 | Very high | 94 | Very high | 51 Ų | 51 | 63.3 Ų | 63.3 | 27% | 0.273 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.7 | -46.6 | 177.2 | -64.7 | -17.3 | 0 | 0 | 0 | 111.3 | I89 N90 A95 Q96 Q97 | I89-D93 PolarHBondContact O-N 3.48Å; N90-D93 PolarHBondContact O-N 2.86Å; D93-A95 VanDerWaalsContact C-N 3.34Å; D93-A95 PolarHBondContact O-N 3.31Å; D93-Q96 PolarHBondContact O-N 3.03Å; D93-Q97 VanDerWaalsContact O-CG 3.3Å; D93-Q97 WeakPolarHBondContact O-CG 3.4Å; D93-Q97 PolarHBondContact O-N 3.43Å |
| 94 | V | 95.3 | Very high | 94.6 | Very high | 58 Ų | 58 | 60.5 Ų | 60.5 | 35% | 0.352 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 175.2 | 173 | 0 | 0 | 0 | 0 | 110.8 | N90 I92 Q96 Q97 D98 | N90-V94 VanDerWaalsContact O-CG2 3.32Å; N90-V94 WeakPolarHBondContact O-CG2 3.5Å; N90-V94 PolarHBondContact O-N 3.49Å; I92-V94 VanDerWaalsContact C-N 3.35Å; I92-V94 PolarHBondContact O-N 3.29Å; V94-Q96 VanDerWaalsContact C-N 3.29Å; V94-Q96 PolarHBondContact O-N 3.49Å; V94-Q97 PolarHBondContact O-N 3.01Å; V94-D98 WeakPolarHBondContact O-CB 3.32Å; V94-D98 PolarHBondContact O-N 3.14Å |
| 95 | A | 95.5 | Very high | 94.9 | Very high | 3 Ų | 3 | 60 Ų | 60 | 3% | 0.025 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.8 | -32.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | I71 Y91 I92 D93 G99 K100 L101 | I71-A95 HydrophobicContact CD1-CB 3.46Å; I71-A95 VanDerWaalsContact CD1-CB 3.46Å; Y91-A95 WeakPolarHBondContact O-CB 3.14Å; Y91-A95 PolarHBondContact O-N 3.13Å; I92-A95 CarbonylContact O-C 3.58Å; I92-A95 WeakPolarHBondContact O-CB 3.11Å; I92-A95 PolarHBondContact O-N 3.23Å; I92-A95 VanDerWaalsContact O-N 3.11Å; D93-A95 VanDerWaalsContact C-N 3.34Å; D93-A95 PolarHBondContact O-N 3.31Å; A95-G99 PolarHBondContact O-N 3.18Å; A95-K100 HydrophobicContact CB-CB 4.29Å; A95-K100 HydrophobicContact CB-CD 4.49Å; A95-K100 WeakPolarHBondContact O-CB 3.35Å; A95-K100 PolarHBondContact O-N 3.45Å; A95-L101 HydrophobicContact CB-CD1 4.36Å; A95-L101 PolarHBondContact O-N 2.85Å |
| 96 | Q | 95.8 | Very high | 94.9 | Very high | 11 Ų | 11 | 59.7 Ų | 59.7 | 5% | 0.051 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -71.2 | -41.2 | 172.6 | -70.9 | 178.9 | -42.2 | 0 | 0 | 111.8 | I92 D93 V94 D98 G99 L101 P102 F103 | I92-Q96 HydrophobicContact CG2-CG 4.46Å; I92-Q96 WeakPolarHBondContact O-CG 3.16Å; I92-Q96 PolarHBondContact O-N 3.47Å; D93-Q96 PolarHBondContact O-N 3.03Å; V94-Q96 VanDerWaalsContact C-N 3.29Å; V94-Q96 PolarHBondContact O-N 3.49Å; Q96-D98 VanDerWaalsContact C-N 3.32Å; Q96-D98 PolarHBondContact O-N 2.9Å; Q96-G99 PolarHBondContact O-N 3.14Å; Q96-L101 WeakPolarHBondContact CA-O 3.32Å; Q96-L101 HydrophobicContact CG-CB 3.79Å; Q96-P102 PolarHBondContact NE2-O 3.48Å; Q96-F103 HydrophobicContact CB-CD1 3.91Å; Q96-F103 HydrophobicContact CB-CD2 4.41Å; Q96-F103 HydrophobicContact CB-CE1 3.56Å; Q96-F103 HydrophobicContact CB-CE2 4.09Å; Q96-F103 HydrophobicContact CB-CG 4.33Å; Q96-F103 HydrophobicContact CB-CZ 3.67Å; Q96-F103 HydrophobicContact CG-CD1 4.45Å; Q96-F103 VanDerWaalsContact O-CE2 3.31Å; Q96-F103 WeakPolarHBondContact O-CE2 3.33Å |
| 97 | Q | 95.6 | Very high | 94.8 | Very high | 140 Ų | 140 | 60.8 Ų | 60.8 | 65% | 0.654 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -62.7 | -38.3 | 174.4 | -69.3 | 171.1 | 27.1 | 0 | 0 | 112.4 | D93 V94 G99 F103 | D93-Q97 VanDerWaalsContact O-CG 3.3Å; D93-Q97 WeakPolarHBondContact O-CG 3.4Å; D93-Q97 PolarHBondContact O-N 3.43Å; V94-Q97 PolarHBondContact O-N 3.01Å; Q97-G99 PolarHBondContact O-N 3.26Å; Q97-F103 HydrophobicContact CG-CZ 4.19Å |
| 98 | D | 95.9 | Very high | 94.9 | Very high | 96 Ų | 96 | 62.7 Ų | 62.7 | 51% | 0.513 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -9.8 | 174.4 | -76.1 | -7.4 | 0 | 0 | 0 | 113.2 | V94 Q96 K100 | V94-D98 WeakPolarHBondContact O-CB 3.32Å; V94-D98 PolarHBondContact O-N 3.14Å; Q96-D98 VanDerWaalsContact C-N 3.32Å; Q96-D98 PolarHBondContact O-N 2.9Å; D98-K100 VanDerWaalsContact C-N 3.3Å; D98-K100 HydrophobicContact CB-CD 4.26Å; D98-K100 HydrophobicContact CB-CG 4.14Å; D98-K100 PolarHBondContact O-N 2.53Å; D98-K100 IonicContact OD2-NZ 3.89Å; D98-K100 PolarHBondContact OD2-NZ 3.36Å |
| 99 | G | 94.1 | Very high | 95 | Very high | 63 Ų | 63 | 65.5 Ų | 65.5 | 65% | 0.649 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | 15.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | A95 Q96 Q97 | A95-G99 PolarHBondContact O-N 3.18Å; Q96-G99 PolarHBondContact O-N 3.14Å; Q97-G99 PolarHBondContact O-N 3.26Å |
| 100 | K | 95.1 | Very high | 95 | Very high | 128 Ų | 128 | 64.8 Ų | 64.8 | 56% | 0.557 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -74.8 | -29.2 | 173.4 | -63.6 | 171.3 | -176.5 | 145.4 | 0 | 111.9 | A95 D98 | A95-K100 HydrophobicContact CB-CB 4.29Å; A95-K100 HydrophobicContact CB-CD 4.49Å; A95-K100 WeakPolarHBondContact O-CB 3.35Å; A95-K100 PolarHBondContact O-N 3.45Å; D98-K100 VanDerWaalsContact C-N 3.3Å; D98-K100 HydrophobicContact CB-CD 4.26Å; D98-K100 HydrophobicContact CB-CG 4.14Å; D98-K100 PolarHBondContact O-N 2.53Å; D98-K100 IonicContact OD2-NZ 3.89Å; D98-K100 PolarHBondContact OD2-NZ 3.36Å |
| 101 | L | 96.1 | Very high | 95.2 | Very high | 6 Ų | 6 | 60.5 Ų | 60.5 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -125.6 | 144.8 | 172.4 | -71.4 | 175.7 | 0 | 0 | 0 | 109.7 | I71 I92 A95 Q96 V171 | I71-L101 HydrophobicContact CD1-CD1 3.75Å; I71-L101 HydrophobicContact CD1-CG 4.11Å; I71-L101 HydrophobicContact CG1-CD1 3.97Å; I71-L101 HydrophobicContact CG1-CD2 4.27Å; I71-L101 HydrophobicContact CG1-CG 4.02Å; I92-L101 HydrophobicContact CG2-CD1 4.13Å; A95-L101 HydrophobicContact CB-CD1 4.36Å; A95-L101 PolarHBondContact O-N 2.85Å; Q96-L101 WeakPolarHBondContact CA-O 3.32Å; Q96-L101 HydrophobicContact CG-CB 3.79Å; L101-V171 HydrophobicContact CD1-CG2 4.03Å |
| 102 | P | 96.2 | Very high | 95.3 | Very high | 61 Ų | 61 | 58 Ų | 58 | 40% | 0.396 | 32% | 0.32 | S | S | . | . | trans | -73 | 150.9 | 171.9 | 31.5 | -33.9 | 0 | 0 | 0 | 110.9 | V68 Q96 | V68-P102 HydrophobicContact CG1-CG 4.07Å; V68-P102 VanDerWaalsContact CG1-O 3.27Å; V68-P102 WeakPolarHBondContact CG1-O 3.4Å; V68-P102 VanDerWaalsContact O-CD 3.28Å; V68-P102 WeakPolarHBondContact O-CD 3.31Å; V68-P102 WeakPolarHBondContact O-CG 3.33Å; Q96-P102 PolarHBondContact NE2-O 3.48Å | ||
| 103 | F | 93 | Very high | 95.4 | Very high | 88 Ų | 88 | 58.3 Ų | 58.3 | 39% | 0.386 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -71.9 | -33.7 | 170.5 | -75.3 | -79.7 | 0 | 0 | 0 | 112.4 | Q96 Q97 L148 | Q96-F103 HydrophobicContact CB-CD1 3.91Å; Q96-F103 HydrophobicContact CB-CD2 4.41Å; Q96-F103 HydrophobicContact CB-CE1 3.56Å; Q96-F103 HydrophobicContact CB-CE2 4.09Å; Q96-F103 HydrophobicContact CB-CG 4.33Å; Q96-F103 HydrophobicContact CB-CZ 3.67Å; Q96-F103 HydrophobicContact CG-CD1 4.45Å; Q96-F103 VanDerWaalsContact O-CE2 3.31Å; Q96-F103 WeakPolarHBondContact O-CE2 3.33Å; Q97-F103 HydrophobicContact CG-CZ 4.19Å; F103-L148 HydrophobicContact CB-CD1 4.11Å; F103-L148 HydrophobicContact CD1-CD1 4.23Å; F103-L148 HydrophobicContact CD1-CD2 4.25Å |
| 104 | V | 93.4 | Very high | 95.5 | Very high | 101 Ų | 101 | 55.9 Ų | 55.9 | 61% | 0.612 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -121.1 | 125 | -177.7 | -176.1 | 0 | 0 | 0 | 0 | 108.2 | ||
| 105 | P | 95.1 | Very high | 95.5 | Very high | 7 Ų | 7 | 54.1 Ų | 54.1 | 5% | 0.045 | 30% | 0.3 | C | S | . | . | trans | -67.3 | 167.1 | 176.8 | 29.3 | -35 | 0 | 0 | 0 | 111.6 | K66 Y67 V68 Q173 | K66-P105 HydrophobicContact CB-CB 3.98Å; K66-P105 HydrophobicContact CB-CG 3.86Å; K66-P105 HydrophobicContact CD-CG 4.16Å; Y67-P105 VanDerWaalsContact O-CB 3.27Å; Y67-P105 WeakPolarHBondContact O-CB 3.44Å; V68-P105 HydrophobicContact CB-CB 4.48Å; V68-P105 HydrophobicContact CG2-CB 3.92Å; V68-P105 HydrophobicContact CG2-CG 4.18Å; P105-Q173 HydrophobicContact CG-CB 3.96Å; P105-Q173 HydrophobicContact CG-CG 4.44Å; P105-Q173 VanDerWaalsContact CG-OE1 3.31Å | ||
| 106 | G | 93.5 | Very high | 95.4 | Very high | 49 Ų | 49 | 57.5 Ų | 57.5 | 51% | 0.505 | 31% | 0.314 | S | S | . | . | trans | -61.9 | 168.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113 | K66 E108 | K66-G106 WeakPolarHBondContact CD-O 3.32Å; G106-E108 VanDerWaalsContact C-N 3.26Å; G106-E108 PolarHBondContact O-N 2.89Å | ||
| 107 | E | 93.3 | Very high | 95.3 | Very high | 153 Ų | 153 | 65 Ų | 65 | 72% | 0.715 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -75.6 | -15 | 178.4 | -68.1 | -55.5 | 146.5 | 0 | 0 | 113.9 | K66 | K66-E107 IonicContact NZ-OE1 2.84Å; K66-E107 IonicContact NZ-OE2 3.38Å; K66-E107 PolarHBondContact NZ-OE2 3.42Å |
| 108 | E | 94.4 | Very high | 95.3 | Very high | 116 Ų | 116 | 58.5 Ų | 58.5 | 54% | 0.542 | 31% | 0.314 | S | S | . | . | trans | -67.2 | 131.5 | -179.2 | -169 | 175.5 | -177 | 0 | 0 | 112.1 | G106 F110 | G106-E108 VanDerWaalsContact C-N 3.26Å; G106-E108 PolarHBondContact O-N 2.89Å; E108-F110 HydrophobicContact CB-CE2 4.2Å; E108-F110 HydrophobicContact CB-CZ 4.25Å; E108-F110 VanDerWaalsContact CD-CZ 3.48Å; E108-F110 HydrophobicContact CG-CE1 4.27Å; E108-F110 HydrophobicContact CG-CE2 4.07Å; E108-F110 HydrophobicContact CG-CZ 3.77Å | ||
| 109 | E | 96.1 | Very high | 95.4 | Very high | 59 Ų | 59 | 54.2 Ų | 54.2 | 28% | 0.276 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 141.3 | 174.3 | -65.7 | -167.9 | 151.5 | 0 | 0 | 111.5 | R64 K66 | R64-E109 IonicContact NH1-OE2 2.7Å; R64-E109 PolarHBondContact NH1-OE2 2.83Å; K66-E109 HydrophobicContact CG-CG 4.42Å |
| 110 | F | 97.3 | Very high | 95.6 | Very high | 17 Ų | 17 | 55 Ų | 55 | 8% | 0.075 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 153.6 | 176.7 | -60.7 | -81.4 | 0 | 0 | 0 | 110.5 | R64 V65 E108 V121 S122 T123 L130 | R64-F110 WeakPolarHBondContact CA-O 3.36Å; V65-F110 PolarHBondContact N-O 2.97Å; V65-F110 PolarHBondContact O-N 3.28Å; E108-F110 HydrophobicContact CB-CE2 4.2Å; E108-F110 HydrophobicContact CB-CZ 4.25Å; E108-F110 VanDerWaalsContact CD-CZ 3.48Å; E108-F110 HydrophobicContact CG-CE1 4.27Å; E108-F110 HydrophobicContact CG-CE2 4.07Å; E108-F110 HydrophobicContact CG-CZ 3.77Å; F110-V121 HydrophobicContact CB-CG1 3.79Å; F110-V121 HydrophobicContact CG-CG1 4.36Å; F110-S122 CarbonylContact C-O 3.54Å; F110-S122 WeakPolarHBondContact CA-O 3.38Å; F110-S122 WeakPolarHBondContact CB-O 3.47Å; F110-T123 HydrophobicContact CE1-CG2 4.49Å; F110-L130 HydrophobicContact CD1-CD1 3.85Å; F110-L130 HydrophobicContact CD1-CD2 3.69Å; F110-L130 HydrophobicContact CD1-CG 4.44Å; F110-L130 HydrophobicContact CE1-CD1 3.86Å; F110-L130 HydrophobicContact CE1-CD2 3.36Å; F110-L130 HydrophobicContact CE1-CG 4.27Å; F110-L130 HydrophobicContact CZ-CD2 3.92Å |
| 111 | I | 97.5 | Very high | 95.7 | Very high | 11 Ų | 11 | 48.9 Ų | 48.9 | 6% | 0.056 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 114.3 | 173.3 | -64.4 | 170.3 | 0 | 0 | 0 | 108.2 | E62 V121 S122 S124 Q126 | E62-I111 HydrophobicContact CB-CG2 4.14Å; E62-I111 HydrophobicContact CG-CG2 4.35Å; I111-V121 WeakPolarHBondContact O-CA 3.42Å; I111-S122 PolarHBondContact N-O 3.04Å; I111-S122 PolarHBondContact O-N 3Å; I111-S124 WeakPolarHBondContact CD1-O 3.46Å; I111-Q126 HydrophobicContact CD1-CG 3.64Å |
| 112 | M | 97.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 106.7 | 171.9 | 179.6 | 179.8 | -78.1 | 0 | 0 | 109.6 | E62 F63 V65 V114 I119 K120 V121 Y172 I183 | E62-M112 CarbonylContact C-O 3.59Å; E62-M112 WeakPolarHBondContact CA-O 3.38Å; F63-M112 PolarHBondContact N-O 2.92Å; F63-M112 PolarHBondContact O-N 3.43Å; V65-M112 HydrophobicContact CG1-CB 4.3Å; V65-M112 HydrophobicContact CG1-SD 4.5Å; V65-M112 HydrophobicContact CG2-CB 3.76Å; V65-M112 HydrophobicContact CG2-CE 4.14Å; M112-V114 HydrophobicContact CG-CG2 4.31Å; M112-I119 HydrophobicContact CE-CG2 4.21Å; M112-I119 HydrophobicContact CG-CG2 3.6Å; M112-I119 HydrophobicContact SD-CG2 4.07Å; M112-K120 CarbonylContact C-O 3.51Å; M112-K120 WeakPolarHBondContact CA-O 3.4Å; M112-V121 HydrophobicContact CE-CG2 4.15Å; M112-V121 HydrophobicContact CG-CG2 4.42Å; M112-Y172 HydrophobicContact CE-CD1 3.79Å; M112-Y172 HydrophobicContact CE-CD2 3.47Å; M112-Y172 VanDerWaalsContact CE-CD2 3.47Å; M112-Y172 HydrophobicContact CE-CE1 4.07Å; M112-Y172 HydrophobicContact CE-CE2 3.74Å; M112-Y172 HydrophobicContact CE-CG 3.49Å; M112-Y172 VanDerWaalsContact CE-CG 3.49Å; M112-I183 HydrophobicContact SD-CD1 4.26Å; M112-I183 HydrophobicContact SD-CG2 4.1Å |
| 113 | G | 96.7 | Very high | 95.7 | Very high | 5 Ų | 5 | 46.7 Ų | 46.7 | 5% | 0.052 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 124.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A61 I119 K120 | A61-G113 CarbonylContact O-C 3.58Å; A61-G113 WeakPolarHBondContact O-CA 3.33Å; G113-I119 CarbonylContact O-C 3.58Å; G113-I119 WeakPolarHBondContact O-CA 3.37Å; G113-K120 PolarHBondContact N-O 2.9Å; G113-K120 PolarHBondContact O-N 2.77Å |
| 114 | V | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 129.5 | 175.6 | -170.3 | 0 | 0 | 0 | 0 | 108.9 | C60 A61 F63 M112 I119 I183 V186 L187 | C60-V114 WeakPolarHBondContact CA-O 3.31Å; A61-V114 PolarHBondContact N-O 3.09Å; A61-V114 PolarHBondContact O-N 3.02Å; F63-V114 HydrophobicContact CD2-CG2 4.27Å; F63-V114 HydrophobicContact CE2-CG2 4.19Å; M112-V114 HydrophobicContact CG-CG2 4.31Å; V114-I119 HydrophobicContact CG1-CG1 4.43Å; V114-I119 HydrophobicContact CG2-CG1 4.43Å; V114-I183 HydrophobicContact CG2-CG2 4.09Å; V114-V186 HydrophobicContact CB-CB 4.49Å; V114-V186 HydrophobicContact CB-CG1 3.9Å; V114-V186 HydrophobicContact CG1-CB 4.26Å; V114-V186 HydrophobicContact CG1-CG1 3.76Å; V114-L187 HydrophobicContact CG1-CB 4.09Å; V114-L187 HydrophobicContact CG1-CD1 4.2Å |
| 115 | S | 95.1 | Very high | 95.6 | Very high | 22 Ų | 22 | 44.9 Ų | 44.9 | 15% | 0.154 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 179.6 | 179.7 | 69.9 | 0 | 0 | 0 | 0 | 111.7 | Y117 G118 | S115-Y117 PolarHBondContact O-N 3.03Å; S115-Y117 PolarHBondContact OG-N 2.87Å; S115-G118 PolarHBondContact N-O 2.94Å; S115-G118 PolarHBondContact O-N 2.89Å |
| 116 | K | 93.7 | Very high | 95.2 | Very high | 73 Ų | 73 | 49.9 Ų | 49.9 | 32% | 0.317 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -17.8 | 171.2 | 73.6 | -173 | -174.9 | -165 | 0 | 114.7 | D58 L135 | D58-K116 WeakPolarHBondContact OD1-CE 3.19Å; D58-K116 IonicContact OD1-NZ 2.69Å; D58-K116 PolarHBondContact OD1-NZ 2.86Å; K116-L135 WeakPolarHBondContact O-CD2 3.46Å |
| 117 | Y | 94.6 | Very high | 94.9 | Very high | 170 Ų | 170 | 56.6 Ų | 56.6 | 67% | 0.667 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -17 | 176.1 | -58.2 | -70.8 | 0 | 0 | 0 | 113 | S115 L135 | S115-Y117 PolarHBondContact O-N 3.03Å; S115-Y117 PolarHBondContact OG-N 2.87Å; Y117-L135 PolarHBondContact O-N 3.21Å |
| 118 | G | 95.8 | Very high | 95 | Very high | 3 Ų | 3 | 54.6 Ų | 54.6 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 124.2 | -149.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S115 H133 | S115-G118 PolarHBondContact N-O 2.94Å; S115-G118 PolarHBondContact O-N 2.89Å; G118-H133 CarbonylContact C-O 3.58Å; G118-H133 WeakPolarHBondContact CA-O 3.43Å |
| 119 | I | 97.9 | Very high | 95.1 | Very high | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 127.3 | -177.2 | -55.5 | 172.3 | 0 | 0 | 0 | 109.5 | M112 G113 V114 V121 H133 I138 M141 L157 L187 | M112-I119 HydrophobicContact CE-CG2 4.21Å; M112-I119 HydrophobicContact CG-CG2 3.6Å; M112-I119 HydrophobicContact SD-CG2 4.07Å; G113-I119 CarbonylContact O-C 3.58Å; G113-I119 WeakPolarHBondContact O-CA 3.37Å; V114-I119 HydrophobicContact CG1-CG1 4.43Å; V114-I119 HydrophobicContact CG2-CG1 4.43Å; I119-V121 HydrophobicContact CG2-CG2 4.24Å; I119-H133 HydrophobicContact CB-CB 4.22Å; I119-H133 PolarHBondContact N-O 3.06Å; I119-H133 PolarHBondContact O-N 3.37Å; I119-I138 HydrophobicContact CD1-CD1 3.9Å; I119-I138 HydrophobicContact CG1-CD1 3.96Å; I119-M141 HydrophobicContact CD1-SD 4.07Å; I119-L157 HydrophobicContact CD1-CD1 3.96Å; I119-L157 HydrophobicContact CD1-CD2 4.04Å; I119-L187 HydrophobicContact CD1-CD1 4.36Å; I119-L187 HydrophobicContact CD1-CD2 4.25Å; I119-L187 HydrophobicContact CG1-CD1 4.28Å |
| 120 | K | 97.4 | Very high | 95 | Very high | 79 Ų | 79 | 51.6 Ų | 51.6 | 34% | 0.343 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 129.9 | 173.2 | -176.6 | -174.2 | 67.1 | 172.4 | 0 | 108.7 | M112 G113 V129 H131 R132 | M112-K120 CarbonylContact C-O 3.51Å; M112-K120 WeakPolarHBondContact CA-O 3.4Å; G113-K120 PolarHBondContact N-O 2.9Å; G113-K120 PolarHBondContact O-N 2.77Å; K120-V129 HydrophobicContact CD-CG1 4.39Å; K120-V129 HydrophobicContact CD-CG2 4.44Å; K120-V129 HydrophobicContact CG-CG1 3.86Å; K120-H131 WeakPolarHBondContact CA-O 3.49Å; K120-R132 HydrophobicContact CG-CG 4.38Å |
| 121 | V | 97.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 123 | 174.9 | -174 | 0 | 0 | 0 | 0 | 108.8 | F110 I111 M112 I119 L130 H131 Y172 | F110-V121 HydrophobicContact CB-CG1 3.79Å; F110-V121 HydrophobicContact CG-CG1 4.36Å; I111-V121 WeakPolarHBondContact O-CA 3.42Å; M112-V121 HydrophobicContact CE-CG2 4.15Å; M112-V121 HydrophobicContact CG-CG2 4.42Å; I119-V121 HydrophobicContact CG2-CG2 4.24Å; V121-L130 PolarHBondContact O-N 2.81Å; V121-H131 HydrophobicContact CB-CB 4.28Å; V121-H131 PolarHBondContact N-O 2.85Å; V121-H131 PolarHBondContact O-N 3.29Å; V121-H131 VanDerWaalsContact O-N 3.14Å; V121-Y172 HydrophobicContact CG1-CE1 4.33Å; V121-Y172 HydrophobicContact CG2-CE1 4Å |
| 122 | S | 97 | Very high | 94.9 | Very high | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 163.1 | 179.3 | 56.6 | 0 | 0 | 0 | 0 | 111.8 | F110 I111 D128 | F110-S122 CarbonylContact C-O 3.54Å; F110-S122 WeakPolarHBondContact CA-O 3.38Å; F110-S122 WeakPolarHBondContact CB-O 3.47Å; I111-S122 PolarHBondContact N-O 3.04Å; I111-S122 PolarHBondContact O-N 3Å; S122-D128 CarbonylContact C-O 3.55Å; S122-D128 WeakPolarHBondContact CA-O 3.38Å; S122-D128 WeakPolarHBondContact CB-O 3.38Å |
| 123 | T | 95.6 | Very high | 94.9 | Very high | 17 Ų | 17 | 61.1 Ų | 61.1 | 10% | 0.104 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 157.8 | 168.8 | 51.9 | 0 | 0 | 0 | 0 | 111.1 | F110 D125 Q126 D128 L130 | F110-T123 HydrophobicContact CE1-CG2 4.49Å; T123-D125 WeakPolarHBondContact CB-OD1 3.31Å; T123-D125 PolarHBondContact O-N 3.13Å; T123-D125 PolarHBondContact OG1-OD1 3.15Å; T123-Q126 WeakPolarHBondContact O-CA 3.4Å; T123-Q126 PolarHBondContact O-N 3.49Å; T123-D128 HydrophobicContact CG2-CB 3.87Å; T123-D128 PolarHBondContact N-O 3.35Å; T123-D128 PolarHBondContact OG1-N 3.23Å; T123-D128 VanDerWaalsContact OG1-N 3.14Å; T123-D128 PolarHBondContact OG1-O 3.43Å; T123-L130 HydrophobicContact CG2-CD1 3.75Å |
| 124 | S | 91.9 | Very high | 94.9 | Very high | 60 Ų | 60 | 62.3 Ų | 62.3 | 42% | 0.42 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -25.2 | -177.7 | 59.7 | 0 | 0 | 0 | 0 | 114.1 | I111 Q126 | I111-S124 WeakPolarHBondContact CD1-O 3.46Å; S124-Q126 VanDerWaalsContact C-N 3.3Å |
| 125 | D | 91.5 | Very high | 94.8 | Very high | 92 Ų | 92 | 63 Ų | 63 | 49% | 0.492 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -3.4 | 173.7 | 65 | 1.2 | 0 | 0 | 0 | 113.4 | T123 Y127 | T123-D125 WeakPolarHBondContact CB-OD1 3.31Å; T123-D125 PolarHBondContact O-N 3.13Å; T123-D125 PolarHBondContact OG1-OD1 3.15Å; D125-Y127 HydrophobicContact CB-CD2 3.86Å; D125-Y127 HydrophobicContact CB-CE2 4.46Å; D125-Y127 WeakPolarHBondContact O-CD2 3.33Å; D125-Y127 PolarHBondContact O-N 2.85Å; D125-Y127 PolarHBondContact OD1-N 2.78Å |
| 126 | Q | 86.4 | Confident | 94.8 | Very high | 111 Ų | 111 | 70.6 Ų | 70.6 | 52% | 0.519 | 33% | 0.326 | S | S | . | . | S | Bend | trans | 60.6 | 14.5 | 179.9 | -53.6 | -176.1 | 32.6 | 0 | 0 | 115.5 | I111 T123 S124 | I111-Q126 HydrophobicContact CD1-CG 3.64Å; T123-Q126 WeakPolarHBondContact O-CA 3.4Å; T123-Q126 PolarHBondContact O-N 3.49Å; S124-Q126 VanDerWaalsContact C-N 3.3Å |
| 127 | Y | 88.5 | Confident | 94.9 | Very high | 191 Ų | 191 | 68.8 Ų | 68.8 | 75% | 0.749 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -76.4 | -43.4 | 176.5 | -81.3 | -80.6 | 0 | 0 | 0 | 111.9 | D125 | D125-Y127 HydrophobicContact CB-CD2 3.86Å; D125-Y127 HydrophobicContact CB-CE2 4.46Å; D125-Y127 WeakPolarHBondContact O-CD2 3.33Å; D125-Y127 PolarHBondContact O-N 2.85Å; D125-Y127 PolarHBondContact OD1-N 2.78Å |
| 128 | D | 94.3 | Very high | 94.9 | Very high | 110 Ų | 110 | 61.2 Ų | 61.2 | 59% | 0.588 | 29% | 0.291 | S | S | * | . | trans | -111.1 | 131.2 | -174.9 | -70.4 | -38.1 | 0 | 0 | 0 | 111.8 | S122 T123 | S122-D128 CarbonylContact C-O 3.55Å; S122-D128 WeakPolarHBondContact CA-O 3.38Å; S122-D128 WeakPolarHBondContact CB-O 3.38Å; T123-D128 HydrophobicContact CG2-CB 3.87Å; T123-D128 PolarHBondContact N-O 3.35Å; T123-D128 PolarHBondContact OG1-N 3.23Å; T123-D128 VanDerWaalsContact OG1-N 3.14Å; T123-D128 PolarHBondContact OG1-O 3.43Å | ||
| 129 | V | 96.3 | Very high | 94.9 | Very high | 50 Ų | 50 | 65 Ų | 65 | 30% | 0.303 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 113.4 | 173.9 | -177.8 | 0 | 0 | 0 | 0 | 109 | K120 R132 | K120-V129 HydrophobicContact CD-CG1 4.39Å; K120-V129 HydrophobicContact CD-CG2 4.44Å; K120-V129 HydrophobicContact CG-CG1 3.86Å; V129-R132 HydrophobicContact CG1-CG 3.91Å |
| 130 | L | 94.7 | Very high | 94.7 | Very high | 63 Ų | 63 | 69.4 Ų | 69.4 | 33% | 0.33 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | -51.6 | 179 | -76.3 | 73.4 | 0 | 0 | 0 | 110.7 | F110 V121 T123 | F110-L130 HydrophobicContact CD1-CD1 3.85Å; F110-L130 HydrophobicContact CD1-CD2 3.69Å; F110-L130 HydrophobicContact CD1-CG 4.44Å; F110-L130 HydrophobicContact CE1-CD1 3.86Å; F110-L130 HydrophobicContact CE1-CD2 3.36Å; F110-L130 HydrophobicContact CE1-CG 4.27Å; F110-L130 HydrophobicContact CZ-CD2 3.92Å; V121-L130 PolarHBondContact O-N 2.81Å; T123-L130 HydrophobicContact CG2-CD1 3.75Å |
| 131 | H | 96.1 | Very high | 94.7 | Very high | 36 Ų | 36 | 67.2 Ų | 67.2 | 17% | 0.167 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 145.3 | -171.7 | -55.4 | -59.1 | 0 | 0 | 0 | 112.5 | Y67 K120 V121 W170 | Y67-H131 AromaticContact CZ-NE2 3.91Å; K120-H131 WeakPolarHBondContact CA-O 3.49Å; V121-H131 HydrophobicContact CB-CB 4.28Å; V121-H131 PolarHBondContact N-O 2.85Å; V121-H131 PolarHBondContact O-N 3.29Å; V121-H131 VanDerWaalsContact O-N 3.14Å; H131-W170 AromaticContact CE1-CZ3 3.4Å; H131-W170 VanDerWaalsContact CE1-CZ3 3.4Å; H131-W170 WeakPolarHBondContact CE1-CZ3 3.27Å; H131-W170 AromaticContact ND1-CZ3 3.57Å; H131-W170 AromaticContact NE2-CZ3 3.9Å |
| 132 | R | 97 | Very high | 94.6 | Very high | 180 Ų | 180 | 67.9 Ų | 67.9 | 68% | 0.679 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130 | 102.2 | 168.7 | -70.6 | -176.6 | 174.7 | 86.9 | -3.9 | 108.4 | K120 V129 A134 | K120-R132 HydrophobicContact CG-CG 4.38Å; V129-R132 HydrophobicContact CG1-CG 3.91Å; R132-A134 PolarHBondContact O-N 2.96Å |
| 133 | H | 97.3 | Very high | 94.6 | Very high | 13 Ų | 13 | 69.7 Ų | 69.7 | 6% | 0.06 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 95.1 | 175.7 | -53 | -52.9 | 0 | 0 | 0 | 108.2 | G118 I119 I138 L157 T159 W170 Y172 | G118-H133 CarbonylContact C-O 3.58Å; G118-H133 WeakPolarHBondContact CA-O 3.43Å; I119-H133 HydrophobicContact CB-CB 4.22Å; I119-H133 PolarHBondContact N-O 3.06Å; I119-H133 PolarHBondContact O-N 3.37Å; H133-I138 HydrophobicContact CB-CD1 4.19Å; H133-I138 HydrophobicContact CB-CG1 4.23Å; H133-L157 HydrophobicContact CB-CD2 3.97Å; H133-L157 WeakPolarHBondContact CD2-CD2 3.32Å; H133-T159 HydrophobicContact CB-CG2 4.31Å; H133-W170 AromaticContact CE1-CD1 3.79Å; H133-W170 AromaticContact CE1-CD2 3.38Å; H133-W170 AromaticContact CE1-CE2 3.37Å; H133-W170 AromaticContact CE1-CE3 3.86Å; H133-W170 AromaticContact CE1-CG 3.7Å; H133-W170 AromaticContact CE1-CZ2 3.87Å; H133-W170 AromaticContact CE1-NE1 3.57Å; H133-W170 AromaticContact ND1-NE1 3.9Å; H133-W170 AromaticContact NE2-CD2 3.91Å; H133-W170 AromaticContact NE2-CG 3.91Å; H133-Y172 PolarHBondContact NE2-OH 3.44Å |
| 134 | A | 96.6 | Very high | 94.7 | Very high | 29 Ų | 29 | 70 Ų | 70 | 24% | 0.24 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 140 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | R132 Y136 L137 I138 | R132-A134 PolarHBondContact O-N 2.96Å; A134-Y136 VanDerWaalsContact C-N 3.25Å; A134-Y136 HydrophobicContact CB-CD1 3.71Å; A134-Y136 HydrophobicContact CB-CE1 3.47Å; A134-Y136 VanDerWaalsContact CB-CE1 3.47Å; A134-Y136 PolarHBondContact O-N 3.37Å; A134-Y136 VanDerWaalsContact O-N 3.15Å; A134-L137 HydrophobicContact CB-CD1 4.33Å; A134-L137 HydrophobicContact CB-CG 4.46Å; A134-L137 PolarHBondContact O-N 3.44Å; A134-I138 PolarHBondContact O-N 3.46Å |
| 135 | L | 95.5 | Very high | 94.9 | Very high | 14 Ų | 14 | 71.4 Ų | 71.4 | 7% | 0.073 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -54.9 | -40.3 | -172 | -168.4 | 68 | 0 | 0 | 0 | 112.9 | K116 Y117 L137 I138 L187 A190 F191 V194 | K116-L135 WeakPolarHBondContact O-CD2 3.46Å; Y117-L135 PolarHBondContact O-N 3.21Å; L135-L137 PolarHBondContact O-N 3.32Å; L135-I138 PolarHBondContact O-N 2.89Å; L135-L187 HydrophobicContact CD1-CD1 3.62Å; L135-A190 HydrophobicContact CD1-CB 4.42Å; L135-A190 HydrophobicContact CD2-CB 4.45Å; L135-F191 HydrophobicContact CD1-CD1 3.87Å; L135-F191 HydrophobicContact CD1-CD2 4.29Å; L135-F191 HydrophobicContact CD1-CE1 3.58Å; L135-F191 HydrophobicContact CD1-CE2 4.04Å; L135-F191 HydrophobicContact CD1-CG 4.22Å; L135-F191 HydrophobicContact CD1-CZ 3.68Å; L135-F191 HydrophobicContact CD2-CD1 4.15Å; L135-F191 HydrophobicContact CD2-CE1 4.42Å; L135-F191 HydrophobicContact CG-CD1 3.86Å; L135-F191 HydrophobicContact CG-CE1 3.64Å; L135-F191 HydrophobicContact CG-CZ 4.23Å; L135-V194 HydrophobicContact CD2-CB 4.49Å; L135-V194 HydrophobicContact CD2-CG2 3.84Å |
| 136 | Y | 94.8 | Very high | 94.9 | Very high | 182 Ų | 182 | 68 Ų | 68 | 71% | 0.714 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -70 | -15.4 | -179 | 77.6 | -84.8 | 0 | 0 | 0 | 114.5 | A134 | A134-Y136 VanDerWaalsContact C-N 3.25Å; A134-Y136 HydrophobicContact CB-CD1 3.71Å; A134-Y136 HydrophobicContact CB-CE1 3.47Å; A134-Y136 VanDerWaalsContact CB-CE1 3.47Å; A134-Y136 PolarHBondContact O-N 3.37Å; A134-Y136 VanDerWaalsContact O-N 3.15Å |
| 137 | L | 95.6 | Very high | 95.2 | Very high | 36 Ų | 36 | 65.8 Ų | 65.8 | 19% | 0.188 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -96.2 | -10.5 | 176.8 | -64.2 | 178.7 | 0 | 0 | 0 | 112.6 | A134 L135 V139 T159 T160 | A134-L137 HydrophobicContact CB-CD1 4.33Å; A134-L137 HydrophobicContact CB-CG 4.46Å; A134-L137 PolarHBondContact O-N 3.44Å; L135-L137 PolarHBondContact O-N 3.32Å; L137-V139 PolarHBondContact O-N 3.43Å; L137-T159 CarbonylContact O-C 3.58Å; L137-T159 VanDerWaalsContact O-CA 3.27Å; L137-T159 WeakPolarHBondContact O-CA 3.35Å; L137-T160 PolarHBondContact O-N 3.39Å |
| 138 | I | 96 | Very high | 95.3 | Very high | 11 Ų | 11 | 61 Ų | 61 | 6% | 0.056 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 116.8 | 178.5 | -64.9 | 171.7 | 0 | 0 | 0 | 108.4 | I119 H133 A134 L135 L157 T159 L187 F191 | I119-I138 HydrophobicContact CD1-CD1 3.9Å; I119-I138 HydrophobicContact CG1-CD1 3.96Å; H133-I138 HydrophobicContact CB-CD1 4.19Å; H133-I138 HydrophobicContact CB-CG1 4.23Å; A134-I138 PolarHBondContact O-N 3.46Å; L135-I138 PolarHBondContact O-N 2.89Å; I138-L157 HydrophobicContact CD1-CD1 4.3Å; I138-L157 HydrophobicContact CG1-CD1 4.2Å; I138-L157 HydrophobicContact CG2-CD1 3.62Å; I138-T159 HydrophobicContact CG1-CG2 4.27Å; I138-L187 HydrophobicContact CD1-CD1 4.22Å; I138-L187 HydrophobicContact CG2-CD2 4.47Å; I138-F191 HydrophobicContact CB-CZ 4.03Å; I138-F191 HydrophobicContact CG2-CE2 4.41Å; I138-F191 HydrophobicContact CG2-CZ 3.94Å |
| 139 | V | 94.1 | Very high | 95 | Very high | 81 Ų | 81 | 59.4 Ų | 59.4 | 49% | 0.491 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | -44.3 | 178.3 | 179.9 | 0 | 0 | 0 | 0 | 110.5 | L137 K158 T160 | L137-V139 PolarHBondContact O-N 3.43Å; V139-K158 HydrophobicContact CB-CD 4.32Å; V139-K158 HydrophobicContact CB-CG 4.23Å; V139-K158 HydrophobicContact CG1-CD 4.21Å; V139-K158 PolarHBondContact N-O 2.78Å; V139-T160 HydrophobicContact CG2-CG2 3.87Å |
| 140 | R | 94.5 | Very high | 94.7 | Very high | 99 Ų | 99 | 60.3 Ų | 60.3 | 37% | 0.374 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 149 | -177.4 | -177.1 | -174.9 | -71 | -94.6 | 6.8 | 110.4 | E83 V142 K158 | E83-R140 PolarHBondContact O-NH2 2.87Å; R140-V142 HydrophobicContact CG-CG2 3.85Å; R140-K158 PolarHBondContact N-O 2.91Å; R140-K158 PolarHBondContact O-N 2.83Å |
| 141 | M | 96.9 | Very high | 94.4 | Very high | 32 Ų | 32 | 59.4 Ų | 59.4 | 16% | 0.158 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 134.6 | 162.6 | -169.5 | 168.1 | 71.2 | 0 | 0 | 109.6 | I119 L155 A156 L157 I183 C184 L187 | I119-M141 HydrophobicContact CD1-SD 4.07Å; M141-L155 HydrophobicContact CG-CD2 4.49Å; M141-A156 CarbonylContact C-O 3.57Å; M141-A156 WeakPolarHBondContact CA-O 3.18Å; M141-L157 HydrophobicContact CB-CD1 3.91Å; M141-L157 HydrophobicContact CG-CD1 4.11Å; M141-L157 HydrophobicContact SD-CD1 4.19Å; M141-I183 HydrophobicContact CE-CG2 3.71Å; M141-I183 HydrophobicContact SD-CG2 4.2Å; M141-C184 HydrophobicContact CE-CB 4.17Å; M141-L187 HydrophobicContact CB-CD2 3.84Å; M141-L187 HydrophobicContact CE-CB 3.92Å; M141-L187 HydrophobicContact CE-CD2 3.4Å; M141-L187 VanDerWaalsContact CE-CD2 3.4Å; M141-L187 HydrophobicContact CE-CG 4.31Å; M141-L187 HydrophobicContact CG-CD2 4.47Å; M141-L187 HydrophobicContact SD-CD2 3.79Å |
| 142 | V | 97.1 | Very high | 94.4 | Very high | 16 Ų | 16 | 61.6 Ų | 61.6 | 10% | 0.097 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 128.3 | 179 | -178.1 | 0 | 0 | 0 | 0 | 109.1 | P85 L88 I89 R140 Y144 L155 A156 | P85-V142 HydrophobicContact CB-CG1 4.33Å; P85-V142 HydrophobicContact CB-CG2 3.83Å; L88-V142 HydrophobicContact CD2-CB 4.4Å; L88-V142 HydrophobicContact CD2-CG2 3.91Å; I89-V142 HydrophobicContact CD1-CG1 3.93Å; I89-V142 HydrophobicContact CG1-CG1 4.16Å; R140-V142 HydrophobicContact CG-CG2 3.85Å; V142-Y144 HydrophobicContact CG1-CD1 4.4Å; V142-L155 WeakPolarHBondContact O-CA 3.19Å; V142-A156 PolarHBondContact N-O 2.91Å; V142-A156 PolarHBondContact O-N 2.89Å |
| 143 | C | 96.9 | Very high | 94.4 | Very high | 40 Ų | 40 | 53.2 Ų | 53.2 | 27% | 0.27 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 128.7 | 169.5 | 175.2 | 0 | 0 | 0 | 0 | 109.1 | L154 L155 A180 | C143-L154 VanDerWaalsContact CA-O 3.32Å; C143-L154 WeakPolarHBondContact CA-O 3.48Å; C143-L155 HydrophobicContact CB-CD2 3.73Å; C143-A180 HydrophobicContact CB-CB 4.48Å; C143-A180 WeakPolarHBondContact SG-CB 3.3Å |
| 144 | Y | 96.7 | Very high | 94.4 | Very high | 23 Ų | 23 | 52.7 Ų | 52.7 | 9% | 0.09 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 165.3 | 178.2 | 68 | -74.7 | 0 | 0 | 0 | 111.7 | I89 I92 V142 S153 L154 A156 | I89-Y144 HydrophobicContact CD1-CD1 4.31Å; I89-Y144 HydrophobicContact CD1-CD2 4.38Å; I89-Y144 HydrophobicContact CD1-CG 3.93Å; I89-Y144 HydrophobicContact CG1-CD1 3.87Å; I89-Y144 HydrophobicContact CG1-CD2 4.12Å; I89-Y144 HydrophobicContact CG1-CE1 4.21Å; I89-Y144 HydrophobicContact CG1-CE2 4.44Å; I89-Y144 HydrophobicContact CG1-CG 3.83Å; I89-Y144 HydrophobicContact CG2-CD2 3.81Å; I89-Y144 HydrophobicContact CG2-CE2 3.85Å; I89-Y144 HydrophobicContact CG2-CG 4.39Å; I92-Y144 WeakPolarHBondContact CG2-OH 3.48Å; V142-Y144 HydrophobicContact CG1-CD1 4.4Å; Y144-S153 WeakPolarHBondContact O-CA 3.34Å; Y144-L154 HydrophobicContact CD1-CB 4.25Å; Y144-L154 HydrophobicContact CE1-CB 3.78Å; Y144-L154 HydrophobicContact CE2-CB 4.36Å; Y144-L154 HydrophobicContact CE2-CD1 4.06Å; Y144-L154 PolarHBondContact N-O 3.16Å; Y144-L154 PolarHBondContact O-N 2.9Å; Y144-A156 HydrophobicContact CE1-CB 3.95Å |
| 145 | D | 96 | Very high | 94.4 | Very high | 90 Ų | 90 | 51.4 Ų | 51.4 | 48% | 0.481 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 137.6 | 174.8 | -170.2 | -70.8 | 0 | 0 | 0 | 109.7 | G147 | D145-G147 PolarHBondContact O-N 2.88Å; D145-G147 PolarHBondContact OD1-N 3.14Å |
| 146 | D | 92.6 | Very high | 94.5 | Very high | 21 Ų | 21 | 50.8 Ų | 50.8 | 11% | 0.112 | 30% | 0.304 | C | S | . | . | trans | -65.5 | -15 | -178.9 | 72.3 | -10 | 0 | 0 | 0 | 114.1 | L148 K152 L154 | D146-L148 HydrophobicContact CB-CG 4.32Å; D146-L148 PolarHBondContact O-N 2.87Å; D146-L148 VanDerWaalsContact O-N 3.15Å; D146-L148 PolarHBondContact OD1-N 2.92Å; D146-L148 VanDerWaalsContact OD1-N 3.17Å; D146-K152 HydrophobicContact CB-CB 4.5Å; D146-K152 PolarHBondContact N-O 3.18Å; D146-K152 PolarHBondContact OD1-N 3.23Å; D146-K152 WeakPolarHBondContact OD2-CB 3.37Å; D146-L154 HydrophobicContact CB-CD1 3.85Å; D146-L154 HydrophobicContact CB-CG 4.04Å | ||
| 147 | G | 91.4 | Very high | 94.7 | Very high | 64 Ų | 64 | 42.2 Ų | 42.2 | 66% | 0.66 | 27% | 0.271 | S | S | * | . | S | Bend | trans | 69.9 | 7.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D145 G149 | D145-G147 PolarHBondContact O-N 2.88Å; D145-G147 PolarHBondContact OD1-N 3.14Å; G147-G149 VanDerWaalsContact C-N 3.3Å |
| 148 | L | 90.6 | Very high | 94.7 | Very high | 91 Ų | 91 | 41.3 Ų | 41.3 | 48% | 0.476 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -90.4 | 4.2 | -177.2 | -57 | -177.5 | 0 | 0 | 0 | 112.9 | F103 D146 A150 | F103-L148 HydrophobicContact CB-CD1 4.11Å; F103-L148 HydrophobicContact CD1-CD1 4.23Å; F103-L148 HydrophobicContact CD1-CD2 4.25Å; D146-L148 HydrophobicContact CB-CG 4.32Å; D146-L148 PolarHBondContact O-N 2.87Å; D146-L148 VanDerWaalsContact O-N 3.15Å; D146-L148 PolarHBondContact OD1-N 2.92Å; D146-L148 VanDerWaalsContact OD1-N 3.17Å; L148-A150 VanDerWaalsContact C-N 3.29Å; L148-A150 PolarHBondContact O-N 2.95Å |
| 149 | G | 89.3 | Confident | 94.7 | Very high | 77 Ų | 77 | 41.3 Ų | 41.3 | 79% | 0.794 | 27% | 0.266 | S | S | * | . | S | Bend | trans | 85.9 | -11.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | G147 G151 | G147-G149 VanDerWaalsContact C-N 3.3Å; G149-G151 VanDerWaalsContact C-N 3.28Å |
| 150 | A | 89.2 | Confident | 94.7 | Very high | 68 Ų | 68 | 38.6 Ų | 38.6 | 56% | 0.562 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -80.7 | -9.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L148 K152 | L148-A150 VanDerWaalsContact C-N 3.29Å; L148-A150 PolarHBondContact O-N 2.95Å; A150-K152 VanDerWaalsContact C-N 3.34Å; A150-K152 HydrophobicContact CB-CG 4.11Å; A150-K152 PolarHBondContact O-N 2.87Å |
| 151 | G | 89 | Confident | 94.6 | Very high | 44 Ų | 44 | 36.2 Ų | 36.2 | 45% | 0.454 | 24% | 0.244 | S | C | . | . | trans | 64.2 | 37.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | G149 | G149-G151 VanDerWaalsContact C-N 3.28Š| ||
| 152 | K | 94.5 | Very high | 94.2 | Very high | 83 Ų | 83 | 38.9 Ų | 38.9 | 36% | 0.361 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -81.3 | 141.2 | 177.2 | -59 | -59.6 | -174.2 | -178.5 | 0 | 109.1 | D146 A150 Q173 | D146-K152 HydrophobicContact CB-CB 4.5Å; D146-K152 PolarHBondContact N-O 3.18Å; D146-K152 PolarHBondContact OD1-N 3.23Å; D146-K152 WeakPolarHBondContact OD2-CB 3.37Å; A150-K152 VanDerWaalsContact C-N 3.34Å; A150-K152 HydrophobicContact CB-CG 4.11Å; A150-K152 PolarHBondContact O-N 2.87Å; K152-Q173 HydrophobicContact CB-CG 4.24Å |
| 153 | S | 97.1 | Very high | 93.7 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 121.9 | 179.2 | -54.8 | 0 | 0 | 0 | 0 | 110 | Y144 C174 L177 | Y144-S153 WeakPolarHBondContact O-CA 3.34Å; S153-C174 PolarHBondContact O-N 3.28Å; S153-L177 VanDerWaalsContact OG-CA 3.22Å; S153-L177 WeakPolarHBondContact OG-CA 3.38Å; S153-L177 WeakPolarHBondContact OG-CB 3.43Å; S153-L177 PolarHBondContact OG-N 3.11Å |
| 154 | L | 97.4 | Very high | 93 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.016 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 143.8 | 176.1 | -62.6 | -178.9 | 0 | 0 | 0 | 110.7 | V68 C143 Y144 D146 Y172 Q173 | V68-L154 HydrophobicContact CG2-CD2 4.12Å; C143-L154 VanDerWaalsContact CA-O 3.32Å; C143-L154 WeakPolarHBondContact CA-O 3.48Å; Y144-L154 HydrophobicContact CD1-CB 4.25Å; Y144-L154 HydrophobicContact CE1-CB 3.78Å; Y144-L154 HydrophobicContact CE2-CB 4.36Å; Y144-L154 HydrophobicContact CE2-CD1 4.06Å; Y144-L154 PolarHBondContact N-O 3.16Å; Y144-L154 PolarHBondContact O-N 2.9Å; D146-L154 HydrophobicContact CB-CD1 3.85Å; D146-L154 HydrophobicContact CB-CG 4.04Å; L154-Y172 CarbonylContact C-O 3.51Å; L154-Y172 WeakPolarHBondContact CA-O 3.41Å; L154-Q173 HydrophobicContact CD2-CB 3.73Å; L154-Q173 HydrophobicContact CD2-CG 3.93Å |
| 155 | L | 98 | Very high | 92.5 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 113.3 | 169.1 | -69.7 | 176.5 | 0 | 0 | 0 | 108.6 | M141 V142 C143 V171 Y172 C174 A180 I183 | M141-L155 HydrophobicContact CG-CD2 4.49Å; V142-L155 WeakPolarHBondContact O-CA 3.19Å; C143-L155 HydrophobicContact CB-CD2 3.73Å; L155-V171 WeakPolarHBondContact O-CA 3.38Å; L155-Y172 PolarHBondContact N-O 3.23Å; L155-Y172 PolarHBondContact O-N 2.79Å; L155-C174 WeakPolarHBondContact CD1-SG 3.43Å; L155-A180 HydrophobicContact CD2-CB 4.11Å; L155-A180 HydrophobicContact CG-CB 4.37Å; L155-I183 HydrophobicContact CD1-CB 4.1Å; L155-I183 HydrophobicContact CD1-CD1 3.65Å; L155-I183 HydrophobicContact CD1-CG1 4.47Å; L155-I183 HydrophobicContact CD1-CG2 3.7Å |
| 156 | A | 97.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.008 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 116.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | L88 I92 M141 V142 Y144 | L88-A156 HydrophobicContact CD2-CB 3.97Å; L88-A156 HydrophobicContact CG-CB 4.21Å; I92-A156 HydrophobicContact CD1-CB 3.33Å; M141-A156 CarbonylContact C-O 3.57Å; M141-A156 WeakPolarHBondContact CA-O 3.18Å; V142-A156 PolarHBondContact N-O 2.91Å; V142-A156 PolarHBondContact O-N 2.89Å; Y144-A156 HydrophobicContact CE1-CB 3.95Å |
| 157 | L | 97.7 | Very high | 92.1 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 120.6 | 176.2 | -175.2 | 71.5 | 0 | 0 | 0 | 109.3 | I119 H133 I138 M141 T159 L169 W170 | I119-L157 HydrophobicContact CD1-CD1 3.96Å; I119-L157 HydrophobicContact CD1-CD2 4.04Å; H133-L157 HydrophobicContact CB-CD2 3.97Å; H133-L157 WeakPolarHBondContact CD2-CD2 3.32Å; I138-L157 HydrophobicContact CD1-CD1 4.3Å; I138-L157 HydrophobicContact CG1-CD1 4.2Å; I138-L157 HydrophobicContact CG2-CD1 3.62Å; M141-L157 HydrophobicContact CB-CD1 3.91Å; M141-L157 HydrophobicContact CG-CD1 4.11Å; M141-L157 HydrophobicContact SD-CD1 4.19Å; L157-T159 HydrophobicContact CD2-CG2 3.9Å; L157-T159 HydrophobicContact CG-CG2 3.95Å; L157-L169 CarbonylContact O-C 3.53Å; L157-L169 WeakPolarHBondContact O-CA 3.26Å; L157-W170 HydrophobicContact CB-CB 4.19Å; L157-W170 PolarHBondContact N-O 2.96Å; L157-W170 PolarHBondContact O-N 2.8Å |
| 158 | K | 96 | Very high | 92.3 | Very high | 17 Ų | 17 | 44.6 Ų | 44.6 | 7% | 0.074 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 118.4 | 170 | -176.2 | -178 | -174 | -176.4 | 0 | 108.5 | S79 L82 L88 V139 R140 L169 | S79-K158 PolarHBondContact O-NZ 2.9Å; S79-K158 VanDerWaalsContact O-NZ 3.15Å; L82-K158 PolarHBondContact O-NZ 3.34Å; L88-K158 HydrophobicContact CD2-CB 4.36Å; V139-K158 HydrophobicContact CB-CD 4.32Å; V139-K158 HydrophobicContact CB-CG 4.23Å; V139-K158 HydrophobicContact CG1-CD 4.21Å; V139-K158 PolarHBondContact N-O 2.78Å; R140-K158 PolarHBondContact N-O 2.91Å; R140-K158 PolarHBondContact O-N 2.83Å; K158-L169 HydrophobicContact CB-CD2 3.94Å; K158-L169 HydrophobicContact CG-CD2 3.83Å |
| 159 | T | 95.5 | Very high | 92.6 | Very high | 12 Ų | 12 | 40.3 Ų | 40.3 | 7% | 0.074 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 156.1 | 172.5 | 64.4 | 0 | 0 | 0 | 0 | 110.4 | H133 L137 I138 L157 C167 S168 W170 | H133-T159 HydrophobicContact CB-CG2 4.31Å; L137-T159 CarbonylContact O-C 3.58Å; L137-T159 VanDerWaalsContact O-CA 3.27Å; L137-T159 WeakPolarHBondContact O-CA 3.35Å; I138-T159 HydrophobicContact CG1-CG2 4.27Å; L157-T159 HydrophobicContact CD2-CG2 3.9Å; L157-T159 HydrophobicContact CG-CG2 3.95Å; T159-C167 CarbonylContact O-C 3.57Å; T159-C167 WeakPolarHBondContact O-CA 3.35Å; T159-S168 PolarHBondContact N-O 3.38Å; T159-S168 PolarHBondContact O-N 3.2Å; T159-W170 PolarHBondContact OG1-NE1 3.09Å |
| 160 | T | 94.1 | Very high | 93 | Very high | 24 Ų | 24 | 37.7 Ų | 37.7 | 15% | 0.147 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 164.6 | 172.4 | -164.7 | 0 | 0 | 0 | 0 | 110.5 | L137 V139 S164 E166 | L137-T160 PolarHBondContact O-N 3.39Å; V139-T160 HydrophobicContact CG2-CG2 3.87Å; T160-S164 WeakPolarHBondContact OG1-CA 3.33Å; T160-E166 WeakPolarHBondContact CA-O 3.34Å; T160-E166 PolarHBondContact OG1-O 3.21Å |
| 161 | D | 92.1 | Very high | 93.4 | Very high | 49 Ų | 49 | 34.4 Ų | 34.4 | 26% | 0.262 | 21% | 0.212 | S | C | . | . | trans | -82.8 | 173 | 168.3 | 77.7 | -45.4 | 0 | 0 | 0 | 112.1 | A163 S164 E165 E166 | D161-A163 PolarHBondContact O-N 2.83Å; D161-A163 WeakPolarHBondContact OD2-CB 3.32Å; D161-A163 PolarHBondContact OD2-N 2.84Å; D161-S164 PolarHBondContact O-N 3Å; D161-S164 VanDerWaalsContact O-N 3.09Å; D161-S164 VanDerWaalsContact OD1-CA 3.3Å; D161-S164 WeakPolarHBondContact OD1-CA 3.37Å; D161-S164 PolarHBondContact OD1-N 3.33Å; D161-E165 PolarHBondContact OD1-N 3.35Å; D161-E166 HydrophobicContact CB-CB 4.43Å; D161-E166 PolarHBondContact N-O 2.88Å; D161-E166 VanDerWaalsContact N-O 3.11Å; D161-E166 PolarHBondContact OD1-N 2.93Å | ||
| 162 | A | 89.1 | Confident | 93.8 | Very high | 87 Ų | 87 | 32.5 Ų | 32.5 | 72% | 0.719 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | -26 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 163 | A | 86.7 | Confident | 94 | Very high | 62 Ų | 62 | 29.3 Ų | 29.3 | 51% | 0.512 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -8.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | D161 E165 | D161-A163 PolarHBondContact O-N 2.83Å; D161-A163 WeakPolarHBondContact OD2-CB 3.32Å; D161-A163 PolarHBondContact OD2-N 2.84Å; A163-E165 HydrophobicContact CB-CB 4.48Å; A163-E165 HydrophobicContact CB-CG 3.94Å; A163-E165 PolarHBondContact O-N 3.4Å |
| 164 | S | 82.8 | Confident | 94 | Very high | 74 Ų | 74 | 29.2 Ų | 29.2 | 52% | 0.517 | 18% | 0.176 | S | C | . | . | S | Bend | trans | 58.8 | 31.1 | -174.3 | -55.1 | 0 | 0 | 0 | 0 | 114.1 | T160 D161 | T160-S164 WeakPolarHBondContact OG1-CA 3.33Å; D161-S164 PolarHBondContact O-N 3Å; D161-S164 VanDerWaalsContact O-N 3.09Å; D161-S164 VanDerWaalsContact OD1-CA 3.3Å; D161-S164 WeakPolarHBondContact OD1-CA 3.37Å; D161-S164 PolarHBondContact OD1-N 3.33Å |
| 165 | E | 85.3 | Confident | 93.9 | Very high | 130 Ų | 130 | 33 Ų | 33 | 61% | 0.607 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -104.2 | -29.1 | -179.4 | -63.8 | -170.8 | 165.4 | 0 | 0 | 112.1 | Y76 D161 A163 | Y76-E165 WeakPolarHBondContact CB-O 3.34Å; Y76-E165 PolarHBondContact N-O 3.18Å; D161-E165 PolarHBondContact OD1-N 3.35Å; A163-E165 HydrophobicContact CB-CB 4.48Å; A163-E165 HydrophobicContact CB-CG 3.94Å; A163-E165 PolarHBondContact O-N 3.4Å |
| 166 | E | 90.1 | Very high | 93.7 | Very high | 81 Ų | 81 | 35.4 Ų | 35.4 | 38% | 0.379 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 143.4 | -178.9 | -64.8 | -171.4 | 167.3 | 0 | 0 | 111.1 | L74 T160 D161 | L74-E166 WeakPolarHBondContact O-CA 3.28Å; T160-E166 WeakPolarHBondContact CA-O 3.34Å; T160-E166 PolarHBondContact OG1-O 3.21Å; D161-E166 HydrophobicContact CB-CB 4.43Å; D161-E166 PolarHBondContact N-O 2.88Å; D161-E166 VanDerWaalsContact N-O 3.11Å; D161-E166 PolarHBondContact OD1-N 2.93Å |
| 167 | C | 91.6 | Very high | 93.7 | Very high | 9 Ų | 9 | 39.7 Ų | 39.7 | 6% | 0.061 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 147.7 | 173.9 | -72.7 | 0 | 0 | 0 | 0 | 110.9 | K73 L74 S79 T159 | K73-C167 PolarHBondContact N-O 3.24Å; L74-C167 HydrophobicContact CB-CB 4.5Å; L74-C167 VanDerWaalsContact CB-O 3.31Å; L74-C167 WeakPolarHBondContact CB-O 3.42Å; L74-C167 PolarHBondContact N-O 3.11Å; L74-C167 PolarHBondContact O-N 3.01Å; S79-C167 WeakPolarHBondContact CB-SG 3.48Å; T159-C167 CarbonylContact O-C 3.57Å; T159-C167 WeakPolarHBondContact O-CA 3.35Å |
| 168 | S | 94.8 | Very high | 93.6 | Very high | 19 Ų | 19 | 47 Ų | 47 | 13% | 0.133 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 141.1 | 172.1 | -58.5 | 0 | 0 | 0 | 0 | 109.7 | I71 K73 T159 | I71-S168 CarbonylContact O-C 3.53Å; I71-S168 WeakPolarHBondContact O-CA 3.37Å; K73-S168 PolarHBondContact N-OG 3.43Å; T159-S168 PolarHBondContact N-O 3.38Å; T159-S168 PolarHBondContact O-N 3.2Å |
| 169 | L | 96.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 132.1 | 177.4 | -53.5 | -176 | 0 | 0 | 0 | 108.8 | A70 I71 L74 L82 L88 Y91 I92 L157 K158 | A70-L169 CarbonylContact C-O 3.54Å; A70-L169 WeakPolarHBondContact CA-O 3.32Å; A70-L169 WeakPolarHBondContact CB-O 3.41Å; I71-L169 HydrophobicContact CB-CB 4.39Å; I71-L169 PolarHBondContact N-O 3.5Å; I71-L169 PolarHBondContact O-N 2.84Å; L74-L169 HydrophobicContact CD1-CD1 3.92Å; L74-L169 HydrophobicContact CD1-CG 3.83Å; L82-L169 HydrophobicContact CD1-CD1 4.15Å; L82-L169 HydrophobicContact CD1-CD2 4.42Å; L88-L169 HydrophobicContact CD1-CD1 3.76Å; L88-L169 HydrophobicContact CD1-CD2 3.48Å; L88-L169 VanDerWaalsContact CD1-CD2 3.48Å; L88-L169 HydrophobicContact CD1-CG 4.19Å; Y91-L169 HydrophobicContact CD1-CD1 3.55Å; Y91-L169 HydrophobicContact CE1-CD1 3.87Å; I92-L169 HydrophobicContact CG1-CD1 4.46Å; L157-L169 CarbonylContact O-C 3.53Å; L157-L169 WeakPolarHBondContact O-CA 3.26Å; K158-L169 HydrophobicContact CB-CD2 3.94Å; K158-L169 HydrophobicContact CG-CD2 3.83Å |
| 170 | W | 97.9 | Very high | 93.7 | Very high | 21 Ų | 21 | 47 Ų | 47 | 8% | 0.08 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 129.9 | 178.3 | -44.6 | 83.2 | 0 | 0 | 0 | 108.6 | A70 E72 H131 H133 L157 T159 Y172 | A70-W170 HydrophobicContact CB-CD2 4.04Å; A70-W170 HydrophobicContact CB-CE3 3.4Å; A70-W170 VanDerWaalsContact CB-CE3 3.4Å; A70-W170 HydrophobicContact CB-CH2 4.42Å; A70-W170 HydrophobicContact CB-CZ3 3.61Å; E72-W170 HydrophobicContact CG-CH2 3.93Å; E72-W170 HydrophobicContact CG-CZ2 4.3Å; E72-W170 HydrophobicContact CG-CZ3 4.48Å; H131-W170 AromaticContact CE1-CZ3 3.4Å; H131-W170 VanDerWaalsContact CE1-CZ3 3.4Å; H131-W170 WeakPolarHBondContact CE1-CZ3 3.27Å; H131-W170 AromaticContact ND1-CZ3 3.57Å; H131-W170 AromaticContact NE2-CZ3 3.9Å; H133-W170 AromaticContact CE1-CD1 3.79Å; H133-W170 AromaticContact CE1-CD2 3.38Å; H133-W170 AromaticContact CE1-CE2 3.37Å; H133-W170 AromaticContact CE1-CE3 3.86Å; H133-W170 AromaticContact CE1-CG 3.7Å; H133-W170 AromaticContact CE1-CZ2 3.87Å; H133-W170 AromaticContact CE1-NE1 3.57Å; H133-W170 AromaticContact ND1-NE1 3.9Å; H133-W170 AromaticContact NE2-CD2 3.91Å; H133-W170 AromaticContact NE2-CG 3.91Å; L157-W170 HydrophobicContact CB-CB 4.19Å; L157-W170 PolarHBondContact N-O 2.96Å; L157-W170 PolarHBondContact O-N 2.8Å; T159-W170 PolarHBondContact OG1-NE1 3.09Å; W170-Y172 HydrophobicContact CB-CE2 3.67Å |
| 171 | V | 97.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 125.6 | -176.6 | -171.7 | 0 | 0 | 0 | 0 | 109.9 | V68 G69 I92 L101 L155 | V68-V171 HydrophobicContact CB-CB 3.98Å; V68-V171 HydrophobicContact CB-CG1 3.89Å; V68-V171 WeakPolarHBondContact CB-O 3.37Å; V68-V171 HydrophobicContact CG1-CB 4.4Å; V68-V171 HydrophobicContact CG1-CG1 4.21Å; V68-V171 HydrophobicContact CG2-CG1 3.99Å; V68-V171 PolarHBondContact N-O 3.5Å; G69-V171 PolarHBondContact N-O 2.88Å; G69-V171 PolarHBondContact O-N 3.29Å; I92-V171 HydrophobicContact CD1-CG2 3.79Å; I92-V171 HydrophobicContact CG1-CG2 4.16Å; I92-V171 HydrophobicContact CG2-CG2 4.11Å; L101-V171 HydrophobicContact CD1-CG2 4.03Å; L155-V171 WeakPolarHBondContact O-CA 3.38Å |
| 172 | Y | 98.1 | Very high | 94.1 | Very high | 3 Ų | 3 | 50.5 Ų | 50.5 | 1% | 0.012 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 147.7 | 177.8 | -53.9 | -84 | 0 | 0 | 0 | 109.8 | V65 K66 Y67 M112 V121 H133 L154 L155 W170 | V65-Y172 HydrophobicContact CG2-CD1 4.31Å; K66-Y172 CarbonylContact O-C 3.58Å; K66-Y172 WeakPolarHBondContact O-CA 3.38Å; Y67-Y172 AromaticContact CD2-CD1 3.71Å; Y67-Y172 HydrophobicContact CD2-CD1 3.71Å; Y67-Y172 AromaticContact CD2-CE1 3.41Å; Y67-Y172 HydrophobicContact CD2-CE1 3.41Å; Y67-Y172 VanDerWaalsContact CD2-CE1 3.41Å; Y67-Y172 AromaticContact CE2-CE1 3.93Å; Y67-Y172 HydrophobicContact CE2-CE1 3.93Å; Y67-Y172 HydrophobicContact CG-CE1 4.38Å; M112-Y172 HydrophobicContact CE-CD1 3.79Å; M112-Y172 HydrophobicContact CE-CD2 3.47Å; M112-Y172 VanDerWaalsContact CE-CD2 3.47Å; M112-Y172 HydrophobicContact CE-CE1 4.07Å; M112-Y172 HydrophobicContact CE-CE2 3.74Å; M112-Y172 HydrophobicContact CE-CG 3.49Å; M112-Y172 VanDerWaalsContact CE-CG 3.49Å; V121-Y172 HydrophobicContact CG1-CE1 4.33Å; V121-Y172 HydrophobicContact CG2-CE1 4Å; H133-Y172 PolarHBondContact NE2-OH 3.44Å; L154-Y172 CarbonylContact C-O 3.51Å; L154-Y172 WeakPolarHBondContact CA-O 3.41Å; L155-Y172 PolarHBondContact N-O 3.23Å; L155-Y172 PolarHBondContact O-N 2.79Å; W170-Y172 HydrophobicContact CB-CE2 3.67Å |
| 173 | Q | 97.9 | Very high | 94.4 | Very high | 17 Ų | 17 | 46.4 Ų | 46.4 | 8% | 0.079 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 127.3 | 172.7 | -174.8 | -172.8 | -74.9 | 0 | 0 | 109.6 | K66 V68 P105 K152 L154 | K66-Q173 HydrophobicContact CB-CB 4.3Å; K66-Q173 PolarHBondContact N-O 3.19Å; K66-Q173 PolarHBondContact O-N 2.84Å; V68-Q173 HydrophobicContact CG2-CB 4.16Å; P105-Q173 HydrophobicContact CG-CB 3.96Å; P105-Q173 HydrophobicContact CG-CG 4.44Å; P105-Q173 VanDerWaalsContact CG-OE1 3.31Å; K152-Q173 HydrophobicContact CB-CG 4.24Å; L154-Q173 HydrophobicContact CD2-CB 3.73Å; L154-Q173 HydrophobicContact CD2-CG 3.93Å |
| 174 | C | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 159 | 174.3 | -65.9 | 0 | 0 | 0 | 0 | 111.4 | S153 L155 S176 A180 | S153-C174 PolarHBondContact O-N 3.28Å; L155-C174 WeakPolarHBondContact CD1-SG 3.43Å; C174-S176 VanDerWaalsContact C-N 3.33Å; C174-A180 HydrophobicContact CB-CB 3.92Å |
| 175 | N | 94.3 | Very high | 95.5 | Very high | 82 Ų | 82 | 48.6 Ų | 48.6 | 44% | 0.439 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -74 | -27 | 176.1 | -69 | -20.2 | 0 | 0 | 0 | 112.2 | ||
| 176 | S | 95.7 | Very high | 96.1 | Very high | 52 Ų | 52 | 43.8 Ų | 43.8 | 36% | 0.364 | 23% | 0.226 | S | C | . | . | trans | -153.4 | 162.6 | 176.8 | 70.3 | 0 | 0 | 0 | 0 | 112.2 | C174 E178 Q179 A180 | C174-S176 VanDerWaalsContact C-N 3.33Å; S176-E178 VanDerWaalsContact C-N 3.29Å; S176-E178 PolarHBondContact O-N 2.96Å; S176-Q179 PolarHBondContact O-N 2.97Å; S176-Q179 PolarHBondContact OG-N 2.97Å; S176-Q179 VanDerWaalsContact OG-N 3.14Å; S176-A180 PolarHBondContact O-N 2.98Å; S176-A180 VanDerWaalsContact O-N 3.13Å | ||
| 177 | L | 96 | Very high | 96.3 | Very high | 92 Ų | 92 | 40.2 Ų | 40.2 | 48% | 0.482 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.9 | -39.4 | 171.8 | 178.4 | 61.2 | 0 | 0 | 0 | 112 | S153 Q179 A180 Q181 | S153-L177 VanDerWaalsContact OG-CA 3.22Å; S153-L177 WeakPolarHBondContact OG-CA 3.38Å; S153-L177 WeakPolarHBondContact OG-CB 3.43Å; S153-L177 PolarHBondContact OG-N 3.11Å; L177-Q179 VanDerWaalsContact C-N 3.31Å; L177-Q179 PolarHBondContact O-N 2.95Å; L177-A180 PolarHBondContact O-N 3.18Å; L177-Q181 HydrophobicContact CD1-CG 4.17Å; L177-Q181 HydrophobicContact CG-CG 4.37Å; L177-Q181 WeakPolarHBondContact O-CB 3.35Å; L177-Q181 VanDerWaalsContact O-CG 3.31Å; L177-Q181 WeakPolarHBondContact O-CG 3.34Å; L177-Q181 PolarHBondContact O-N 3.15Å |
| 178 | E | 96.5 | Very high | 96.5 | Very high | 154 Ų | 154 | 43 Ų | 43 | 72% | 0.72 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -59.8 | -43.2 | 177.4 | -176.7 | 179.5 | -174.5 | 0 | 0 | 111.3 | S176 Q181 A182 | S176-E178 VanDerWaalsContact C-N 3.29Å; S176-E178 PolarHBondContact O-N 2.96Å; E178-Q181 PolarHBondContact O-N 3.03Å; E178-A182 WeakPolarHBondContact O-CB 3.35Å; E178-A182 PolarHBondContact O-N 2.9Å |
| 179 | Q | 96.9 | Very high | 96.4 | Very high | 29 Ų | 29 | 45 Ų | 45 | 14% | 0.136 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63 | -45.9 | 175.9 | -172.8 | -171.5 | 37.6 | 0 | 0 | 111.4 | F63 R64 S176 L177 Q181 A182 I183 | F63-Q179 HydrophobicContact CB-CG 4.48Å; F63-Q179 HydrophobicContact CD1-CG 3.84Å; R64-Q179 PolarHBondContact O-NE2 3.15Å; R64-Q179 PolarHBondContact O-OE1 3.17Å; S176-Q179 PolarHBondContact O-N 2.97Å; S176-Q179 PolarHBondContact OG-N 2.97Å; S176-Q179 VanDerWaalsContact OG-N 3.14Å; L177-Q179 VanDerWaalsContact C-N 3.31Å; L177-Q179 PolarHBondContact O-N 2.95Å; Q179-Q181 VanDerWaalsContact C-N 3.33Å; Q179-Q181 PolarHBondContact O-N 3.06Å; Q179-A182 WeakPolarHBondContact O-CB 3.35Å; Q179-A182 PolarHBondContact O-N 3.26Å; Q179-I183 HydrophobicContact CG-CD1 4.14Å; Q179-I183 WeakPolarHBondContact O-CG1 3.25Å; Q179-I183 PolarHBondContact O-N 3.3Å |
| 180 | A | 97.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62 | -41.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | C143 L155 C174 S176 L177 I183 C184 | C143-A180 HydrophobicContact CB-CB 4.48Å; C143-A180 WeakPolarHBondContact SG-CB 3.3Å; L155-A180 HydrophobicContact CD2-CB 4.11Å; L155-A180 HydrophobicContact CG-CB 4.37Å; C174-A180 HydrophobicContact CB-CB 3.92Å; S176-A180 PolarHBondContact O-N 2.98Å; S176-A180 VanDerWaalsContact O-N 3.13Å; L177-A180 PolarHBondContact O-N 3.18Å; A180-I183 PolarHBondContact O-N 2.7Å; A180-C184 PolarHBondContact O-N 2.99Å; A180-C184 PolarHBondContact O-SG 3.47Å |
| 181 | Q | 96.3 | Very high | 96.1 | Very high | 112 Ų | 112 | 47.2 Ų | 47.2 | 52% | 0.523 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.9 | -39.3 | 174.2 | -72 | 175.4 | -21.4 | 0 | 0 | 112.4 | L177 E178 Q179 C184 K185 | L177-Q181 HydrophobicContact CD1-CG 4.17Å; L177-Q181 HydrophobicContact CG-CG 4.37Å; L177-Q181 WeakPolarHBondContact O-CB 3.35Å; L177-Q181 VanDerWaalsContact O-CG 3.31Å; L177-Q181 WeakPolarHBondContact O-CG 3.34Å; L177-Q181 PolarHBondContact O-N 3.15Å; E178-Q181 PolarHBondContact O-N 3.03Å; Q179-Q181 VanDerWaalsContact C-N 3.33Å; Q179-Q181 PolarHBondContact O-N 3.06Å; Q181-C184 PolarHBondContact O-N 2.96Å; Q181-K185 WeakPolarHBondContact O-CB 3.43Å; Q181-K185 PolarHBondContact O-N 3.18Å |
| 182 | A | 96.5 | Very high | 95.8 | Very high | 36 Ų | 36 | 52 Ų | 52 | 30% | 0.298 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | F63 E178 Q179 K185 V186 | F63-A182 HydrophobicContact CE1-CB 3.96Å; F63-A182 HydrophobicContact CZ-CB 4.25Å; E178-A182 WeakPolarHBondContact O-CB 3.35Å; E178-A182 PolarHBondContact O-N 2.9Å; Q179-A182 WeakPolarHBondContact O-CB 3.35Å; Q179-A182 PolarHBondContact O-N 3.26Å; A182-K185 PolarHBondContact O-N 3.24Å; A182-V186 WeakPolarHBondContact O-CG2 3.4Å; A182-V186 PolarHBondContact O-N 2.83Å |
| 183 | I | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.5 | -49.4 | 175 | -69.2 | 163.8 | 0 | 0 | 0 | 110.6 | F63 V65 M112 V114 M141 L155 Q179 A180 K185 V186 L187 | F63-I183 HydrophobicContact CB-CD1 3.87Å; F63-I183 HydrophobicContact CB-CG1 4.1Å; F63-I183 HydrophobicContact CD1-CD1 4.26Å; F63-I183 HydrophobicContact CD1-CG1 3.81Å; F63-I183 HydrophobicContact CD2-CD1 4.15Å; F63-I183 HydrophobicContact CD2-CG1 3.43Å; F63-I183 VanDerWaalsContact CD2-CG1 3.43Å; F63-I183 HydrophobicContact CE1-CG1 4.01Å; F63-I183 HydrophobicContact CE2-CB 4.5Å; F63-I183 HydrophobicContact CE2-CG1 3.64Å; F63-I183 HydrophobicContact CG-CD1 3.84Å; F63-I183 HydrophobicContact CG-CG1 3.49Å; F63-I183 VanDerWaalsContact CG-CG1 3.49Å; F63-I183 HydrophobicContact CZ-CG1 3.93Å; V65-I183 HydrophobicContact CG1-CD1 4.11Å; M112-I183 HydrophobicContact SD-CD1 4.26Å; M112-I183 HydrophobicContact SD-CG2 4.1Å; V114-I183 HydrophobicContact CG2-CG2 4.09Å; M141-I183 HydrophobicContact CE-CG2 3.71Å; M141-I183 HydrophobicContact SD-CG2 4.2Å; L155-I183 HydrophobicContact CD1-CB 4.1Å; L155-I183 HydrophobicContact CD1-CD1 3.65Å; L155-I183 HydrophobicContact CD1-CG1 4.47Å; L155-I183 HydrophobicContact CD1-CG2 3.7Å; Q179-I183 HydrophobicContact CG-CD1 4.14Å; Q179-I183 WeakPolarHBondContact O-CG1 3.25Å; Q179-I183 PolarHBondContact O-N 3.3Å; A180-I183 PolarHBondContact O-N 2.7Å; I183-K185 VanDerWaalsContact C-N 3.33Å; I183-K185 PolarHBondContact O-N 3.31Å; I183-V186 PolarHBondContact O-N 2.81Å; I183-L187 PolarHBondContact O-N 3.27Å |
| 184 | C | 96.5 | Very high | 94.9 | Very high | 28 Ų | 28 | 57.5 Ų | 57.5 | 19% | 0.189 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.4 | -44 | 175.1 | -70.9 | 0 | 0 | 0 | 0 | 112.3 | M141 A180 Q181 L187 S188 | M141-C184 HydrophobicContact CE-CB 4.17Å; A180-C184 PolarHBondContact O-N 2.99Å; A180-C184 PolarHBondContact O-SG 3.47Å; Q181-C184 PolarHBondContact O-N 2.96Å; C184-L187 PolarHBondContact O-N 2.95Å; C184-S188 PolarHBondContact O-N 3.48Å; C184-S188 PolarHBondContact O-OG 3.38Å |
| 185 | K | 96.1 | Very high | 94.3 | Very high | 154 Ų | 154 | 63.6 Ų | 63.6 | 67% | 0.67 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -64.6 | -41.8 | -179.7 | -175.8 | 179.7 | 179.8 | -179.2 | 0 | 112.7 | Q181 A182 I183 S188 T189 | Q181-K185 WeakPolarHBondContact O-CB 3.43Å; Q181-K185 PolarHBondContact O-N 3.18Å; A182-K185 PolarHBondContact O-N 3.24Å; I183-K185 VanDerWaalsContact C-N 3.33Å; I183-K185 PolarHBondContact O-N 3.31Å; K185-S188 PolarHBondContact O-N 3.48Å; K185-T189 PolarHBondContact O-N 2.9Å; K185-T189 PolarHBondContact O-OG1 2.7Å |
| 186 | V | 96.1 | Very high | 93.5 | Very high | 29 Ų | 29 | 65.9 Ų | 65.9 | 18% | 0.176 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.8 | -42.7 | 176.6 | 176.5 | 0 | 0 | 0 | 0 | 109.9 | A61 F63 V114 A182 I183 T189 A190 | A61-V186 HydrophobicContact CB-CG1 4.2Å; A61-V186 HydrophobicContact CB-CG2 4.01Å; F63-V186 HydrophobicContact CZ-CG2 4.3Å; V114-V186 HydrophobicContact CB-CB 4.49Å; V114-V186 HydrophobicContact CB-CG1 3.9Å; V114-V186 HydrophobicContact CG1-CB 4.26Å; V114-V186 HydrophobicContact CG1-CG1 3.76Å; A182-V186 WeakPolarHBondContact O-CG2 3.4Å; A182-V186 PolarHBondContact O-N 2.83Å; I183-V186 PolarHBondContact O-N 2.81Å; V186-T189 PolarHBondContact O-N 3.01Å; V186-A190 WeakPolarHBondContact O-CB 3.48Å; V186-A190 PolarHBondContact O-N 3.43Å |
| 187 | L | 95.9 | Very high | 91.8 | Very high | 7 Ų | 7 | 67.9 Ų | 67.9 | 4% | 0.037 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 176.9 | -174.1 | 66 | 0 | 0 | 0 | 112.2 | V114 I119 L135 I138 M141 I183 C184 A190 F191 | V114-L187 HydrophobicContact CG1-CB 4.09Å; V114-L187 HydrophobicContact CG1-CD1 4.2Å; I119-L187 HydrophobicContact CD1-CD1 4.36Å; I119-L187 HydrophobicContact CD1-CD2 4.25Å; I119-L187 HydrophobicContact CG1-CD1 4.28Å; L135-L187 HydrophobicContact CD1-CD1 3.62Å; I138-L187 HydrophobicContact CD1-CD1 4.22Å; I138-L187 HydrophobicContact CG2-CD2 4.47Å; M141-L187 HydrophobicContact CB-CD2 3.84Å; M141-L187 HydrophobicContact CE-CB 3.92Å; M141-L187 HydrophobicContact CE-CD2 3.4Å; M141-L187 VanDerWaalsContact CE-CD2 3.4Å; M141-L187 HydrophobicContact CE-CG 4.31Å; M141-L187 HydrophobicContact CG-CD2 4.47Å; M141-L187 HydrophobicContact SD-CD2 3.79Å; I183-L187 PolarHBondContact O-N 3.27Å; C184-L187 PolarHBondContact O-N 2.95Å; L187-A190 WeakPolarHBondContact O-CB 3.37Å; L187-A190 PolarHBondContact O-N 3.37Å; L187-F191 HydrophobicContact CD1-CD2 4.41Å; L187-F191 HydrophobicContact CD1-CE2 3.95Å; L187-F191 HydrophobicContact CD2-CE2 4.03Å; L187-F191 HydrophobicContact CG-CD2 4.04Å; L187-F191 HydrophobicContact CG-CE2 3.68Å; L187-F191 VanDerWaalsContact O-CD2 3.25Å; L187-F191 WeakPolarHBondContact O-CD2 3.45Å; L187-F191 PolarHBondContact O-N 2.98Å |
| 188 | S | 94.9 | Very high | 89.7 | Confident | 66 Ų | 66 | 72.2 Ų | 72.2 | 46% | 0.462 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.5 | -46.8 | 173.7 | -67.1 | 0 | 0 | 0 | 0 | 111.7 | C184 K185 A190 F191 D192 | C184-S188 PolarHBondContact O-N 3.48Å; C184-S188 PolarHBondContact O-OG 3.38Å; K185-S188 PolarHBondContact O-N 3.48Å; S188-A190 PolarHBondContact O-N 3.48Å; S188-F191 PolarHBondContact O-N 2.75Å; S188-D192 PolarHBondContact O-N 3.11Å |
| 189 | T | 93.8 | Very high | 87.5 | Confident | 61 Ų | 61 | 73.9 Ų | 73.9 | 37% | 0.374 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.2 | -37.5 | 175.4 | -52.1 | 0 | 0 | 0 | 0 | 111.8 | K185 V186 D192 S193 | K185-T189 PolarHBondContact O-N 2.9Å; K185-T189 PolarHBondContact O-OG1 2.7Å; V186-T189 PolarHBondContact O-N 3.01Å; T189-D192 PolarHBondContact O-N 3.3Å; T189-S193 VanDerWaalsContact O-CB 3.29Å; T189-S193 WeakPolarHBondContact O-CB 3.35Å; T189-S193 PolarHBondContact O-N 2.91Å |
| 190 | A | 92.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | L135 V186 L187 S188 S193 V194 | L135-A190 HydrophobicContact CD1-CB 4.42Å; L135-A190 HydrophobicContact CD2-CB 4.45Å; V186-A190 WeakPolarHBondContact O-CB 3.48Å; V186-A190 PolarHBondContact O-N 3.43Å; L187-A190 WeakPolarHBondContact O-CB 3.37Å; L187-A190 PolarHBondContact O-N 3.37Å; S188-A190 PolarHBondContact O-N 3.48Å; A190-S193 PolarHBondContact O-N 3.31Å; A190-V194 WeakPolarHBondContact O-CG2 3.29Å; A190-V194 PolarHBondContact O-N 2.82Å |
| 191 | F | 93.5 | Very high | 84.1 | Confident | 70 Ų | 70 | 85.1 Ų | 85.1 | 31% | 0.307 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.6 | -48.3 | 173.5 | -77.4 | -63.4 | 0 | 0 | 0 | 111.9 | L135 I138 L187 S188 S193 V194 L195 | L135-F191 HydrophobicContact CD1-CD1 3.87Å; L135-F191 HydrophobicContact CD1-CD2 4.29Å; L135-F191 HydrophobicContact CD1-CE1 3.58Å; L135-F191 HydrophobicContact CD1-CE2 4.04Å; L135-F191 HydrophobicContact CD1-CG 4.22Å; L135-F191 HydrophobicContact CD1-CZ 3.68Å; L135-F191 HydrophobicContact CD2-CD1 4.15Å; L135-F191 HydrophobicContact CD2-CE1 4.42Å; L135-F191 HydrophobicContact CG-CD1 3.86Å; L135-F191 HydrophobicContact CG-CE1 3.64Å; L135-F191 HydrophobicContact CG-CZ 4.23Å; I138-F191 HydrophobicContact CB-CZ 4.03Å; I138-F191 HydrophobicContact CG2-CE2 4.41Å; I138-F191 HydrophobicContact CG2-CZ 3.94Å; L187-F191 HydrophobicContact CD1-CD2 4.41Å; L187-F191 HydrophobicContact CD1-CE2 3.95Å; L187-F191 HydrophobicContact CD2-CE2 4.03Å; L187-F191 HydrophobicContact CG-CD2 4.04Å; L187-F191 HydrophobicContact CG-CE2 3.68Å; L187-F191 VanDerWaalsContact O-CD2 3.25Å; L187-F191 WeakPolarHBondContact O-CD2 3.45Å; L187-F191 PolarHBondContact O-N 2.98Å; S188-F191 PolarHBondContact O-N 2.75Å; F191-S193 VanDerWaalsContact C-N 3.31Å; F191-S193 PolarHBondContact O-N 3.42Å; F191-V194 PolarHBondContact O-N 2.74Å; F191-L195 WeakPolarHBondContact O-CG 3.42Å; F191-L195 PolarHBondContact O-N 3.44Å; F191-L195 VanDerWaalsContact O-N 3.11Å |
| 192 | D | 91.9 | Very high | 83.5 | Confident | 99 Ų | 99 | 83.7 Ų | 83.7 | 53% | 0.529 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.8 | -41 | 179.5 | -68.2 | -24.5 | 0 | 0 | 0 | 111.5 | S188 T189 V194 L195 M196 | S188-D192 PolarHBondContact O-N 3.11Å; T189-D192 PolarHBondContact O-N 3.3Å; D192-V194 PolarHBondContact O-N 2.84Å; D192-L195 PolarHBondContact O-N 2.94Å; D192-M196 WeakPolarHBondContact O-CB 3.37Å; D192-M196 WeakPolarHBondContact O-CG 3.18Å; D192-M196 PolarHBondContact O-N 2.75Å |
| 193 | S | 89.2 | Confident | 82.7 | Confident | 61 Ų | 61 | 86.3 Ų | 86.3 | 43% | 0.427 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.1 | -39.1 | 179.3 | -177.6 | 0 | 0 | 0 | 0 | 112.8 | T189 A190 F191 S197 | T189-S193 VanDerWaalsContact O-CB 3.29Å; T189-S193 WeakPolarHBondContact O-CB 3.35Å; T189-S193 PolarHBondContact O-N 2.91Å; A190-S193 PolarHBondContact O-N 3.31Å; F191-S193 VanDerWaalsContact C-N 3.31Å; F191-S193 PolarHBondContact O-N 3.42Å; S193-S197 PolarHBondContact O-N 3.49Å |
| 194 | V | 88 | Confident | 81.9 | Confident | 76 Ų | 76 | 91.4 Ų | 91.4 | 46% | 0.461 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.8 | -38.4 | 179.5 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | L135 A190 F191 D192 S197 | L135-V194 HydrophobicContact CD2-CB 4.49Å; L135-V194 HydrophobicContact CD2-CG2 3.84Å; A190-V194 WeakPolarHBondContact O-CG2 3.29Å; A190-V194 PolarHBondContact O-N 2.82Å; F191-V194 PolarHBondContact O-N 2.74Å; D192-V194 PolarHBondContact O-N 2.84Å; V194-S197 PolarHBondContact O-N 2.96Å |
| 195 | L | 85.4 | Confident | 81 | Confident | 128 Ų | 128 | 95.4 Ų | 95.4 | 67% | 0.67 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.8 | -34.4 | 177.4 | -68.7 | 171.1 | 0 | 0 | 0 | 113.2 | F191 D192 | F191-L195 WeakPolarHBondContact O-CG 3.42Å; F191-L195 PolarHBondContact O-N 3.44Å; F191-L195 VanDerWaalsContact O-N 3.11Å; D192-L195 PolarHBondContact O-N 2.94Å |
| 196 | M | 78 | Confident | 80 | Confident | 129 Ų | 129 | 91.5 Ų | 91.5 | 64% | 0.635 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -82.9 | -13.3 | -179.4 | -66.4 | -64.4 | -67.7 | 0 | 0 | 113.4 | D192 E198 K199 | D192-M196 WeakPolarHBondContact O-CB 3.37Å; D192-M196 WeakPolarHBondContact O-CG 3.18Å; D192-M196 PolarHBondContact O-N 2.75Å; M196-E198 PolarHBondContact O-N 2.82Å; M196-K199 PolarHBondContact O-N 3.39Å |
| 197 | S | 59.5 | Low | 78.8 | Confident | 94 Ų | 94 | 95.9 Ų | 95.9 | 66% | 0.657 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -69.6 | -16 | -178.6 | -171 | 0 | 0 | 0 | 0 | 113.9 | S193 V194 K199 | S193-S197 PolarHBondContact O-N 3.49Å; V194-S197 PolarHBondContact O-N 2.96Å; S197-K199 VanDerWaalsContact C-N 3.27Å; S197-K199 PolarHBondContact O-N 2.86Å |
| 198 | E | 52.7 | Low | 77.5 | Confident | 184 Ų | 184 | 102.8 Ų | 102.8 | 86% | 0.86 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -81.9 | 0.8 | 179.5 | -67 | -169.4 | 152 | 0 | 0 | 114 | M196 | M196-E198 PolarHBondContact O-N 2.82Š|
| 199 | K | 48.8 | Very low | 76 | Confident | 188 Ų | 188 | 105.8 Ų | 105.8 | 82% | 0.817 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -104.3 | 15.7 | -173.1 | -119.3 | 178 | -173.8 | 174.5 | 0 | 115.5 | M196 S197 | M196-K199 PolarHBondContact O-N 3.39Å; S197-K199 VanDerWaalsContact C-N 3.27Å; S197-K199 PolarHBondContact O-N 2.86Å |
| 200 | S | 39.1 | Very low | 74.4 | Confident | 180 Ų | 180 | 109.9 Ų | 109.9 | 100% | 1.259 | 60% | 0.602 | S | S | * | * | trans | -118.6 | 0 | 179.5 | -171.3 | 0 | 0 | 0 | 0 | 113.8 |
Retrieved 200 of 200 residues in 107.2 ms
(Link to these results)