| 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 | 46.8 | Very low | 45.9 | Very low | 247 Ų | 247 | 184.5 Ų | 184.5 | 100% | 1.217 | 88% | 0.875 | S | S | * | * | 0 | 154.7 | 0 | -78.8 | 174.7 | 163 | 0 | 0 | 109.4 | |||||
| 2 | F | 45.9 | Very low | 45.4 | Very low | 202 Ų | 202 | 177.7 Ų | 177.7 | 89% | 0.886 | 86% | 0.862 | S | S | * | * | trans | -111.8 | 148.8 | -178.7 | -66.1 | -90 | 0 | 0 | 0 | 112.4 | ||||
| 3 | R | 55.1 | Low | 45 | Very low | 255 Ų | 255 | 171.9 Ų | 171.9 | 96% | 0.962 | 85% | 0.851 | S | S | * | * | trans | -163.2 | 152.9 | 133.7 | -105.2 | 161 | -169.5 | -171 | 2.8 | 110.5 | ||||
| 4 | K | 51.1 | Low | 44.8 | Very low | 191 Ų | 191 | 167 Ų | 167 | 83% | 0.83 | 84% | 0.842 | S | S | * | * | trans | -159.3 | 118 | -161.3 | 171.2 | -174.9 | 176.4 | 175.9 | 0 | 112.8 | ||||
| 5 | V | 43.3 | Very low | 44.5 | Very low | 141 Ų | 141 | 167.5 Ų | 167.5 | 86% | 0.855 | 84% | 0.84 | S | S | * | * | trans | -149 | 136.8 | 165.5 | -177.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 6 | K | 43.7 | Very low | 43.9 | Very low | 175 Ų | 175 | 163.3 Ų | 163.3 | 76% | 0.761 | 83% | 0.832 | S | S | * | * | cis | 109.6 | 92.1 | 0.4 | -164 | -173.5 | 176.7 | -174.9 | 0 | 116.2 | ||||
| 7 | K | 43.2 | Very low | 43.8 | Very low | 173 Ų | 173 | 159.8 Ų | 159.8 | 75% | 0.752 | 83% | 0.825 | S | S | * | * | trans | 73.9 | 159.4 | 164.6 | -83.5 | -166.7 | 173.9 | -168.8 | 0 | 115.9 | ||||
| 8 | R | 43.1 | Very low | 43.5 | Very low | 238 Ų | 238 | 160 Ų | 160 | 90% | 0.898 | 82% | 0.822 | S | S | * | * | cis | -130.7 | 164.9 | 27.2 | -64.3 | 174.1 | 175.9 | 176.8 | -2.4 | 115.2 | ||||
| 9 | H | 53.1 | Low | 43.2 | Very low | 162 Ų | 162 | 159.4 Ų | 159.4 | 75% | 0.75 | 82% | 0.819 | S | S | * | * | trans | -94 | 158.5 | 160.8 | -48 | -104.9 | 0 | 0 | 0 | 109.4 | ||||
| 10 | S | 40.2 | Very low | 43.1 | Very low | 125 Ų | 125 | 156.5 Ų | 156.5 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | -140.2 | 144.9 | 162.7 | -65.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 11 | S | 39.1 | Very low | 42.9 | Very low | 120 Ų | 120 | 156.1 Ų | 156.1 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | trans | -151.7 | 123.1 | -175.2 | 54.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 12 | S | 40.7 | Very low | 42.8 | Very low | 103 Ų | 103 | 153 Ų | 153 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | trans | -165.6 | 138.6 | 159.4 | -166.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 13 | S | 40.3 | Very low | 42.7 | Very low | 103 Ų | 103 | 149.3 Ų | 149.3 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | cis | 81.5 | 146.5 | 26.4 | 85.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 14 | S | 42.1 | Very low | 41.9 | Very low | 103 Ų | 103 | 145.9 Ų | 145.9 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | trans | 80.6 | 144.8 | -174.9 | -56.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 15 | Q | 39.8 | Very low | 41.3 | Very low | 174 Ų | 174 | 142.3 Ų | 142.3 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | cis | -168.9 | 169.5 | -29.2 | -126.3 | 166.4 | -15.4 | 0 | 0 | 110 | ||||
| 16 | S | 35.2 | Very low | 41.4 | Very low | 101 Ų | 101 | 142.7 Ų | 142.7 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | -18 | 161.1 | 160.9 | 46.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 17 | S | 42.3 | Very low | 41 | Very low | 104 Ų | 104 | 141.7 Ų | 141.7 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | cis | -156.6 | -169.6 | 18.9 | 21.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 18 | E | 37.5 | Very low | 41 | Very low | 163 Ų | 163 | 138 Ų | 138 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | cis | -169.3 | 159.1 | 48.3 | -71 | -171.7 | 101.7 | 0 | 0 | 115.5 | ||||
| 19 | I | 38.8 | Very low | 40.9 | Very low | 148 Ų | 148 | 132.6 Ų | 132.6 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | trans | 45.6 | 107.1 | 140.8 | -139.8 | 159.7 | 0 | 0 | 0 | 119.6 | ||||
| 20 | S | 40.9 | Very low | 40.8 | Very low | 102 Ų | 102 | 133.7 Ų | 133.7 | 71% | 0.713 | 80% | 0.799 | S | S | * | * | 76.5 | 118.1 | 69.7 | -169.5 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 21 | T | 39.8 | Very low | 40.8 | Very low | 149 Ų | 149 | 131.6 Ų | 131.6 | 91% | 0.914 | 80% | 0.796 | S | S | * | * | trans | -155.2 | 139.1 | 139.6 | -0.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 22 | K | 42.8 | Very low | 41 | Very low | 180 Ų | 180 | 129.1 Ų | 129.1 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 119.9 | -170.6 | 172 | -176.2 | -173.9 | 170.8 | 0 | 113.5 | ||
| 23 | S | 44.2 | Very low | 41 | Very low | 125 Ų | 125 | 133 Ų | 133 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 143.3 | 162.8 | -66.5 | 0 | 0 | 0 | 0 | 111.1 | ||
| 24 | K | 39.7 | Very low | 41.2 | Very low | 183 Ų | 183 | 133.5 Ų | 133.5 | 80% | 0.796 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 157 | -174.9 | -73.3 | -178 | 178.7 | 178 | 0 | 112.9 | ||
| 25 | S | 37.9 | Very low | 41.5 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 148.9 | 164.5 | 49.8 | 0 | 0 | 0 | 0 | 112.7 | ||
| 26 | V | 44.8 | Very low | 41.9 | Very low | 148 Ų | 148 | 137.7 Ų | 137.7 | 90% | 0.897 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -93 | 144.7 | 161.2 | -76.3 | 0 | 0 | 0 | 0 | 110.1 | ||
| 27 | D | 34.9 | Very low | 42.6 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 83% | 0.829 | 82% | 0.823 | S | S | * | * | trans | -137.5 | 161.7 | 167.3 | -169.2 | 12.4 | 0 | 0 | 0 | 109 | ||||
| 28 | S | 43.3 | Very low | 43 | Very low | 94 Ų | 94 | 140 Ų | 140 | 66% | 0.657 | 83% | 0.826 | S | S | * | * | trans | -74.8 | 168.3 | -168.6 | 60.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 29 | S | 42.3 | Very low | 43.6 | Very low | 126 Ų | 126 | 139 Ų | 139 | 88% | 0.881 | 83% | 0.831 | S | S | * | * | trans | -152.2 | 150.6 | 161.1 | -79.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 30 | L | 50.3 | Low | 43.6 | Very low | 185 Ų | 185 | 136.1 Ų | 136.1 | 97% | 0.969 | 83% | 0.83 | S | S | * | * | trans | -101.7 | 148.2 | -165.8 | -72.3 | 157.8 | 0 | 0 | 0 | 113 | ||||
| 31 | G | 40.8 | Very low | 43.9 | Very low | 80 Ų | 80 | 136.3 Ų | 136.3 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | trans | 142.7 | 138.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 32 | G | 43.1 | Very low | 44.4 | Very low | 69 Ų | 69 | 137.1 Ų | 137.1 | 71% | 0.711 | 83% | 0.829 | S | S | * | * | cis | 166.3 | 160 | -7.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 33 | L | 39.2 | Very low | 44.6 | Very low | 184 Ų | 184 | 135.6 Ų | 135.6 | 96% | 0.963 | 83% | 0.829 | S | S | * | * | trans | 71.6 | 136.3 | 174.4 | -50.5 | 179.3 | 0 | 0 | 0 | 116.9 | ||||
| 34 | S | 44.7 | Very low | 45.2 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 79% | 0.79 | 82% | 0.824 | S | S | * | * | trans | -110.2 | 164.6 | -176.4 | 41.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 35 | R | 49.7 | Very low | 45.3 | Very low | 249 Ų | 249 | 133.2 Ų | 133.2 | 94% | 0.94 | 82% | 0.82 | S | S | * | * | -173.3 | 141.1 | 129.5 | -104.1 | 163.5 | 179.1 | -151.9 | -4.2 | 112.9 | |||||
| 36 | S | 47.2 | Very low | 45.8 | Very low | 116 Ų | 116 | 133 Ų | 133 | 81% | 0.811 | 82% | 0.818 | S | S | * | * | trans | -83.5 | 157 | 174.3 | -42.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 37 | S | 49.5 | Very low | 45.9 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | trans | -133.7 | 151.6 | 146.9 | 57.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 38 | T | 52.5 | Low | 46.2 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | trans | -125 | 137.2 | -166.5 | -45.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 39 | V | 48.7 | Very low | 46.3 | Very low | 143 Ų | 143 | 133.7 Ų | 133.7 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | trans | -165.6 | 144.5 | 142.5 | -103.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 40 | A | 39.6 | Very low | 46.3 | Very low | 88 Ų | 88 | 133.9 Ų | 133.9 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | 56.2 | 92.7 | 144.2 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 41 | S | 47 | Very low | 45.6 | Very low | 105 Ų | 105 | 127.9 Ų | 127.9 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | 25.7 | 134.9 | 119.4 | -50.2 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 42 | L | 50.1 | Low | 45.8 | Very low | 167 Ų | 167 | 131 Ų | 131 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | -151.9 | 124.8 | 119.9 | -112 | 168.9 | 0 | 0 | 0 | 109.9 | |||||
| 43 | D | 46.6 | Very low | 45.6 | Very low | 147 Ų | 147 | 133.2 Ų | 133.2 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | trans | -82.3 | 126.5 | 179.6 | -59.2 | -92.4 | 0 | 0 | 0 | 111.3 | ||||
| 44 | T | 57.2 | Low | 45.7 | Very low | 127 Ų | 127 | 128.3 Ų | 128.3 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | -128.5 | 100.7 | 161.5 | 53.7 | 0 | 0 | 0 | 0 | 109.1 | S46 | T44-S46 PolarHBondContact O-N 3.13Š| ||
| 45 | D | 42 | Very low | 45.6 | Very low | 131 Ų | 131 | 126.7 Ų | 126.7 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | -61 | 132.9 | 168.5 | 178 | 23.1 | 0 | 0 | 0 | 109.8 | T47 | D45-T47 WeakPolarHBondContact OD1-CB 3.27Å; D45-T47 PolarHBondContact OD1-N 2.59Å; D45-T47 PolarHBondContact OD1-OG1 2.82Å | ||
| 46 | S | 47.4 | Very low | 45.4 | Very low | 112 Ų | 112 | 120 Ų | 120 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | trans | -148.9 | 38.6 | 168.3 | -73.5 | 0 | 0 | 0 | 0 | 110.2 | T44 K48 | T44-S46 PolarHBondContact O-N 3.13Å; S46-K48 VanDerWaalsContact C-N 3.28Å; S46-K48 PolarHBondContact O-N 2.76Å | ||
| 47 | T | 47 | Very low | 45.8 | Very low | 117 Ų | 117 | 120.4 Ų | 120.4 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | trans | -77.7 | 72.8 | 173.9 | 53.7 | 0 | 0 | 0 | 0 | 111.9 | D45 | D45-T47 WeakPolarHBondContact OD1-CB 3.27Å; D45-T47 PolarHBondContact OD1-N 2.59Å; D45-T47 PolarHBondContact OD1-OG1 2.82Å | ||
| 48 | K | 42.7 | Very low | 46.6 | Very low | 193 Ų | 193 | 117.9 Ų | 117.9 | 84% | 0.839 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -152.4 | 122.2 | 160.2 | -112.3 | 138.9 | -168.4 | 167.4 | 0 | 114.4 | S46 | S46-K48 VanDerWaalsContact C-N 3.28Å; S46-K48 PolarHBondContact O-N 2.76Å |
| 49 | S | 45.8 | Very low | 48.3 | Very low | 102 Ų | 102 | 115.5 Ų | 115.5 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | trans | 42.5 | 104.3 | 159.8 | 55.2 | 0 | 0 | 0 | 0 | 116.8 | G51 | S49-G51 PolarHBondContact O-N 3.21Š| ||
| 50 | S | 41.3 | Very low | 50.5 | Low | 131 Ų | 131 | 110 Ų | 110 | 92% | 0.916 | 70% | 0.696 | S | S | * | * | trans | -59 | 77.9 | 142.9 | 53.2 | 0 | 0 | 0 | 0 | 109.1 | N52 | S50-N52 PolarHBondContact O-N 3.13Å; S50-N52 VanDerWaalsContact O-N 3.13Å | ||
| 51 | G | 36.3 | Very low | 53.3 | Low | 58 Ų | 58 | 110.1 Ų | 110.1 | 60% | 0.598 | 68% | 0.681 | S | S | * | * | trans | -71.5 | 104.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111 | S49 S53 | S49-G51 PolarHBondContact O-N 3.21Å; G51-S53 PolarHBondContact O-N 3.4Å | ||
| 52 | N | 45.3 | Very low | 55.7 | Low | 147 Ų | 147 | 106.6 Ų | 106.6 | 79% | 0.786 | 65% | 0.653 | S | S | * | * | trans | 20.5 | 85.7 | 154.6 | -157.8 | 70.3 | 0 | 0 | 0 | 115.1 | S50 A54 | S50-N52 PolarHBondContact O-N 3.13Å; S50-N52 VanDerWaalsContact O-N 3.13Å; N52-A54 PolarHBondContact O-N 2.76Å | ||
| 53 | S | 37.8 | Very low | 58 | Low | 115 Ų | 115 | 105.7 Ų | 105.7 | 80% | 0.804 | 64% | 0.638 | S | S | * | * | trans | -68.1 | 79.1 | 174.4 | 57.8 | 0 | 0 | 0 | 0 | 110.3 | G51 A55 | G51-S53 PolarHBondContact O-N 3.4Å; S53-A55 PolarHBondContact O-N 3.22Å; S53-A55 VanDerWaalsContact O-N 3.09Å | ||
| 54 | A | 41.5 | Very low | 60.4 | Low | 81 Ų | 81 | 98.8 Ų | 98.8 | 67% | 0.669 | 60% | 0.601 | S | S | * | * | trans | -58.6 | 113 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | N52 | N52-A54 PolarHBondContact O-N 2.76Š| ||
| 55 | A | 43.4 | Very low | 62.3 | Low | 79 Ų | 79 | 94.2 Ų | 94.2 | 65% | 0.653 | 57% | 0.571 | S | S | * | * | trans | 30.5 | 85.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | S53 E57 | S53-A55 PolarHBondContact O-N 3.22Å; S53-A55 VanDerWaalsContact O-N 3.09Å; A55-E57 PolarHBondContact O-N 2.98Å | ||
| 56 | S | 45.4 | Very low | 65 | Low | 108 Ų | 108 | 91.1 Ų | 91.1 | 76% | 0.755 | 55% | 0.549 | S | S | * | . | trans | -48 | 109.2 | 164.8 | 175.9 | 0 | 0 | 0 | 0 | 108.8 | T58 | S56-T58 PolarHBondContact O-N 3.46Š| ||
| 57 | E | 53.8 | Low | 67.4 | Low | 124 Ų | 124 | 86.2 Ų | 86.2 | 58% | 0.579 | 52% | 0.515 | S | S | * | . | trans | -63.3 | 115.6 | -166.3 | -58.3 | -153.8 | 116.7 | 0 | 0 | 110 | A55 C59 K115 | A55-E57 PolarHBondContact O-N 2.98Å; E57-C59 PolarHBondContact O-N 2.71Å; E57-K115 WeakPolarHBondContact OE1-CE 3.25Å; E57-K115 IonicContact OE1-NZ 2.62Å; E57-K115 PolarHBondContact OE1-NZ 2.86Å | ||
| 58 | T | 67.9 | Low | 69.8 | Low | 71 Ų | 71 | 81.1 Ų | 81.1 | 44% | 0.436 | 49% | 0.486 | S | S | . | . | trans | -77.8 | 59.1 | -175.3 | 52 | 0 | 0 | 0 | 0 | 111.3 | S56 | S56-T58 PolarHBondContact O-N 3.46Š| ||
| 59 | C | 87.1 | Confident | 72.4 | Confident | 79 Ų | 79 | 73.3 Ų | 73.3 | 53% | 0.534 | 46% | 0.457 | S | S | . | . | trans | -86.3 | 124.5 | 168.1 | -165.5 | 0 | 0 | 0 | 0 | 108.9 | E57 V113 | E57-C59 PolarHBondContact O-N 2.71Å; C59-V113 WeakPolarHBondContact CA-O 3.28Å | ||
| 60 | A | 95.9 | Very high | 74.7 | Confident | 28 Ų | 28 | 69.4 Ų | 69.4 | 23% | 0.231 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 132.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110 | F62 G112 V113 V185 | A60-F62 HydrophobicContact CB-CE2 3.61Å; A60-F62 HydrophobicContact CB-CZ 3.85Å; A60-G112 CarbonylContact O-C 3.58Å; A60-G112 WeakPolarHBondContact O-CA 3.41Å; A60-V113 PolarHBondContact N-O 2.84Å; A60-V113 PolarHBondContact O-N 3.3Å; A60-V185 HydrophobicContact CB-CG1 4.14Å; A60-V185 HydrophobicContact CB-CG2 4.09Å |
| 61 | E | 97.1 | Very high | 77.2 | Confident | 90 Ų | 90 | 67.9 Ų | 67.9 | 42% | 0.421 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 135 | -179 | -59.1 | -158.1 | 137.7 | 0 | 0 | 111.3 | V110 K119 Q125 | E61-V110 HydrophobicContact CB-CG1 3.92Å; E61-V110 HydrophobicContact CG-CG1 4.24Å; E61-K119 WeakPolarHBondContact OE1-CE 3.42Å; E61-K119 IonicContact OE1-NZ 2.59Å; E61-K119 PolarHBondContact OE1-NZ 3.03Å; E61-Q125 PolarHBondContact OE2-NE2 2.9Å |
| 62 | F | 97.7 | Very high | 79.7 | Confident | 31 Ų | 31 | 72 Ų | 72 | 14% | 0.136 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 141.6 | -173.5 | -56.6 | -93.5 | 0 | 0 | 0 | 110 | A60 L111 V113 Q178 A181 I182 V185 | A60-F62 HydrophobicContact CB-CE2 3.61Å; A60-F62 HydrophobicContact CB-CZ 3.85Å; F62-L111 PolarHBondContact N-O 2.91Å; F62-L111 PolarHBondContact O-N 2.83Å; F62-V113 HydrophobicContact CD2-CG2 4.4Å; F62-V113 HydrophobicContact CE2-CG2 4.19Å; F62-Q178 HydrophobicContact CD1-CG 3.99Å; F62-A181 HydrophobicContact CE1-CB 3.93Å; F62-A181 HydrophobicContact CZ-CB 4.36Å; F62-I182 HydrophobicContact CB-CD1 3.91Å; F62-I182 HydrophobicContact CB-CG1 4.01Å; F62-I182 HydrophobicContact CD1-CD1 4.14Å; F62-I182 HydrophobicContact CD1-CG1 3.59Å; F62-I182 HydrophobicContact CD2-CD1 4.36Å; F62-I182 HydrophobicContact CD2-CG1 3.53Å; F62-I182 HydrophobicContact CE1-CG1 3.81Å; F62-I182 HydrophobicContact CE2-CB 4.49Å; F62-I182 HydrophobicContact CE2-CG1 3.74Å; F62-I182 HydrophobicContact CG-CD1 3.91Å; F62-I182 HydrophobicContact CG-CG1 3.43Å; F62-I182 VanDerWaalsContact CG-CG1 3.43Å; F62-I182 HydrophobicContact CZ-CG1 3.87Å; F62-V185 HydrophobicContact CZ-CG2 4.21Å |
| 63 | R | 97.9 | Very high | 81.7 | Confident | 149 Ų | 149 | 65.8 Ų | 65.8 | 56% | 0.562 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 122.8 | 171.9 | -57.6 | -179 | -163.8 | -146 | -1.8 | 109.7 | E108 M109 M123 Q178 | R63-E108 WeakPolarHBondContact CD-OE2 3.43Å; R63-M109 WeakPolarHBondContact CA-O 3.27Å; R63-M123 HydrophobicContact CG-CE 4.31Å; R63-M123 HydrophobicContact CG-SD 4.28Å; R63-Q178 PolarHBondContact O-NE2 3.03Å; R63-Q178 PolarHBondContact O-OE1 3.35Å |
| 64 | V | 97.8 | Very high | 84 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.012 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 158.1 | 178.1 | -60.9 | 0 | 0 | 0 | 0 | 109.6 | E108 M109 L111 Y171 I182 | V64-E108 CarbonylContact O-C 3.55Å; V64-E108 WeakPolarHBondContact O-CA 3.18Å; V64-M109 PolarHBondContact N-O 2.81Å; V64-M109 PolarHBondContact O-N 2.82Å; V64-L111 HydrophobicContact CG1-CB 4.31Å; V64-L111 HydrophobicContact CG1-CD1 4.38Å; V64-L111 HydrophobicContact CG2-CB 3.71Å; V64-L111 HydrophobicContact CG2-CD1 4.04Å; V64-Y171 HydrophobicContact CG2-CD1 4.16Å; V64-Y171 HydrophobicContact CG2-CG 4.43Å; V64-I182 HydrophobicContact CG1-CD1 4.11Å |
| 65 | K | 97.9 | Very high | 85.4 | Confident | 31 Ų | 31 | 64 Ų | 64 | 14% | 0.135 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 146 | 166.5 | -70.1 | 179.3 | 158.4 | -170.8 | 0 | 109.5 | P104 G105 E106 E108 Y171 Q172 | K65-P104 HydrophobicContact CB-CB 3.9Å; K65-P104 HydrophobicContact CB-CG 3.76Å; K65-P104 HydrophobicContact CD-CG 4.1Å; K65-G105 VanDerWaalsContact CD-O 3.3Å; K65-G105 WeakPolarHBondContact CD-O 3.33Å; K65-G105 WeakPolarHBondContact CE-O 3.49Å; K65-E106 WeakPolarHBondContact CE-O 3.49Å; K65-E106 IonicContact NZ-OE1 2.77Å; K65-E106 PolarHBondContact NZ-OE1 3.04Å; K65-E106 IonicContact NZ-OE2 2.92Å; K65-E106 PolarHBondContact NZ-OE2 2.93Å; K65-E108 HydrophobicContact CG-CG 4.45Å; K65-Y171 CarbonylContact O-C 3.54Å; K65-Y171 WeakPolarHBondContact O-CA 3.34Å; K65-Q172 HydrophobicContact CB-CB 4.4Å; K65-Q172 PolarHBondContact N-O 3.2Å; K65-Q172 PolarHBondContact O-N 2.95Å |
| 66 | Y | 97.4 | Very high | 87 | Confident | 65 Ų | 65 | 65.7 Ų | 65.7 | 26% | 0.255 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 127.5 | 177 | -180 | -130.3 | 0 | 0 | 0 | 111 | G68 A69 P104 M109 H130 V170 Y171 | Y66-G68 VanDerWaalsContact CE2-C 3.44Å; Y66-G68 VanDerWaalsContact CE2-O 3.22Å; Y66-G68 WeakPolarHBondContact CE2-O 3.32Å; Y66-G68 VanDerWaalsContact CZ-C 3.49Å; Y66-A69 VanDerWaalsContact OH-CB 3.27Å; Y66-A69 WeakPolarHBondContact OH-CB 3.47Å; Y66-A69 PolarHBondContact OH-N 2.87Å; Y66-P104 WeakPolarHBondContact O-CB 3.47Å; Y66-M109 VanDerWaalsContact CB-SD 3.55Å; Y66-M109 HydrophobicContact CG-SD 4.32Å; Y66-H130 AromaticContact CZ-NE2 3.96Å; Y66-V170 WeakPolarHBondContact CD2-O 3.43Å; Y66-Y171 AromaticContact CD2-CD1 3.71Å; Y66-Y171 HydrophobicContact CD2-CD1 3.71Å; Y66-Y171 AromaticContact CD2-CE1 3.5Å; Y66-Y171 HydrophobicContact CD2-CE1 3.5Å; Y66-Y171 VanDerWaalsContact CD2-CE1 3.5Å; Y66-Y171 AromaticContact CE2-CE1 3.99Å; Y66-Y171 HydrophobicContact CE2-CE1 3.99Å; Y66-Y171 HydrophobicContact CG-CE1 4.42Å |
| 67 | V | 97.4 | Very high | 88.3 | Confident | 9 Ų | 9 | 64.1 Ų | 64.1 | 6% | 0.055 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | -44 | 177.9 | -176.9 | 0 | 0 | 0 | 0 | 109.7 | P101 P104 L153 V170 Q172 | V67-P101 HydrophobicContact CG1-CG 3.99Å; V67-P101 VanDerWaalsContact CG1-O 3.24Å; V67-P101 WeakPolarHBondContact CG1-O 3.48Å; V67-P101 WeakPolarHBondContact O-CD 3.34Å; V67-P101 WeakPolarHBondContact O-CG 3.44Å; V67-P104 HydrophobicContact CG2-CB 4Å; V67-P104 HydrophobicContact CG2-CG 4.27Å; V67-L153 HydrophobicContact CG2-CD2 4.05Å; V67-V170 HydrophobicContact CB-CB 4.05Å; V67-V170 HydrophobicContact CB-CG1 3.89Å; V67-V170 WeakPolarHBondContact CB-O 3.19Å; V67-V170 HydrophobicContact CG1-CG1 4.23Å; V67-V170 HydrophobicContact CG2-CG1 4.01Å; V67-V170 PolarHBondContact N-O 3.24Å; V67-Q172 HydrophobicContact CG2-CB 4.09Å |
| 68 | G | 97.3 | Very high | 89.2 | Confident | 11 Ų | 11 | 58.4 Ų | 58.4 | 11% | 0.113 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 152.9 | -170.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y66 V170 | Y66-G68 VanDerWaalsContact CE2-C 3.44Å; Y66-G68 VanDerWaalsContact CE2-O 3.22Å; Y66-G68 WeakPolarHBondContact CE2-O 3.32Å; Y66-G68 VanDerWaalsContact CZ-C 3.49Å; G68-V170 PolarHBondContact N-O 2.9Å; G68-V170 PolarHBondContact O-N 3.03Å |
| 69 | A | 97.4 | Very high | 89.6 | Confident | 28 Ų | 28 | 59 Ų | 59 | 23% | 0.231 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 153.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y66 I168 W169 | Y66-A69 VanDerWaalsContact OH-CB 3.27Å; Y66-A69 WeakPolarHBondContact OH-CB 3.47Å; Y66-A69 PolarHBondContact OH-N 2.87Å; A69-I168 CarbonylContact C-O 3.51Å; A69-I168 WeakPolarHBondContact CA-O 3.32Å; A69-I168 WeakPolarHBondContact CB-O 3.29Å; A69-W169 HydrophobicContact CB-CD2 3.98Å; A69-W169 HydrophobicContact CB-CE3 3.38Å; A69-W169 HydrophobicContact CB-CZ3 3.71Å |
| 70 | I | 95.6 | Very high | 89.3 | Confident | 20 Ų | 20 | 58.9 Ų | 58.9 | 10% | 0.103 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 99.6 | 170.2 | -46.7 | 174.2 | 0 | 0 | 0 | 106.2 | L73 Y90 A94 L100 S167 I168 | I70-L73 HydrophobicContact CB-CD1 4.36Å; I70-L73 HydrophobicContact CG2-CD1 3.9Å; I70-L73 HydrophobicContact CG2-CD2 3.73Å; I70-L73 HydrophobicContact CG2-CG 3.92Å; I70-Y90 HydrophobicContact CD1-CD1 4.22Å; I70-Y90 HydrophobicContact CD1-CE1 3.79Å; I70-Y90 HydrophobicContact CG2-CE1 4.47Å; I70-A94 HydrophobicContact CD1-CB 3.46Å; I70-A94 VanDerWaalsContact CD1-CB 3.46Å; I70-L100 HydrophobicContact CD1-CD1 3.87Å; I70-L100 HydrophobicContact CD1-CG 4.28Å; I70-L100 HydrophobicContact CG1-CD1 3.97Å; I70-L100 HydrophobicContact CG1-CD2 4.26Å; I70-L100 HydrophobicContact CG1-CG 4.06Å; I70-S167 CarbonylContact O-C 3.54Å; I70-S167 VanDerWaalsContact O-CA 3.28Å; I70-S167 WeakPolarHBondContact O-CA 3.48Å; I70-I168 HydrophobicContact CB-CB 4.46Å; I70-I168 PolarHBondContact N-O 3.21Å; I70-I168 PolarHBondContact O-N 2.73Å |
| 71 | E | 93.8 | Very high | 88.7 | Confident | 99 Ų | 99 | 57.9 Ų | 57.9 | 46% | 0.463 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 157.2 | -176.5 | -72.4 | -175.9 | -142.4 | 0 | 0 | 113.2 | L73 S167 W169 | E71-L73 VanDerWaalsContact C-N 3.32Å; E71-L73 PolarHBondContact O-N 2.75Å; E71-S167 WeakPolarHBondContact CA-OG 3.4Å; E71-W169 HydrophobicContact CG-CH2 3.95Å; E71-W169 HydrophobicContact CG-CZ2 4.37Å; E71-W169 HydrophobicContact CG-CZ3 4.49Å |
| 72 | K | 88.1 | Confident | 87.9 | Confident | 144 Ų | 144 | 59.4 Ų | 59.4 | 63% | 0.626 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 57.5 | 43.1 | 167.5 | -61 | 160.1 | -170 | 153.7 | 0 | 112.9 | C166 S167 | K72-C166 PolarHBondContact N-O 2.97Å; K72-S167 PolarHBondContact N-OG 3.2Å |
| 73 | L | 88.4 | Confident | 87.6 | Confident | 17 Ų | 17 | 63.4 Ų | 63.4 | 9% | 0.089 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 126.2 | 170.1 | -65.8 | 174.1 | 0 | 0 | 0 | 109.1 | I70 E71 Y90 D165 C166 I168 | I70-L73 HydrophobicContact CB-CD1 4.36Å; I70-L73 HydrophobicContact CG2-CD1 3.9Å; I70-L73 HydrophobicContact CG2-CD2 3.73Å; I70-L73 HydrophobicContact CG2-CG 3.92Å; E71-L73 VanDerWaalsContact C-N 3.32Å; E71-L73 PolarHBondContact O-N 2.75Å; L73-Y90 HydrophobicContact CD1-CE1 3.84Å; L73-Y90 VanDerWaalsContact CD2-OH 3.25Å; L73-Y90 WeakPolarHBondContact CD2-OH 3.21Å; L73-D165 WeakPolarHBondContact O-CA 3.46Å; L73-C166 WeakPolarHBondContact CB-O 3.32Å; L73-C166 PolarHBondContact N-O 2.98Å; L73-C166 PolarHBondContact O-N 2.78Å; L73-I168 HydrophobicContact CD1-CD1 3.6Å; L73-I168 HydrophobicContact CD1-CG1 4.06Å |
| 74 | P | 84.3 | Confident | 87.4 | Confident | 76 Ų | 76 | 58.6 Ų | 58.6 | 49% | 0.494 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 147.8 | -176.9 | -25.8 | 34.1 | 0 | 0 | 0 | 113.3 | E76 M77 S78 | P74-E76 PolarHBondContact O-N 3.48Å; P74-M77 WeakPolarHBondContact O-CB 3.38Å; P74-M77 PolarHBondContact O-N 2.66Å; P74-S78 PolarHBondContact O-N 2.81Å |
| 75 | F | 72.1 | Confident | 87.2 | Confident | 82 Ų | 82 | 64.3 Ų | 64.3 | 36% | 0.36 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -47.5 | -36 | -177.8 | -168.9 | -119 | 0 | 0 | 0 | 115.1 | M77 S78 K79 Q163 Q164 | F75-M77 VanDerWaalsContact C-N 3.35Å; F75-M77 PolarHBondContact O-N 2.93Å; F75-S78 VanDerWaalsContact CD2-OG 3.27Å; F75-S78 WeakPolarHBondContact CD2-OG 3.36Å; F75-S78 WeakPolarHBondContact O-CA 3.27Å; F75-S78 WeakPolarHBondContact O-CB 3.07Å; F75-S78 PolarHBondContact O-N 3.07Å; F75-S78 PolarHBondContact O-OG 3.25Å; F75-K79 VanDerWaalsContact CE1-CE 3.44Å; F75-K79 HydrophobicContact CE1-CG 4.48Å; F75-K79 PolarHBondContact O-N 2.9Å; F75-Q163 WeakPolarHBondContact CD2-O 3.36Å; F75-Q163 VanDerWaalsContact CE2-O 3.27Å; F75-Q163 WeakPolarHBondContact CE2-O 3.49Å; F75-Q164 WeakPolarHBondContact CA-O 3.42Å; F75-Q164 VanDerWaalsContact CB-O 3.29Å; F75-Q164 WeakPolarHBondContact CB-O 3.33Å; F75-Q164 PolarHBondContact N-O 2.99Å |
| 76 | E | 75.9 | Confident | 87 | Confident | 116 Ų | 116 | 66.3 Ų | 66.3 | 54% | 0.542 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64 | -40.2 | -179.7 | -148.5 | 61.5 | -149.3 | 0 | 0 | 112 | P74 S78 K79 T80 | P74-E76 PolarHBondContact O-N 3.48Å; E76-S78 PolarHBondContact O-N 2.97Å; E76-K79 WeakPolarHBondContact O-CB 3.49Å; E76-K79 PolarHBondContact O-N 3.02Å; E76-K79 VanDerWaalsContact O-N 3.17Å; E76-K79 WeakPolarHBondContact OE1-CD 3.45Å; E76-K79 IonicContact OE1-NZ 2.66Å; E76-K79 PolarHBondContact OE1-NZ 2.99Å; E76-K79 WeakPolarHBondContact OE2-CE 3.21Å; E76-K79 IonicContact OE2-NZ 2.69Å; E76-K79 PolarHBondContact OE2-NZ 3.32Å; E76-T80 PolarHBondContact O-N 3.09Å |
| 77 | M | 73.8 | Confident | 86.8 | Confident | 74 Ų | 74 | 63.2 Ų | 63.2 | 37% | 0.365 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.8 | -27.5 | 171.4 | -64.7 | -61.2 | -62.2 | 0 | 0 | 111.6 | P74 F75 K79 T80 L81 Y90 | P74-M77 WeakPolarHBondContact O-CB 3.38Å; P74-M77 PolarHBondContact O-N 2.66Å; F75-M77 VanDerWaalsContact C-N 3.35Å; F75-M77 PolarHBondContact O-N 2.93Å; M77-K79 PolarHBondContact O-N 3.32Å; M77-T80 PolarHBondContact O-N 3.46Å; M77-T80 PolarHBondContact O-OG1 3.45Å; M77-L81 WeakPolarHBondContact O-CD1 3.42Å; M77-L81 VanDerWaalsContact O-CG 3.24Å; M77-L81 WeakPolarHBondContact O-CG 3.37Å; M77-L81 PolarHBondContact O-N 2.91Å; M77-Y90 HydrophobicContact CE-CD2 4.44Å; M77-Y90 HydrophobicContact CE-CE2 3.82Å |
| 78 | S | 72.5 | Confident | 86.8 | Confident | 4 Ų | 4 | 64.2 Ų | 64.2 | 3% | 0.028 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.6 | -27.5 | 174.7 | 92.7 | 0 | 0 | 0 | 0 | 112.7 | P74 F75 E76 K157 C166 | P74-S78 PolarHBondContact O-N 2.81Å; F75-S78 VanDerWaalsContact CD2-OG 3.27Å; F75-S78 WeakPolarHBondContact CD2-OG 3.36Å; F75-S78 WeakPolarHBondContact O-CA 3.27Å; F75-S78 WeakPolarHBondContact O-CB 3.07Å; F75-S78 PolarHBondContact O-N 3.07Å; F75-S78 PolarHBondContact O-OG 3.25Å; E76-S78 PolarHBondContact O-N 2.97Å; S78-K157 PolarHBondContact O-NZ 2.62Å; S78-C166 WeakPolarHBondContact CB-SG 3.45Å |
| 79 | K | 75.4 | Confident | 86.7 | Confident | 85 Ų | 85 | 68.7 Ų | 68.7 | 37% | 0.37 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -75.8 | -40.1 | 175.7 | -58.7 | 173.2 | -172.7 | 168 | 0 | 112.1 | F75 E76 M77 L81 Q82 | F75-K79 VanDerWaalsContact CE1-CE 3.44Å; F75-K79 HydrophobicContact CE1-CG 4.48Å; F75-K79 PolarHBondContact O-N 2.9Å; E76-K79 WeakPolarHBondContact O-CB 3.49Å; E76-K79 PolarHBondContact O-N 3.02Å; E76-K79 VanDerWaalsContact O-N 3.17Å; E76-K79 WeakPolarHBondContact OE1-CD 3.45Å; E76-K79 IonicContact OE1-NZ 2.66Å; E76-K79 PolarHBondContact OE1-NZ 2.99Å; E76-K79 WeakPolarHBondContact OE2-CE 3.21Å; E76-K79 IonicContact OE2-NZ 2.69Å; E76-K79 PolarHBondContact OE2-NZ 3.32Å; M77-K79 PolarHBondContact O-N 3.32Å; K79-L81 PolarHBondContact O-N 2.9Å; K79-L81 VanDerWaalsContact O-N 3.16Å; K79-Q82 WeakPolarHBondContact O-CB 3.4Å; K79-Q82 WeakPolarHBondContact O-CG 3.29Å; K79-Q82 PolarHBondContact O-N 3.04Å |
| 80 | T | 80.5 | Confident | 86.6 | Confident | 76 Ų | 76 | 69.8 Ų | 69.8 | 47% | 0.466 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 15.3 | 177.5 | 63.8 | 0 | 0 | 0 | 0 | 113.5 | E76 M77 | E76-T80 PolarHBondContact O-N 3.09Å; M77-T80 PolarHBondContact O-N 3.46Å; M77-T80 PolarHBondContact O-OG1 3.45Å |
| 81 | L | 84.1 | Confident | 86.6 | Confident | 6 Ų | 6 | 68.9 Ų | 68.9 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.9 | 40.9 | 174.9 | -60.8 | 174.3 | 0 | 0 | 0 | 108.3 | M77 K79 E86 Y90 K157 I168 | M77-L81 WeakPolarHBondContact O-CD1 3.42Å; M77-L81 VanDerWaalsContact O-CG 3.24Å; M77-L81 WeakPolarHBondContact O-CG 3.37Å; M77-L81 PolarHBondContact O-N 2.91Å; K79-L81 PolarHBondContact O-N 2.9Å; K79-L81 VanDerWaalsContact O-N 3.16Å; L81-E86 WeakPolarHBondContact CA-OE2 3.47Å; L81-E86 HydrophobicContact CD2-CB 4.17Å; L81-E86 WeakPolarHBondContact CD2-O 3.38Å; L81-E86 PolarHBondContact N-OE2 3.3Å; L81-Y90 HydrophobicContact CD1-CD1 4.19Å; L81-Y90 HydrophobicContact CD1-CD2 4.38Å; L81-Y90 HydrophobicContact CD1-CG 4.11Å; L81-Y90 HydrophobicContact CD2-CD2 4.03Å; L81-Y90 HydrophobicContact CD2-CG 3.79Å; L81-K157 PolarHBondContact O-NZ 3.38Å; L81-I168 HydrophobicContact CD1-CD1 4.16Å |
| 82 | Q | 81.1 | Confident | 86.7 | Confident | 123 Ų | 123 | 66.3 Ų | 66.3 | 58% | 0.575 | 33% | 0.33 | S | S | * | . | trans | -91.4 | -23.8 | 179 | -87.7 | -168.9 | 8.6 | 0 | 0 | 112.3 | K79 E86 R139 | K79-Q82 WeakPolarHBondContact O-CB 3.4Å; K79-Q82 WeakPolarHBondContact O-CG 3.29Å; K79-Q82 PolarHBondContact O-N 3.04Å; Q82-E86 PolarHBondContact N-OE2 3.09Å; Q82-R139 PolarHBondContact O-NH1 2.84Å; Q82-R139 PolarHBondContact O-NH2 2.74Å | ||
| 83 | E | 90.6 | Very high | 87.1 | Confident | 115 Ų | 115 | 61.4 Ų | 61.4 | 54% | 0.537 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -92.6 | 149.7 | 172.9 | -70.8 | -54.8 | 138 | 0 | 0 | 112.4 | L85 E86 L87 | E83-L85 VanDerWaalsContact C-N 3.28Å; E83-L85 PolarHBondContact O-N 3.42Å; E83-E86 HydrophobicContact CB-CG 3.98Å; E83-E86 PolarHBondContact N-OE2 3.14Å; E83-E86 PolarHBondContact O-N 3.19Å; E83-L87 PolarHBondContact O-N 3.25Å |
| 84 | P | 93.3 | Very high | 87.5 | Confident | 47 Ų | 47 | 60.7 Ų | 60.7 | 31% | 0.305 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.2 | -39.3 | -179.7 | -26.6 | 36 | 0 | 0 | 0 | 113.4 | L87 I88 L141 | P84-L87 PolarHBondContact O-N 2.69Å; P84-I88 WeakPolarHBondContact O-CG1 3.44Å; P84-I88 PolarHBondContact O-N 3.42Å; P84-I88 VanDerWaalsContact O-N 3.13Å; P84-L141 HydrophobicContact CB-CD1 4.04Å; P84-L141 HydrophobicContact CB-CD2 3.96Å; P84-L141 HydrophobicContact CG-CD2 4.41Å |
| 85 | L | 94.1 | Very high | 88.1 | Confident | 122 Ų | 122 | 57.7 Ų | 57.7 | 64% | 0.639 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -70.6 | -31.7 | -179.2 | -59.4 | 178.5 | 0 | 0 | 0 | 112.5 | E83 N89 | E83-L85 VanDerWaalsContact C-N 3.28Å; E83-L85 PolarHBondContact O-N 3.42Å; L85-N89 VanDerWaalsContact O-CB 3.31Å; L85-N89 WeakPolarHBondContact O-CB 3.4Å; L85-N89 PolarHBondContact O-N 3Å; L85-N89 PolarHBondContact O-ND2 3.38Å |
| 86 | E | 93.3 | Very high | 89.2 | Confident | 73 Ų | 73 | 61 Ų | 61 | 34% | 0.341 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 174.2 | -65.3 | 174.1 | 150.6 | 0 | 0 | 110.8 | L81 Q82 E83 Y90 | L81-E86 WeakPolarHBondContact CA-OE2 3.47Å; L81-E86 HydrophobicContact CD2-CB 4.17Å; L81-E86 WeakPolarHBondContact CD2-O 3.38Å; L81-E86 PolarHBondContact N-OE2 3.3Å; Q82-E86 PolarHBondContact N-OE2 3.09Å; E83-E86 HydrophobicContact CB-CG 3.98Å; E83-E86 PolarHBondContact N-OE2 3.14Å; E83-E86 PolarHBondContact O-N 3.19Å; E86-Y90 VanDerWaalsContact O-CB 3.3Å; E86-Y90 WeakPolarHBondContact O-CB 3.26Å; E86-Y90 PolarHBondContact O-N 2.95Å |
| 87 | L | 94.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.2 | -38.5 | 179 | -176.9 | 56 | 0 | 0 | 0 | 112.4 | E83 P84 I91 L141 K157 I168 | E83-L87 PolarHBondContact O-N 3.25Å; P84-L87 PolarHBondContact O-N 2.69Å; L87-I91 HydrophobicContact CD1-CD1 4.29Å; L87-I91 HydrophobicContact CG-CD1 4.29Å; L87-I91 WeakPolarHBondContact O-CD1 3.45Å; L87-I91 WeakPolarHBondContact O-CG1 3.21Å; L87-I91 PolarHBondContact O-N 3.37Å; L87-L141 HydrophobicContact CB-CD1 4.09Å; L87-L141 HydrophobicContact CD2-CD1 3.82Å; L87-L141 HydrophobicContact CD2-CG 4.43Å; L87-L141 HydrophobicContact CG-CD1 4.2Å; L87-K157 HydrophobicContact CD2-CB 4.11Å; L87-K157 HydrophobicContact CD2-CD 4.44Å; L87-I168 HydrophobicContact CD1-CD1 3.56Å; L87-I168 HydrophobicContact CD1-CG1 3.92Å; L87-I168 HydrophobicContact CD1-CG2 4.15Å |
| 88 | I | 96.3 | Very high | 91.2 | Very high | 30 Ų | 30 | 60 Ų | 60 | 15% | 0.154 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.8 | -57.9 | 173.1 | -69.8 | 166 | 0 | 0 | 0 | 110 | P84 Y90 I91 D92 L141 Y143 | P84-I88 WeakPolarHBondContact O-CG1 3.44Å; P84-I88 PolarHBondContact O-N 3.42Å; P84-I88 VanDerWaalsContact O-N 3.13Å; I88-Y90 PolarHBondContact O-N 2.53Å; I88-I91 PolarHBondContact O-N 3.32Å; I88-D92 WeakPolarHBondContact CG2-OD2 3.41Å; I88-D92 PolarHBondContact O-N 3.38Å; I88-L141 HydrophobicContact CG1-CD1 4.44Å; I88-Y143 HydrophobicContact CB-CE2 4.36Å; I88-Y143 HydrophobicContact CD1-CD1 4.3Å; I88-Y143 HydrophobicContact CD1-CD2 4.2Å; I88-Y143 HydrophobicContact CD1-CG 3.96Å; I88-Y143 HydrophobicContact CG1-CD1 3.92Å; I88-Y143 HydrophobicContact CG1-CD2 4.05Å; I88-Y143 HydrophobicContact CG1-CE1 3.98Å; I88-Y143 HydrophobicContact CG1-CE2 4.11Å; I88-Y143 HydrophobicContact CG1-CG 3.94Å; I88-Y143 HydrophobicContact CG2-CD2 3.94Å; I88-Y143 HydrophobicContact CG2-CE2 3.62Å |
| 89 | N | 95.2 | Very high | 92.3 | Very high | 105 Ų | 105 | 65.9 Ų | 65.9 | 56% | 0.561 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -53.9 | -33.7 | 179.6 | -69.5 | -21.1 | 0 | 0 | 0 | 112.9 | L85 A93 | L85-N89 VanDerWaalsContact O-CB 3.31Å; L85-N89 WeakPolarHBondContact O-CB 3.4Å; L85-N89 PolarHBondContact O-N 3Å; L85-N89 PolarHBondContact O-ND2 3.38Å; N89-A93 VanDerWaalsContact O-CB 3.24Å; N89-A93 WeakPolarHBondContact O-CB 3.37Å; N89-A93 PolarHBondContact O-N 2.96Å |
| 90 | Y | 95.3 | Very high | 93.4 | Very high | 52 Ų | 52 | 62.1 Ų | 62.1 | 20% | 0.204 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -71.9 | -37.8 | 177.2 | -171.4 | -92 | 0 | 0 | 0 | 113.4 | I70 L73 M77 L81 E86 I88 A94 I168 | I70-Y90 HydrophobicContact CD1-CD1 4.22Å; I70-Y90 HydrophobicContact CD1-CE1 3.79Å; I70-Y90 HydrophobicContact CG2-CE1 4.47Å; L73-Y90 HydrophobicContact CD1-CE1 3.84Å; L73-Y90 VanDerWaalsContact CD2-OH 3.25Å; L73-Y90 WeakPolarHBondContact CD2-OH 3.21Å; M77-Y90 HydrophobicContact CE-CD2 4.44Å; M77-Y90 HydrophobicContact CE-CE2 3.82Å; L81-Y90 HydrophobicContact CD1-CD1 4.19Å; L81-Y90 HydrophobicContact CD1-CD2 4.38Å; L81-Y90 HydrophobicContact CD1-CG 4.11Å; L81-Y90 HydrophobicContact CD2-CD2 4.03Å; L81-Y90 HydrophobicContact CD2-CG 3.79Å; E86-Y90 VanDerWaalsContact O-CB 3.3Å; E86-Y90 WeakPolarHBondContact O-CB 3.26Å; E86-Y90 PolarHBondContact O-N 2.95Å; I88-Y90 PolarHBondContact O-N 2.53Å; Y90-A94 VanDerWaalsContact O-CB 3.3Å; Y90-A94 WeakPolarHBondContact O-CB 3.28Å; Y90-A94 PolarHBondContact O-N 3.3Å; Y90-I168 HydrophobicContact CD1-CD1 3.63Å; Y90-I168 HydrophobicContact CE1-CD1 3.84Å |
| 91 | I | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.5 | -45.3 | 174.2 | -67.5 | 163 | 0 | 0 | 0 | 109.7 | L87 I88 A93 A94 Q95 L100 Y143 A155 I168 V170 | L87-I91 HydrophobicContact CD1-CD1 4.29Å; L87-I91 HydrophobicContact CG-CD1 4.29Å; L87-I91 WeakPolarHBondContact O-CD1 3.45Å; L87-I91 WeakPolarHBondContact O-CG1 3.21Å; L87-I91 PolarHBondContact O-N 3.37Å; I88-I91 PolarHBondContact O-N 3.32Å; I91-A93 VanDerWaalsContact C-N 3.32Å; I91-A93 PolarHBondContact O-N 3.35Å; I91-A94 CarbonylContact O-C 3.44Å; I91-A94 WeakPolarHBondContact O-CA 3.4Å; I91-A94 WeakPolarHBondContact O-CB 3.22Å; I91-A94 PolarHBondContact O-N 2.88Å; I91-Q95 PolarHBondContact O-N 3.37Å; I91-L100 HydrophobicContact CG2-CD1 4.05Å; I91-Y143 HydrophobicContact CD1-CE1 4.47Å; I91-Y143 VanDerWaalsContact CG2-OH 3.29Å; I91-Y143 WeakPolarHBondContact CG2-OH 3.12Å; I91-A155 HydrophobicContact CD1-CB 3.45Å; I91-A155 VanDerWaalsContact CD1-CB 3.45Å; I91-I168 HydrophobicContact CD1-CG2 3.91Å; I91-I168 HydrophobicContact CG1-CG2 4.03Å; I91-V170 HydrophobicContact CD1-CG2 4.07Å; I91-V170 HydrophobicContact CG1-CG2 4.29Å; I91-V170 HydrophobicContact CG2-CG2 4.18Å |
| 92 | D | 95.9 | Very high | 94.6 | Very high | 46 Ų | 46 | 65.3 Ų | 65.3 | 25% | 0.246 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 179.8 | -55.1 | -7.7 | 0 | 0 | 0 | 110.9 | I88 Q95 Q96 Y143 | I88-D92 WeakPolarHBondContact CG2-OD2 3.41Å; I88-D92 PolarHBondContact O-N 3.38Å; D92-Q95 PolarHBondContact O-N 2.88Å; D92-Q96 VanDerWaalsContact O-CG 3.32Å; D92-Q96 WeakPolarHBondContact O-CG 3.39Å; D92-Q96 PolarHBondContact O-N 3.47Å; D92-Q96 PolarHBondContact O-NE2 3.45Å; D92-Y143 PolarHBondContact OD1-OH 2.76Å |
| 93 | A | 96.1 | Very high | 95.2 | Very high | 40 Ų | 40 | 64 Ų | 64 | 33% | 0.331 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.5 | -39 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | N89 I91 Q95 Q96 D97 | N89-A93 VanDerWaalsContact O-CB 3.24Å; N89-A93 WeakPolarHBondContact O-CB 3.37Å; N89-A93 PolarHBondContact O-N 2.96Å; I91-A93 VanDerWaalsContact C-N 3.32Å; I91-A93 PolarHBondContact O-N 3.35Å; A93-Q95 VanDerWaalsContact C-N 3.3Å; A93-Q95 PolarHBondContact O-N 2.97Å; A93-Q96 PolarHBondContact O-N 2.93Å; A93-D97 WeakPolarHBondContact O-CB 3.27Å; A93-D97 PolarHBondContact O-N 3.15Å |
| 94 | A | 96.6 | Very high | 95.5 | Very high | 3 Ų | 3 | 59 Ų | 59 | 3% | 0.025 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67 | -29.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | I70 Y90 I91 G98 K99 L100 | I70-A94 HydrophobicContact CD1-CB 3.46Å; I70-A94 VanDerWaalsContact CD1-CB 3.46Å; Y90-A94 VanDerWaalsContact O-CB 3.3Å; Y90-A94 WeakPolarHBondContact O-CB 3.28Å; Y90-A94 PolarHBondContact O-N 3.3Å; I91-A94 CarbonylContact O-C 3.44Å; I91-A94 WeakPolarHBondContact O-CA 3.4Å; I91-A94 WeakPolarHBondContact O-CB 3.22Å; I91-A94 PolarHBondContact O-N 2.88Å; A94-G98 PolarHBondContact O-N 2.88Å; A94-K99 HydrophobicContact CB-CB 4.26Å; A94-K99 HydrophobicContact CB-CD 4.37Å; A94-K99 WeakPolarHBondContact O-CA 3.4Å; A94-K99 WeakPolarHBondContact O-CB 3.35Å; A94-K99 PolarHBondContact O-N 2.98Å; A94-L100 HydrophobicContact CB-CD1 4.36Å; A94-L100 HydrophobicContact CB-CG 4.5Å; A94-L100 PolarHBondContact O-N 2.65Å |
| 95 | Q | 96.7 | Very high | 95.5 | Very high | 12 Ų | 12 | 59 Ų | 59 | 6% | 0.056 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -72.4 | -41.7 | 170.7 | -70.1 | 178 | -42.4 | 0 | 0 | 111.9 | I91 D92 A93 D97 G98 L100 P101 F102 | I91-Q95 PolarHBondContact O-N 3.37Å; D92-Q95 PolarHBondContact O-N 2.88Å; A93-Q95 VanDerWaalsContact C-N 3.3Å; A93-Q95 PolarHBondContact O-N 2.97Å; Q95-D97 VanDerWaalsContact C-N 3.33Å; Q95-D97 PolarHBondContact O-N 3.14Å; Q95-G98 PolarHBondContact O-N 2.89Å; Q95-L100 WeakPolarHBondContact CA-O 3.33Å; Q95-L100 HydrophobicContact CG-CB 3.74Å; Q95-P101 PolarHBondContact NE2-O 3.29Å; Q95-F102 HydrophobicContact CB-CD1 3.87Å; Q95-F102 HydrophobicContact CB-CD2 4.28Å; Q95-F102 HydrophobicContact CB-CE1 3.56Å; Q95-F102 HydrophobicContact CB-CE2 3.98Å; Q95-F102 HydrophobicContact CB-CG 4.23Å; Q95-F102 HydrophobicContact CB-CZ 3.62Å; Q95-F102 HydrophobicContact CG-CD1 4.42Å; Q95-F102 HydrophobicContact CG-CE1 4.5Å; Q95-F102 WeakPolarHBondContact O-CE2 3.48Å |
| 96 | Q | 96.4 | Very high | 95.4 | Very high | 151 Ų | 151 | 60.5 Ų | 60.5 | 71% | 0.706 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -62.4 | -37.7 | 173.6 | -69.7 | 168.4 | 45.2 | 0 | 0 | 112.5 | D92 A93 G98 F102 | D92-Q96 VanDerWaalsContact O-CG 3.32Å; D92-Q96 WeakPolarHBondContact O-CG 3.39Å; D92-Q96 PolarHBondContact O-N 3.47Å; D92-Q96 PolarHBondContact O-NE2 3.45Å; A93-Q96 PolarHBondContact O-N 2.93Å; Q96-G98 PolarHBondContact O-N 2.91Å; Q96-F102 HydrophobicContact CG-CZ 4.05Å |
| 97 | D | 96.7 | Very high | 95.5 | Very high | 106 Ų | 106 | 63.8 Ų | 63.8 | 57% | 0.567 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -6.7 | 172.9 | -77.8 | -20.6 | 0 | 0 | 0 | 113.7 | A93 Q95 K99 | A93-D97 WeakPolarHBondContact O-CB 3.27Å; A93-D97 PolarHBondContact O-N 3.15Å; Q95-D97 VanDerWaalsContact C-N 3.33Å; Q95-D97 PolarHBondContact O-N 3.14Å; D97-K99 VanDerWaalsContact C-N 3.27Å; D97-K99 HydrophobicContact CB-CD 3.84Å; D97-K99 HydrophobicContact CB-CG 4Å; D97-K99 PolarHBondContact O-N 3.46Å; D97-K99 WeakPolarHBondContact OD2-CE 3.39Å; D97-K99 IonicContact OD2-NZ 2.69Å; D97-K99 PolarHBondContact OD2-NZ 3.27Å |
| 98 | G | 95.1 | Very high | 95.6 | Very high | 64 Ų | 64 | 67.4 Ų | 67.4 | 66% | 0.66 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | 15.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115 | A94 Q95 Q96 | A94-G98 PolarHBondContact O-N 2.88Å; Q95-G98 PolarHBondContact O-N 2.89Å; Q96-G98 PolarHBondContact O-N 2.91Å |
| 99 | K | 95.9 | Very high | 95.7 | Very high | 128 Ų | 128 | 66.3 Ų | 66.3 | 56% | 0.557 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -77.4 | -27.3 | 175 | -61.8 | 162.1 | -178.5 | 160.3 | 0 | 112 | A94 D97 | A94-K99 HydrophobicContact CB-CB 4.26Å; A94-K99 HydrophobicContact CB-CD 4.37Å; A94-K99 WeakPolarHBondContact O-CA 3.4Å; A94-K99 WeakPolarHBondContact O-CB 3.35Å; A94-K99 PolarHBondContact O-N 2.98Å; D97-K99 VanDerWaalsContact C-N 3.27Å; D97-K99 HydrophobicContact CB-CD 3.84Å; D97-K99 HydrophobicContact CB-CG 4Å; D97-K99 PolarHBondContact O-N 3.46Å; D97-K99 WeakPolarHBondContact OD2-CE 3.39Å; D97-K99 IonicContact OD2-NZ 2.69Å; D97-K99 PolarHBondContact OD2-NZ 3.27Å |
| 100 | L | 97.1 | Very high | 95.8 | Very high | 6 Ų | 6 | 61.9 Ų | 61.9 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -125.4 | 148.6 | 169.3 | -69.2 | 176.9 | 0 | 0 | 0 | 109 | I70 I91 A94 Q95 V170 | I70-L100 HydrophobicContact CD1-CD1 3.87Å; I70-L100 HydrophobicContact CD1-CG 4.28Å; I70-L100 HydrophobicContact CG1-CD1 3.97Å; I70-L100 HydrophobicContact CG1-CD2 4.26Å; I70-L100 HydrophobicContact CG1-CG 4.06Å; I91-L100 HydrophobicContact CG2-CD1 4.05Å; A94-L100 HydrophobicContact CB-CD1 4.36Å; A94-L100 HydrophobicContact CB-CG 4.5Å; A94-L100 PolarHBondContact O-N 2.65Å; Q95-L100 WeakPolarHBondContact CA-O 3.33Å; Q95-L100 HydrophobicContact CG-CB 3.74Å; L100-V170 HydrophobicContact CD1-CG2 3.99Å |
| 101 | P | 96.7 | Very high | 96 | Very high | 61 Ų | 61 | 59.5 Ų | 59.5 | 40% | 0.396 | 33% | 0.331 | S | S | . | . | trans | -75.5 | 152.2 | 169.4 | 32.9 | -34.2 | 0 | 0 | 0 | 111 | V67 Q95 | V67-P101 HydrophobicContact CG1-CG 3.99Å; V67-P101 VanDerWaalsContact CG1-O 3.24Å; V67-P101 WeakPolarHBondContact CG1-O 3.48Å; V67-P101 WeakPolarHBondContact O-CD 3.34Å; V67-P101 WeakPolarHBondContact O-CG 3.44Å; Q95-P101 PolarHBondContact NE2-O 3.29Å | ||
| 102 | F | 93.9 | Very high | 96 | Very high | 87 Ų | 87 | 59.7 Ų | 59.7 | 38% | 0.382 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -71.6 | -31.7 | 169.9 | -76.4 | -79.7 | 0 | 0 | 0 | 112.8 | Q95 Q96 L147 | Q95-F102 HydrophobicContact CB-CD1 3.87Å; Q95-F102 HydrophobicContact CB-CD2 4.28Å; Q95-F102 HydrophobicContact CB-CE1 3.56Å; Q95-F102 HydrophobicContact CB-CE2 3.98Å; Q95-F102 HydrophobicContact CB-CG 4.23Å; Q95-F102 HydrophobicContact CB-CZ 3.62Å; Q95-F102 HydrophobicContact CG-CD1 4.42Å; Q95-F102 HydrophobicContact CG-CE1 4.5Å; Q95-F102 WeakPolarHBondContact O-CE2 3.48Å; Q96-F102 HydrophobicContact CG-CZ 4.05Å; F102-L147 HydrophobicContact CB-CD1 4.16Å; F102-L147 HydrophobicContact CD1-CD1 4.39Å; F102-L147 HydrophobicContact CD1-CD2 4.15Å |
| 103 | V | 93.8 | Very high | 96.1 | Very high | 96 Ų | 96 | 57.5 Ų | 57.5 | 58% | 0.582 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -125.3 | 128.2 | -178.5 | -175.2 | 0 | 0 | 0 | 0 | 108.5 | ||
| 104 | P | 95.6 | Very high | 96.1 | Very high | 9 Ų | 9 | 56.6 Ų | 56.6 | 6% | 0.058 | 31% | 0.313 | C | S | . | . | trans | -69.5 | 170.4 | 177.4 | 30.8 | -36.9 | 0 | 0 | 0 | 112.3 | K65 Y66 V67 Q172 | K65-P104 HydrophobicContact CB-CB 3.9Å; K65-P104 HydrophobicContact CB-CG 3.76Å; K65-P104 HydrophobicContact CD-CG 4.1Å; Y66-P104 WeakPolarHBondContact O-CB 3.47Å; V67-P104 HydrophobicContact CG2-CB 4Å; V67-P104 HydrophobicContact CG2-CG 4.27Å; P104-Q172 VanDerWaalsContact CD-OE1 3.22Å; P104-Q172 HydrophobicContact CG-CB 3.91Å; P104-Q172 HydrophobicContact CG-CG 4.41Å | ||
| 105 | G | 93.6 | Very high | 95.9 | Very high | 49 Ų | 49 | 59.9 Ų | 59.9 | 51% | 0.505 | 33% | 0.326 | S | S | . | . | trans | -64.4 | 172.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | K65 E107 | K65-G105 VanDerWaalsContact CD-O 3.3Å; K65-G105 WeakPolarHBondContact CD-O 3.33Å; K65-G105 WeakPolarHBondContact CE-O 3.49Å; G105-E107 VanDerWaalsContact C-N 3.28Å; G105-E107 PolarHBondContact O-N 2.97Å | ||
| 106 | E | 93.6 | Very high | 95.8 | Very high | 153 Ų | 153 | 67 Ų | 67 | 72% | 0.715 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -76.7 | -12.3 | 177.8 | -72.6 | -54 | 120.4 | 0 | 0 | 114.5 | K65 E108 | K65-E106 WeakPolarHBondContact CE-O 3.49Å; K65-E106 IonicContact NZ-OE1 2.77Å; K65-E106 PolarHBondContact NZ-OE1 3.04Å; K65-E106 IonicContact NZ-OE2 2.92Å; K65-E106 PolarHBondContact NZ-OE2 2.93Å; E106-E108 PolarHBondContact O-N 2.69Å |
| 107 | E | 94.8 | Very high | 95.8 | Very high | 142 Ų | 142 | 60 Ų | 60 | 66% | 0.664 | 32% | 0.322 | S | S | * | . | trans | -70.2 | 119.6 | 179.5 | -170.9 | 171.3 | 178.3 | 0 | 0 | 112.2 | G105 | G105-E107 VanDerWaalsContact C-N 3.28Å; G105-E107 PolarHBondContact O-N 2.97Å | ||
| 108 | E | 96.9 | Very high | 95.9 | Very high | 75 Ų | 75 | 55.3 Ų | 55.3 | 35% | 0.35 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 157.3 | 166.6 | -64.7 | -162.6 | 144.3 | 0 | 0 | 111.1 | R63 V64 K65 E106 M123 | R63-E108 WeakPolarHBondContact CD-OE2 3.43Å; V64-E108 CarbonylContact O-C 3.55Å; V64-E108 WeakPolarHBondContact O-CA 3.18Å; K65-E108 HydrophobicContact CG-CG 4.45Å; E106-E108 PolarHBondContact O-N 2.69Å; E108-M123 HydrophobicContact CB-CG 4.02Å; E108-M123 HydrophobicContact CB-SD 3.99Å; E108-M123 WeakPolarHBondContact O-CG 3.22Å |
| 109 | M | 97.3 | Very high | 96 | Very high | 8 Ų | 8 | 54.4 Ų | 54.4 | 4% | 0.039 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 152.9 | -179.3 | -56.3 | -167.2 | 81.2 | 0 | 0 | 110.7 | R63 V64 Y66 V120 L129 | R63-M109 WeakPolarHBondContact CA-O 3.27Å; V64-M109 PolarHBondContact N-O 2.81Å; V64-M109 PolarHBondContact O-N 2.82Å; Y66-M109 VanDerWaalsContact CB-SD 3.55Å; Y66-M109 HydrophobicContact CG-SD 4.32Å; M109-V120 HydrophobicContact CB-CG1 4.15Å; M109-V120 HydrophobicContact CE-CG1 3.78Å; M109-V120 HydrophobicContact SD-CG1 3.99Å; M109-L129 HydrophobicContact CE-CB 4.36Å; M109-L129 HydrophobicContact CE-CD1 3.42Å; M109-L129 VanDerWaalsContact CE-CD1 3.42Å; M109-L129 HydrophobicContact CE-CD2 3.56Å; M109-L129 HydrophobicContact CE-CG 3.95Å |
| 110 | V | 98 | Very high | 96.1 | Very high | 12 Ų | 12 | 48.3 Ų | 48.3 | 7% | 0.073 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 107.5 | 174.7 | -176.7 | 0 | 0 | 0 | 0 | 109.9 | E61 V120 A121 M123 Q125 | E61-V110 HydrophobicContact CB-CG1 3.92Å; E61-V110 HydrophobicContact CG-CG1 4.24Å; V110-V120 WeakPolarHBondContact O-CA 3.47Å; V110-A121 PolarHBondContact N-O 3.21Å; V110-A121 PolarHBondContact O-N 3.07Å; V110-M123 HydrophobicContact CG2-SD 3.81Å; V110-Q125 HydrophobicContact CG2-CG 4.27Å |
| 111 | L | 98.2 | Very high | 96.2 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 106.9 | 169.4 | -172.2 | 160.3 | 0 | 0 | 0 | 108.8 | F62 V64 V113 V118 K119 V120 L154 Y171 I182 | F62-L111 PolarHBondContact N-O 2.91Å; F62-L111 PolarHBondContact O-N 2.83Å; V64-L111 HydrophobicContact CG1-CB 4.31Å; V64-L111 HydrophobicContact CG1-CD1 4.38Å; V64-L111 HydrophobicContact CG2-CB 3.71Å; V64-L111 HydrophobicContact CG2-CD1 4.04Å; L111-V113 HydrophobicContact CD2-CG2 3.52Å; L111-V118 HydrophobicContact CD1-CG1 4.32Å; L111-V118 HydrophobicContact CD2-CG1 3.76Å; L111-V118 HydrophobicContact CG-CG1 3.75Å; L111-K119 CarbonylContact C-O 3.54Å; L111-K119 WeakPolarHBondContact CA-O 3.38Å; L111-V120 HydrophobicContact CG-CG2 4.28Å; L111-L154 HydrophobicContact CD1-CD2 3.9Å; L111-Y171 HydrophobicContact CD1-CD2 4.13Å; L111-Y171 HydrophobicContact CD1-CE2 4.43Å; L111-Y171 HydrophobicContact CD1-CG 4.19Å; L111-I182 HydrophobicContact CD2-CG2 4.13Å |
| 112 | G | 97.4 | Very high | 96.2 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 127.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A60 V118 K119 | A60-G112 CarbonylContact O-C 3.58Å; A60-G112 WeakPolarHBondContact O-CA 3.41Å; G112-V118 CarbonylContact O-C 3.49Å; G112-V118 WeakPolarHBondContact O-CA 3.15Å; G112-K119 PolarHBondContact N-O 2.75Å; G112-K119 PolarHBondContact O-N 2.77Å |
| 113 | V | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 136.3 | 175.4 | -169.3 | 0 | 0 | 0 | 0 | 109.6 | C59 A60 F62 L111 V118 I182 V185 L186 | C59-V113 WeakPolarHBondContact CA-O 3.28Å; A60-V113 PolarHBondContact N-O 2.84Å; A60-V113 PolarHBondContact O-N 3.3Å; F62-V113 HydrophobicContact CD2-CG2 4.4Å; F62-V113 HydrophobicContact CE2-CG2 4.19Å; L111-V113 HydrophobicContact CD2-CG2 3.52Å; V113-V118 HydrophobicContact CG1-CG2 4.48Å; V113-V118 HydrophobicContact CG2-CG2 4.41Å; V113-I182 HydrophobicContact CG2-CG2 4.1Å; V113-V185 HydrophobicContact CB-CB 4.42Å; V113-V185 HydrophobicContact CB-CG1 3.87Å; V113-V185 HydrophobicContact CG1-CB 4.32Å; V113-V185 HydrophobicContact CG1-CG1 3.83Å; V113-L186 HydrophobicContact CG1-CB 3.99Å; V113-L186 HydrophobicContact CG1-CD1 3.94Å |
| 114 | S | 95.4 | Very high | 96.3 | Very high | 21 Ų | 21 | 45.8 Ų | 45.8 | 15% | 0.147 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 177.1 | 178.3 | 68.3 | 0 | 0 | 0 | 0 | 112.2 | Y116 G117 | S114-Y116 PolarHBondContact O-N 3Å; S114-Y116 PolarHBondContact OG-N 2.77Å; S114-G117 PolarHBondContact N-O 3.4Å; S114-G117 PolarHBondContact O-N 2.97Å |
| 115 | K | 93.6 | Very high | 96.1 | Very high | 72 Ų | 72 | 49.3 Ų | 49.3 | 31% | 0.313 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -17.2 | 169.4 | 74.6 | -172.1 | -169.9 | -171.6 | 0 | 115.1 | E57 | E57-K115 WeakPolarHBondContact OE1-CE 3.25Å; E57-K115 IonicContact OE1-NZ 2.62Å; E57-K115 PolarHBondContact OE1-NZ 2.86Å |
| 116 | Y | 94.9 | Very high | 96 | Very high | 162 Ų | 162 | 51.6 Ų | 51.6 | 64% | 0.635 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -14.6 | 176.5 | -59.8 | -72.8 | 0 | 0 | 0 | 113.6 | S114 L134 | S114-Y116 PolarHBondContact O-N 3Å; S114-Y116 PolarHBondContact OG-N 2.77Å; Y116-L134 PolarHBondContact O-N 2.86Å |
| 117 | G | 96.4 | Very high | 96.1 | Very high | 4 Ų | 4 | 49.7 Ų | 49.7 | 4% | 0.041 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 119.3 | -151.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S114 H132 | S114-G117 PolarHBondContact N-O 3.4Å; S114-G117 PolarHBondContact O-N 2.97Å; G117-H132 WeakPolarHBondContact CA-O 3.45Å |
| 118 | V | 98.1 | Very high | 96.2 | Very high | 6 Ų | 6 | 45.8 Ų | 45.8 | 4% | 0.036 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 129 | -177.4 | -177.6 | 0 | 0 | 0 | 0 | 111 | L111 G112 V113 V120 H132 I137 L186 | L111-V118 HydrophobicContact CD1-CG1 4.32Å; L111-V118 HydrophobicContact CD2-CG1 3.76Å; L111-V118 HydrophobicContact CG-CG1 3.75Å; G112-V118 CarbonylContact O-C 3.49Å; G112-V118 WeakPolarHBondContact O-CA 3.15Å; V113-V118 HydrophobicContact CG1-CG2 4.48Å; V113-V118 HydrophobicContact CG2-CG2 4.41Å; V118-V120 HydrophobicContact CG1-CG2 4.3Å; V118-H132 HydrophobicContact CB-CB 4.28Å; V118-H132 PolarHBondContact N-O 3.39Å; V118-H132 PolarHBondContact O-N 3.16Å; V118-I137 HydrophobicContact CG2-CD1 3.93Å; V118-L186 HydrophobicContact CG2-CD1 4.21Å |
| 119 | K | 97.9 | Very high | 96.1 | Very high | 45 Ų | 45 | 46.5 Ų | 46.5 | 20% | 0.196 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 133.8 | 170.4 | 178.2 | -164.2 | 68 | 171.9 | 0 | 108.2 | E61 L111 G112 V128 | E61-K119 WeakPolarHBondContact OE1-CE 3.42Å; E61-K119 IonicContact OE1-NZ 2.59Å; E61-K119 PolarHBondContact OE1-NZ 3.03Å; L111-K119 CarbonylContact C-O 3.54Å; L111-K119 WeakPolarHBondContact CA-O 3.38Å; G112-K119 PolarHBondContact N-O 2.75Å; G112-K119 PolarHBondContact O-N 2.77Å; K119-V128 HydrophobicContact CG-CG1 4.03Å |
| 120 | V | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 126.3 | 167.2 | -171 | 0 | 0 | 0 | 0 | 109.3 | M109 V110 L111 V118 L129 H130 Y171 | M109-V120 HydrophobicContact CB-CG1 4.15Å; M109-V120 HydrophobicContact CE-CG1 3.78Å; M109-V120 HydrophobicContact SD-CG1 3.99Å; V110-V120 WeakPolarHBondContact O-CA 3.47Å; L111-V120 HydrophobicContact CG-CG2 4.28Å; V118-V120 HydrophobicContact CG1-CG2 4.3Å; V120-L129 PolarHBondContact O-N 2.86Å; V120-H130 HydrophobicContact CB-CB 4.14Å; V120-H130 HydrophobicContact CG2-CB 4.39Å; V120-H130 PolarHBondContact N-O 2.87Å; V120-H130 PolarHBondContact O-N 3.47Å; V120-H130 VanDerWaalsContact O-N 3.14Å; V120-Y171 HydrophobicContact CG1-CE1 4.24Å; V120-Y171 HydrophobicContact CG2-CE1 3.99Å |
| 121 | A | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 164.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112 | V110 D127 V128 | V110-A121 PolarHBondContact N-O 3.21Å; V110-A121 PolarHBondContact O-N 3.07Å; A121-D127 CarbonylContact C-O 3.52Å; A121-D127 WeakPolarHBondContact CA-O 3.33Å; A121-D127 WeakPolarHBondContact CB-O 3.44Å; A121-V128 HydrophobicContact CB-CG2 4.22Å |
| 122 | S | 96.8 | Very high | 96 | Very high | 13 Ų | 13 | 56.3 Ų | 56.3 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | trans | -58.8 | 163.1 | 168 | 56.7 | 0 | 0 | 0 | 0 | 112.1 | D124 Q125 C126 D127 | S122-D124 VanDerWaalsContact C-N 3.3Å; S122-D124 VanDerWaalsContact CB-OD1 3.29Å; S122-D124 WeakPolarHBondContact CB-OD1 3.48Å; S122-D124 PolarHBondContact O-N 2.91Å; S122-D124 PolarHBondContact OG-OD1 3.08Å; S122-Q125 WeakPolarHBondContact O-CA 3.24Å; S122-Q125 PolarHBondContact O-N 2.88Å; S122-C126 PolarHBondContact OG-N 2.98Å; S122-D127 PolarHBondContact N-O 2.77Å; S122-D127 PolarHBondContact OG-N 2.99Å; S122-D127 PolarHBondContact OG-O 3.33Å | ||
| 123 | M | 96.2 | Very high | 96 | Very high | 76 Ų | 76 | 58.2 Ų | 58.2 | 37% | 0.374 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -22.1 | -178.3 | -80.9 | -65 | -61.3 | 0 | 0 | 115.1 | R63 E108 V110 Q125 | R63-M123 HydrophobicContact CG-CE 4.31Å; R63-M123 HydrophobicContact CG-SD 4.28Å; E108-M123 HydrophobicContact CB-CG 4.02Å; E108-M123 HydrophobicContact CB-SD 3.99Å; E108-M123 WeakPolarHBondContact O-CG 3.22Å; V110-M123 HydrophobicContact CG2-SD 3.81Å; M123-Q125 VanDerWaalsContact C-N 3.32Å |
| 124 | D | 94.5 | Very high | 95.9 | Very high | 109 Ų | 109 | 59 Ų | 59 | 58% | 0.583 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -6.1 | 168.9 | 57.1 | 14.6 | 0 | 0 | 0 | 113.2 | S122 C126 | S122-D124 VanDerWaalsContact C-N 3.3Å; S122-D124 VanDerWaalsContact CB-OD1 3.29Å; S122-D124 WeakPolarHBondContact CB-OD1 3.48Å; S122-D124 PolarHBondContact O-N 2.91Å; S122-D124 PolarHBondContact OG-OD1 3.08Å; D124-C126 PolarHBondContact O-N 2.84Å; D124-C126 WeakPolarHBondContact OD1-CB 3.41Å; D124-C126 PolarHBondContact OD1-N 3.39Å |
| 125 | Q | 90.6 | Very high | 95.9 | Very high | 82 Ų | 82 | 66.3 Ų | 66.3 | 38% | 0.383 | 32% | 0.319 | S | S | . | . | S | Bend | trans | 57.3 | 16.9 | -171.5 | -49.4 | -156.7 | 31.8 | 0 | 0 | 115.4 | E61 V110 S122 M123 | E61-Q125 PolarHBondContact OE2-NE2 2.9Å; V110-Q125 HydrophobicContact CG2-CG 4.27Å; S122-Q125 WeakPolarHBondContact O-CA 3.24Å; S122-Q125 PolarHBondContact O-N 2.88Å; M123-Q125 VanDerWaalsContact C-N 3.32Å |
| 126 | C | 91.9 | Very high | 96 | Very high | 97 Ų | 97 | 64.2 Ų | 64.2 | 66% | 0.655 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -71.3 | -43.2 | 175.7 | -68.6 | 0 | 0 | 0 | 0 | 112.1 | S122 D124 | S122-C126 PolarHBondContact OG-N 2.98Å; D124-C126 PolarHBondContact O-N 2.84Å; D124-C126 WeakPolarHBondContact OD1-CB 3.41Å; D124-C126 PolarHBondContact OD1-N 3.39Å |
| 127 | D | 95.2 | Very high | 96 | Very high | 113 Ų | 113 | 57.1 Ų | 57.1 | 60% | 0.604 | 28% | 0.284 | S | S | * | . | trans | -105.8 | 127.3 | -179.4 | -74.1 | -44.5 | 0 | 0 | 0 | 111.4 | A121 S122 | A121-D127 CarbonylContact C-O 3.52Å; A121-D127 WeakPolarHBondContact CA-O 3.33Å; A121-D127 WeakPolarHBondContact CB-O 3.44Å; S122-D127 PolarHBondContact N-O 2.77Å; S122-D127 PolarHBondContact OG-N 2.99Å; S122-D127 PolarHBondContact OG-O 3.33Å | ||
| 128 | V | 96.8 | Very high | 95.8 | Very high | 61 Ų | 61 | 61 Ų | 61 | 37% | 0.37 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 99.3 | 175.3 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | K119 A121 R131 | K119-V128 HydrophobicContact CG-CG1 4.03Å; A121-V128 HydrophobicContact CB-CG2 4.22Å; V128-R131 HydrophobicContact CG1-CG 3.88Å |
| 129 | L | 95.5 | Very high | 95.7 | Very high | 90 Ų | 90 | 64.7 Ų | 64.7 | 47% | 0.471 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | -41.1 | -176.1 | -64.2 | 82.6 | 0 | 0 | 0 | 112.1 | M109 V120 | M109-L129 HydrophobicContact CE-CB 4.36Å; M109-L129 HydrophobicContact CE-CD1 3.42Å; M109-L129 VanDerWaalsContact CE-CD1 3.42Å; M109-L129 HydrophobicContact CE-CD2 3.56Å; M109-L129 HydrophobicContact CE-CG 3.95Å; V120-L129 PolarHBondContact O-N 2.86Å |
| 130 | H | 96.3 | Very high | 95.6 | Very high | 36 Ų | 36 | 63.7 Ų | 63.7 | 17% | 0.167 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 144.9 | -176.5 | -52.5 | -55.5 | 0 | 0 | 0 | 113.1 | Y66 V120 W169 | Y66-H130 AromaticContact CZ-NE2 3.96Å; V120-H130 HydrophobicContact CB-CB 4.14Å; V120-H130 HydrophobicContact CG2-CB 4.39Å; V120-H130 PolarHBondContact N-O 2.87Å; V120-H130 PolarHBondContact O-N 3.47Å; V120-H130 VanDerWaalsContact O-N 3.14Å; H130-W169 AromaticContact CE1-CZ3 3.51Å; H130-W169 AromaticContact ND1-CZ3 3.74Å; H130-W169 AromaticContact NE2-CZ3 4Å |
| 131 | R | 97.3 | Very high | 95.5 | Very high | 180 Ų | 180 | 65 Ų | 65 | 68% | 0.679 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 117.7 | 166.6 | -67.3 | 178.7 | 179.1 | -97.6 | -0.1 | 107.3 | V128 P133 | V128-R131 HydrophobicContact CG1-CG 3.88Å; R131-P133 WeakPolarHBondContact O-CD 3.46Å |
| 132 | H | 97.6 | Very high | 95.4 | Very high | 12 Ų | 12 | 67.4 Ų | 67.4 | 6% | 0.056 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 95.1 | 179 | -54.1 | -52.6 | 0 | 0 | 0 | 107.8 | G117 V118 I137 L156 T158 W169 Y171 | G117-H132 WeakPolarHBondContact CA-O 3.45Å; V118-H132 HydrophobicContact CB-CB 4.28Å; V118-H132 PolarHBondContact N-O 3.39Å; V118-H132 PolarHBondContact O-N 3.16Å; H132-I137 HydrophobicContact CB-CD1 4.3Å; H132-I137 HydrophobicContact CB-CG1 4.26Å; H132-L156 HydrophobicContact CB-CD2 4.04Å; H132-L156 WeakPolarHBondContact CD2-CD2 3.15Å; H132-T158 HydrophobicContact CB-CG2 4.18Å; H132-W169 AromaticContact CE1-CD1 3.72Å; H132-W169 AromaticContact CE1-CD2 3.48Å; H132-W169 VanDerWaalsContact CE1-CD2 3.48Å; H132-W169 AromaticContact CE1-CE2 3.36Å; H132-W169 AromaticContact CE1-CG 3.76Å; H132-W169 AromaticContact CE1-CZ2 3.88Å; H132-W169 AromaticContact CE1-NE1 3.47Å; H132-W169 PolarHBondContact CE1-NE1 2.83Å; H132-W169 AromaticContact ND1-NE1 3.85Å; H132-W169 AromaticContact NE2-CD2 3.92Å; H132-W169 AromaticContact NE2-CG 3.86Å; H132-Y171 PolarHBondContact NE2-OH 3.46Å; H132-Y171 VanDerWaalsContact NE2-OH 3.15Å |
| 133 | P | 96.9 | Very high | 95.4 | Very high | 44 Ų | 44 | 68 Ų | 68 | 29% | 0.286 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 141.7 | -178.3 | -22.2 | 33.7 | 0 | 0 | 0 | 111.2 | R131 Y135 L136 I137 | R131-P133 WeakPolarHBondContact O-CD 3.46Å; P133-Y135 HydrophobicContact CB-CD1 3.66Å; P133-Y135 HydrophobicContact CB-CE1 3.42Å; P133-Y135 VanDerWaalsContact CB-CE1 3.42Å; P133-Y135 HydrophobicContact CG-CE1 4.16Å; P133-Y135 PolarHBondContact O-N 2.85Å; P133-Y135 VanDerWaalsContact O-N 3.09Å; P133-L136 HydrophobicContact CG-CD1 4.16Å; P133-L136 PolarHBondContact O-N 3.39Å; P133-I137 PolarHBondContact O-N 3.36Å |
| 134 | L | 95.9 | Very high | 95.4 | Very high | 15 Ų | 15 | 68 Ų | 68 | 8% | 0.079 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -53.9 | -38.1 | -173.9 | -167.9 | 66.5 | 0 | 0 | 0 | 113 | Y116 L136 I137 L186 F190 V193 | Y116-L134 PolarHBondContact O-N 2.86Å; L134-L136 VanDerWaalsContact C-N 3.27Å; L134-L136 PolarHBondContact O-N 3.45Å; L134-I137 PolarHBondContact O-N 3.17Å; L134-L186 HydrophobicContact CD1-CD1 3.63Å; L134-F190 HydrophobicContact CD1-CD1 3.82Å; L134-F190 HydrophobicContact CD1-CD2 4.24Å; L134-F190 HydrophobicContact CD1-CE1 3.58Å; L134-F190 HydrophobicContact CD1-CE2 4.03Å; L134-F190 HydrophobicContact CD1-CG 4.15Å; L134-F190 HydrophobicContact CD1-CZ 3.7Å; L134-F190 HydrophobicContact CD2-CD1 4.1Å; L134-F190 HydrophobicContact CD2-CE1 4.44Å; L134-F190 HydrophobicContact CG-CD1 3.79Å; L134-F190 HydrophobicContact CG-CE1 3.63Å; L134-F190 HydrophobicContact CG-CZ 4.25Å; L134-F190 WeakPolarHBondContact O-CE1 3.14Å; L134-V193 HydrophobicContact CD2-CB 4.45Å; L134-V193 HydrophobicContact CD2-CG2 3.84Å |
| 135 | Y | 95 | Very high | 95.3 | Very high | 175 Ų | 175 | 64 Ų | 64 | 69% | 0.686 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -72.2 | -11.3 | 179.8 | 77.9 | -88 | 0 | 0 | 0 | 115.1 | P133 | P133-Y135 HydrophobicContact CB-CD1 3.66Å; P133-Y135 HydrophobicContact CB-CE1 3.42Å; P133-Y135 VanDerWaalsContact CB-CE1 3.42Å; P133-Y135 HydrophobicContact CG-CE1 4.16Å; P133-Y135 PolarHBondContact O-N 2.85Å; P133-Y135 VanDerWaalsContact O-N 3.09Å |
| 136 | L | 95.8 | Very high | 95.4 | Very high | 29 Ų | 29 | 63.1 Ų | 63.1 | 15% | 0.152 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -101.8 | -7.5 | 175.7 | -66.4 | -175.2 | 0 | 0 | 0 | 113 | P133 L134 M138 T158 T159 | P133-L136 HydrophobicContact CG-CD1 4.16Å; P133-L136 PolarHBondContact O-N 3.39Å; L134-L136 VanDerWaalsContact C-N 3.27Å; L134-L136 PolarHBondContact O-N 3.45Å; L136-M138 PolarHBondContact O-N 2.84Å; L136-T158 CarbonylContact O-C 3.54Å; L136-T158 WeakPolarHBondContact O-CA 3.43Å; L136-T159 PolarHBondContact O-N 3.45Å |
| 137 | I | 95.8 | Very high | 95.4 | Very high | 12 Ų | 12 | 62.6 Ų | 62.6 | 6% | 0.062 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 113.2 | 176.4 | -63.9 | 170.8 | 0 | 0 | 0 | 108.6 | V118 H132 P133 L134 L156 T158 L186 F190 | V118-I137 HydrophobicContact CG2-CD1 3.93Å; H132-I137 HydrophobicContact CB-CD1 4.3Å; H132-I137 HydrophobicContact CB-CG1 4.26Å; P133-I137 PolarHBondContact O-N 3.36Å; L134-I137 PolarHBondContact O-N 3.17Å; I137-L156 HydrophobicContact CB-CD1 4.47Å; I137-L156 HydrophobicContact CD1-CD1 4.17Å; I137-L156 HydrophobicContact CG1-CD1 4.12Å; I137-L156 HydrophobicContact CG2-CD1 3.57Å; I137-T158 HydrophobicContact CG1-CG2 4.28Å; I137-L186 HydrophobicContact CD1-CD1 4.13Å; I137-L186 HydrophobicContact CG2-CD2 4.26Å; I137-F190 HydrophobicContact CB-CZ 4.14Å; I137-F190 HydrophobicContact CG2-CZ 4.1Å |
| 138 | M | 93.3 | Very high | 95.1 | Very high | 86 Ų | 86 | 60.8 Ų | 60.8 | 42% | 0.424 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | -39.8 | 175.8 | -54.5 | -175.1 | 85.8 | 0 | 0 | 111.8 | L136 K157 T159 C166 | L136-M138 PolarHBondContact O-N 2.84Å; M138-K157 HydrophobicContact CB-CD 4.39Å; M138-K157 HydrophobicContact CB-CG 4.36Å; M138-K157 WeakPolarHBondContact CB-O 3.24Å; M138-K157 PolarHBondContact N-O 3.37Å; M138-K157 HydrophobicContact SD-CD 4.06Å; M138-K157 HydrophobicContact SD-CG 4.13Å; M138-T159 HydrophobicContact CG-CG2 3.94Å; M138-T159 HydrophobicContact SD-CG2 4.36Å; M138-C166 HydrophobicContact SD-CB 4.33Å |
| 139 | R | 94.3 | Very high | 94.7 | Very high | 83 Ų | 83 | 61 Ų | 61 | 31% | 0.313 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.9 | 152.5 | -179.2 | -174.1 | 173.6 | -68.5 | 164.7 | -0.2 | 110.5 | Q82 L141 K157 | Q82-R139 PolarHBondContact O-NH1 2.84Å; Q82-R139 PolarHBondContact O-NH2 2.74Å; R139-L141 HydrophobicContact CG-CD2 4.23Å; R139-L141 HydrophobicContact CG-CG 4.23Å; R139-K157 PolarHBondContact N-O 2.85Å; R139-K157 PolarHBondContact O-N 3.17Å |
| 140 | M | 96.7 | Very high | 94.3 | Very high | 25 Ų | 25 | 58.6 Ų | 58.6 | 12% | 0.123 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 140.9 | 159 | -164.8 | 166.1 | 68.1 | 0 | 0 | 109.2 | L154 A155 L156 I182 C183 L186 | M140-L154 HydrophobicContact CE-CD1 4.14Å; M140-L154 HydrophobicContact CG-CD1 3.81Å; M140-L154 HydrophobicContact CG-CG 4.03Å; M140-L154 HydrophobicContact SD-CD1 3.86Å; M140-L154 HydrophobicContact SD-CD2 3.88Å; M140-L154 HydrophobicContact SD-CG 3.98Å; M140-A155 CarbonylContact C-O 3.51Å; M140-A155 WeakPolarHBondContact CA-O 3.39Å; M140-L156 HydrophobicContact CB-CD1 3.86Å; M140-L156 HydrophobicContact CG-CB 4.49Å; M140-L156 HydrophobicContact CG-CD1 3.94Å; M140-L156 HydrophobicContact SD-CD1 3.96Å; M140-I182 HydrophobicContact CE-CG2 3.63Å; M140-I182 HydrophobicContact SD-CG2 4.12Å; M140-C183 HydrophobicContact CE-CB 4.32Å; M140-L186 HydrophobicContact CB-CD2 3.72Å; M140-L186 HydrophobicContact CE-CB 3.69Å; M140-L186 HydrophobicContact CE-CD2 3.49Å; M140-L186 VanDerWaalsContact CE-CD2 3.49Å; M140-L186 HydrophobicContact CE-CG 4.22Å; M140-L186 HydrophobicContact CG-CD2 4.43Å; M140-L186 HydrophobicContact SD-CD2 3.84Å |
| 141 | L | 95.9 | Very high | 94.1 | Very high | 28 Ų | 28 | 60.5 Ų | 60.5 | 15% | 0.147 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 147.2 | 175.1 | -67.7 | 178.9 | 0 | 0 | 0 | 109.9 | P84 L87 I88 R139 L154 A155 | P84-L141 HydrophobicContact CB-CD1 4.04Å; P84-L141 HydrophobicContact CB-CD2 3.96Å; P84-L141 HydrophobicContact CG-CD2 4.41Å; L87-L141 HydrophobicContact CB-CD1 4.09Å; L87-L141 HydrophobicContact CD2-CD1 3.82Å; L87-L141 HydrophobicContact CD2-CG 4.43Å; L87-L141 HydrophobicContact CG-CD1 4.2Å; I88-L141 HydrophobicContact CG1-CD1 4.44Å; R139-L141 HydrophobicContact CG-CD2 4.23Å; R139-L141 HydrophobicContact CG-CG 4.23Å; L141-L154 CarbonylContact O-C 3.54Å; L141-L154 WeakPolarHBondContact O-CA 3.3Å; L141-A155 HydrophobicContact CB-CB 4.46Å; L141-A155 PolarHBondContact N-O 3.09Å; L141-A155 PolarHBondContact O-N 3.45Å |
| 142 | C | 96.1 | Very high | 94.1 | Very high | 49 Ų | 49 | 52.8 Ų | 52.8 | 33% | 0.331 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 130.7 | 165.1 | 56.1 | 0 | 0 | 0 | 0 | 109.7 | L153 L154 A179 C183 | C142-L153 VanDerWaalsContact CA-O 3.3Å; C142-L153 WeakPolarHBondContact CA-O 3.41Å; C142-L154 HydrophobicContact CB-CD1 4.27Å; C142-A179 HydrophobicContact CB-CB 3.74Å; C142-C183 VanDerWaalsContact SG-SG 3.66Å |
| 143 | Y | 96.4 | Very high | 94.1 | Very high | 25 Ų | 25 | 52.3 Ų | 52.3 | 10% | 0.098 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 160.5 | 178.7 | 70.7 | -75.9 | 0 | 0 | 0 | 111.7 | I88 I91 D92 N152 L153 A155 | I88-Y143 HydrophobicContact CB-CE2 4.36Å; I88-Y143 HydrophobicContact CD1-CD1 4.3Å; I88-Y143 HydrophobicContact CD1-CD2 4.2Å; I88-Y143 HydrophobicContact CD1-CG 3.96Å; I88-Y143 HydrophobicContact CG1-CD1 3.92Å; I88-Y143 HydrophobicContact CG1-CD2 4.05Å; I88-Y143 HydrophobicContact CG1-CE1 3.98Å; I88-Y143 HydrophobicContact CG1-CE2 4.11Å; I88-Y143 HydrophobicContact CG1-CG 3.94Å; I88-Y143 HydrophobicContact CG2-CD2 3.94Å; I88-Y143 HydrophobicContact CG2-CE2 3.62Å; I91-Y143 HydrophobicContact CD1-CE1 4.47Å; I91-Y143 VanDerWaalsContact CG2-OH 3.29Å; I91-Y143 WeakPolarHBondContact CG2-OH 3.12Å; D92-Y143 PolarHBondContact OD1-OH 2.76Å; Y143-N152 CarbonylContact O-C 3.58Å; Y143-N152 VanDerWaalsContact O-CA 3.23Å; Y143-N152 WeakPolarHBondContact O-CA 3.42Å; Y143-L153 HydrophobicContact CD1-CB 4.16Å; Y143-L153 HydrophobicContact CE1-CB 3.84Å; Y143-L153 HydrophobicContact CE1-CD1 4.46Å; Y143-L153 HydrophobicContact CE2-CD1 4.29Å; Y143-L153 PolarHBondContact N-O 2.96Å; Y143-L153 PolarHBondContact O-N 3.25Å; Y143-A155 HydrophobicContact CE1-CB 4.31Å |
| 144 | D | 95.6 | Very high | 94.1 | Very high | 78 Ų | 78 | 50.3 Ų | 50.3 | 42% | 0.417 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 141.2 | 174.9 | -168.6 | -87.6 | 0 | 0 | 0 | 110.4 | G146 G150 K151 | D144-G146 PolarHBondContact O-N 2.77Å; D144-G146 PolarHBondContact OD1-N 3.26Å; D144-G150 WeakPolarHBondContact OD2-CA 3.38Å; D144-K151 CarbonylContact C-O 3.58Å; D144-K151 WeakPolarHBondContact CA-O 3.38Å |
| 145 | D | 92.8 | Very high | 94.2 | Very high | 23 Ų | 23 | 49.6 Ų | 49.6 | 12% | 0.123 | 29% | 0.294 | C | S | . | . | trans | -68.2 | -14 | -176 | 75.3 | -4.9 | 0 | 0 | 0 | 114.2 | L147 K151 L153 | D145-L147 HydrophobicContact CB-CD1 4.49Å; D145-L147 HydrophobicContact CB-CG 4.18Å; D145-L147 PolarHBondContact O-N 3.42Å; D145-L147 VanDerWaalsContact O-N 3.11Å; D145-L147 PolarHBondContact OD1-N 3.16Å; D145-K151 PolarHBondContact N-O 3.4Å; D145-K151 WeakPolarHBondContact OD2-CB 3.47Å; D145-L153 HydrophobicContact CB-CD1 4.24Å; D145-L153 HydrophobicContact CB-CG 4.13Å | ||
| 146 | G | 92.1 | Very high | 94.3 | Very high | 65 Ų | 65 | 41.3 Ų | 41.3 | 67% | 0.67 | 26% | 0.261 | S | S | * | . | S | Bend | trans | 69.5 | 1.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D144 G148 | D144-G146 PolarHBondContact O-N 2.77Å; D144-G146 PolarHBondContact OD1-N 3.26Å; G146-G148 PolarHBondContact O-N 3.09Å |
| 147 | L | 91.3 | Very high | 94.4 | Very high | 85 Ų | 85 | 40.3 Ų | 40.3 | 45% | 0.445 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -83.2 | 1.8 | -179.2 | -53.4 | -176.7 | 0 | 0 | 0 | 112.3 | F102 D145 A149 | F102-L147 HydrophobicContact CB-CD1 4.16Å; F102-L147 HydrophobicContact CD1-CD1 4.39Å; F102-L147 HydrophobicContact CD1-CD2 4.15Å; D145-L147 HydrophobicContact CB-CD1 4.49Å; D145-L147 HydrophobicContact CB-CG 4.18Å; D145-L147 PolarHBondContact O-N 3.42Å; D145-L147 VanDerWaalsContact O-N 3.11Å; D145-L147 PolarHBondContact OD1-N 3.16Å; L147-A149 PolarHBondContact O-N 2.99Å |
| 148 | G | 89.3 | Confident | 94.3 | Very high | 76 Ų | 76 | 40.2 Ų | 40.2 | 78% | 0.784 | 26% | 0.256 | S | S | * | . | S | Bend | trans | 79 | -1.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | G146 G150 | G146-G148 PolarHBondContact O-N 3.09Å; G148-G150 VanDerWaalsContact C-N 3.32Å |
| 149 | A | 88.7 | Confident | 94.4 | Very high | 66 Ų | 66 | 36.8 Ų | 36.8 | 55% | 0.545 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -84.9 | -4.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L147 K151 | L147-A149 PolarHBondContact O-N 2.99Å; A149-K151 HydrophobicContact CB-CG 4.06Å; A149-K151 PolarHBondContact O-N 3.48Å |
| 150 | G | 86.5 | Confident | 94.3 | Very high | 39 Ų | 39 | 35 Ų | 35 | 40% | 0.402 | 24% | 0.236 | S | C | . | . | trans | 64.8 | 26 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D144 G148 N152 | D144-G150 WeakPolarHBondContact OD2-CA 3.38Å; G148-G150 VanDerWaalsContact C-N 3.32Å; G150-N152 PolarHBondContact O-ND2 2.97Å | ||
| 151 | K | 93.5 | Very high | 93.9 | Very high | 76 Ų | 76 | 37.8 Ų | 37.8 | 33% | 0.33 | 26% | 0.263 | S | S | . | . | trans | -82.8 | 141.9 | 178.3 | -58.5 | -51.9 | -175.9 | -170.7 | 0 | 109.4 | D144 D145 A149 Q172 | D144-K151 CarbonylContact C-O 3.58Å; D144-K151 WeakPolarHBondContact CA-O 3.38Å; D145-K151 PolarHBondContact N-O 3.4Å; D145-K151 WeakPolarHBondContact OD2-CB 3.47Å; A149-K151 HydrophobicContact CB-CG 4.06Å; A149-K151 PolarHBondContact O-N 3.48Å; K151-Q172 HydrophobicContact CB-CG 4.07Å | ||
| 152 | N | 96.4 | Very high | 93.6 | Very high | 17 Ų | 17 | 43.6 Ų | 43.6 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 118.7 | -176.1 | -85.4 | -123.2 | 0 | 0 | 0 | 108.8 | Y143 G150 C173 A176 A179 | Y143-N152 CarbonylContact O-C 3.58Å; Y143-N152 VanDerWaalsContact O-CA 3.23Å; Y143-N152 WeakPolarHBondContact O-CA 3.42Å; G150-N152 PolarHBondContact O-ND2 2.97Å; N152-C173 HydrophobicContact CB-CB 4.44Å; N152-C173 WeakPolarHBondContact O-CB 3.32Å; N152-C173 PolarHBondContact O-N 3.05Å; N152-A176 WeakPolarHBondContact OD1-CA 3.39Å; N152-A176 WeakPolarHBondContact OD1-CB 3.32Å; N152-A179 HydrophobicContact CB-CB 4.01Å |
| 153 | L | 97.4 | Very high | 92.9 | Very high | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 138.8 | 174.4 | -62.6 | -177.6 | 0 | 0 | 0 | 110 | V67 C142 Y143 D145 V170 Y171 Q172 | V67-L153 HydrophobicContact CG2-CD2 4.05Å; C142-L153 VanDerWaalsContact CA-O 3.3Å; C142-L153 WeakPolarHBondContact CA-O 3.41Å; Y143-L153 HydrophobicContact CD1-CB 4.16Å; Y143-L153 HydrophobicContact CE1-CB 3.84Å; Y143-L153 HydrophobicContact CE1-CD1 4.46Å; Y143-L153 HydrophobicContact CE2-CD1 4.29Å; Y143-L153 PolarHBondContact N-O 2.96Å; Y143-L153 PolarHBondContact O-N 3.25Å; D145-L153 HydrophobicContact CB-CD1 4.24Å; D145-L153 HydrophobicContact CB-CG 4.13Å; L153-V170 HydrophobicContact CB-CG1 4.46Å; L153-V170 HydrophobicContact CD1-CG1 4.47Å; L153-V170 HydrophobicContact CD2-CG1 4.3Å; L153-Y171 CarbonylContact C-O 3.56Å; L153-Y171 WeakPolarHBondContact CA-O 3.4Å; L153-Q172 HydrophobicContact CD2-CB 4.16Å; L153-Q172 HydrophobicContact CD2-CG 4.25Å |
| 154 | L | 97.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 105.7 | 174.2 | -172.5 | 80.7 | 0 | 0 | 0 | 108 | L111 M140 L141 C142 Y171 I182 | L111-L154 HydrophobicContact CD1-CD2 3.9Å; M140-L154 HydrophobicContact CE-CD1 4.14Å; M140-L154 HydrophobicContact CG-CD1 3.81Å; M140-L154 HydrophobicContact CG-CG 4.03Å; M140-L154 HydrophobicContact SD-CD1 3.86Å; M140-L154 HydrophobicContact SD-CD2 3.88Å; M140-L154 HydrophobicContact SD-CG 3.98Å; L141-L154 CarbonylContact O-C 3.54Å; L141-L154 WeakPolarHBondContact O-CA 3.3Å; C142-L154 HydrophobicContact CB-CD1 4.27Å; L154-Y171 HydrophobicContact CD2-CD2 4.41Å; L154-Y171 PolarHBondContact N-O 3.46Å; L154-Y171 PolarHBondContact O-N 2.83Å; L154-I182 HydrophobicContact CD1-CG2 4.13Å; L154-I182 HydrophobicContact CD2-CD1 4.37Å; L154-I182 HydrophobicContact CD2-CG2 3.63Å |
| 155 | A | 97.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 113.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | I91 M140 L141 Y143 | I91-A155 HydrophobicContact CD1-CB 3.45Å; I91-A155 VanDerWaalsContact CD1-CB 3.45Å; M140-A155 CarbonylContact C-O 3.51Å; M140-A155 WeakPolarHBondContact CA-O 3.39Å; L141-A155 HydrophobicContact CB-CB 4.46Å; L141-A155 PolarHBondContact N-O 3.09Å; L141-A155 PolarHBondContact O-N 3.45Å; Y143-A155 HydrophobicContact CE1-CB 4.31Å |
| 156 | L | 97.8 | Very high | 92.2 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 116.9 | 177.8 | -176.6 | 70 | 0 | 0 | 0 | 109.6 | H132 I137 M140 T158 I168 W169 Y171 | H132-L156 HydrophobicContact CB-CD2 4.04Å; H132-L156 WeakPolarHBondContact CD2-CD2 3.15Å; I137-L156 HydrophobicContact CB-CD1 4.47Å; I137-L156 HydrophobicContact CD1-CD1 4.17Å; I137-L156 HydrophobicContact CG1-CD1 4.12Å; I137-L156 HydrophobicContact CG2-CD1 3.57Å; M140-L156 HydrophobicContact CB-CD1 3.86Å; M140-L156 HydrophobicContact CG-CB 4.49Å; M140-L156 HydrophobicContact CG-CD1 3.94Å; M140-L156 HydrophobicContact SD-CD1 3.96Å; L156-T158 HydrophobicContact CD2-CG2 4.25Å; L156-T158 HydrophobicContact CG-CG2 4.17Å; L156-I168 WeakPolarHBondContact O-CA 3.29Å; L156-W169 HydrophobicContact CB-CB 4.36Å; L156-W169 PolarHBondContact N-O 3.34Å; L156-W169 PolarHBondContact O-N 3.39Å; L156-Y171 HydrophobicContact CB-CE2 4.49Å |
| 157 | K | 96 | Very high | 92.3 | Very high | 7 Ų | 7 | 47.6 Ų | 47.6 | 3% | 0.03 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 115.6 | 175 | -172.3 | -174.6 | -178.3 | -171.4 | 0 | 109.5 | S78 L81 L87 M138 R139 S167 | S78-K157 PolarHBondContact O-NZ 2.62Å; L81-K157 PolarHBondContact O-NZ 3.38Å; L87-K157 HydrophobicContact CD2-CB 4.11Å; L87-K157 HydrophobicContact CD2-CD 4.44Å; M138-K157 HydrophobicContact CB-CD 4.39Å; M138-K157 HydrophobicContact CB-CG 4.36Å; M138-K157 WeakPolarHBondContact CB-O 3.24Å; M138-K157 PolarHBondContact N-O 3.37Å; M138-K157 HydrophobicContact SD-CD 4.06Å; M138-K157 HydrophobicContact SD-CG 4.13Å; R139-K157 PolarHBondContact N-O 2.85Å; R139-K157 PolarHBondContact O-N 3.17Å; K157-S167 WeakPolarHBondContact CA-O 3.31Å |
| 158 | T | 95.5 | Very high | 92.6 | Very high | 11 Ų | 11 | 43.6 Ų | 43.6 | 7% | 0.067 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 161 | 175.1 | 61.6 | 0 | 0 | 0 | 0 | 111.3 | H132 L136 I137 L156 C166 S167 W169 | H132-T158 HydrophobicContact CB-CG2 4.18Å; L136-T158 CarbonylContact O-C 3.54Å; L136-T158 WeakPolarHBondContact O-CA 3.43Å; I137-T158 HydrophobicContact CG1-CG2 4.28Å; L156-T158 HydrophobicContact CD2-CG2 4.25Å; L156-T158 HydrophobicContact CG-CG2 4.17Å; T158-C166 CarbonylContact O-C 3.57Å; T158-C166 WeakPolarHBondContact O-CA 3.41Å; T158-C166 VanDerWaalsContact O-CB 3.26Å; T158-C166 WeakPolarHBondContact O-CB 3.36Å; T158-S167 PolarHBondContact N-O 2.88Å; T158-S167 PolarHBondContact O-N 2.86Å; T158-W169 PolarHBondContact OG1-NE1 3.47Å |
| 159 | T | 94.1 | Very high | 93 | Very high | 13 Ų | 13 | 41 Ų | 41 | 8% | 0.08 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 166.8 | 169.2 | -168.3 | 0 | 0 | 0 | 0 | 111 | L136 M138 Q163 D165 | L136-T159 PolarHBondContact O-N 3.45Å; M138-T159 HydrophobicContact CG-CG2 3.94Å; M138-T159 HydrophobicContact SD-CG2 4.36Å; T159-Q163 HydrophobicContact CG2-CG 4.15Å; T159-D165 VanDerWaalsContact CA-O 3.32Å; T159-D165 WeakPolarHBondContact CA-O 3.33Å; T159-D165 WeakPolarHBondContact CB-O 3.3Å; T159-D165 PolarHBondContact OG1-O 3.41Å |
| 160 | D | 92 | Very high | 93.5 | Very high | 46 Ų | 46 | 37.9 Ų | 37.9 | 25% | 0.246 | 21% | 0.205 | C | C | . | . | trans | -83.4 | 171.4 | 174.2 | 88.7 | -70.9 | 0 | 0 | 0 | 112.1 | K162 Q163 Q164 D165 | D160-K162 PolarHBondContact O-N 2.98Å; D160-K162 VanDerWaalsContact O-N 3.13Å; D160-K162 VanDerWaalsContact OD2-CB 3.27Å; D160-K162 WeakPolarHBondContact OD2-CB 3.3Å; D160-K162 PolarHBondContact OD2-N 2.96Å; D160-Q163 PolarHBondContact O-N 2.78Å; D160-Q163 VanDerWaalsContact O-N 3.07Å; D160-Q163 PolarHBondContact OD1-N 2.94Å; D160-Q164 PolarHBondContact OD1-N 3.35Å; D160-D165 PolarHBondContact N-O 2.85Å; D160-D165 PolarHBondContact OD1-N 3.19Å | ||
| 161 | A | 89.7 | Confident | 94 | Very high | 84 Ų | 84 | 36.1 Ų | 36.1 | 69% | 0.694 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -14.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 162 | K | 88.1 | Confident | 94.2 | Very high | 150 Ų | 150 | 33.6 Ų | 33.6 | 65% | 0.652 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99 | -7.5 | 175 | -55.2 | 174.7 | -175.2 | 169.1 | 0 | 113.6 | D160 Q164 | D160-K162 PolarHBondContact O-N 2.98Å; D160-K162 VanDerWaalsContact O-N 3.13Å; D160-K162 VanDerWaalsContact OD2-CB 3.27Å; D160-K162 WeakPolarHBondContact OD2-CB 3.3Å; D160-K162 PolarHBondContact OD2-N 2.96Å; K162-Q164 VanDerWaalsContact C-N 3.32Å; K162-Q164 HydrophobicContact CB-CB 4.34Å; K162-Q164 HydrophobicContact CB-CG 3.82Å; K162-Q164 PolarHBondContact O-N 2.78Å |
| 163 | Q | 83 | Confident | 94.3 | Very high | 130 Ų | 130 | 32.9 Ų | 32.9 | 61% | 0.607 | 17% | 0.172 | S | C | * | . | S | Bend | trans | 55.4 | 45.2 | -171.6 | -55.6 | -178.6 | -14.9 | 0 | 0 | 112.5 | F75 T159 D160 | F75-Q163 WeakPolarHBondContact CD2-O 3.36Å; F75-Q163 VanDerWaalsContact CE2-O 3.27Å; F75-Q163 WeakPolarHBondContact CE2-O 3.49Å; T159-Q163 HydrophobicContact CG2-CG 4.15Å; D160-Q163 PolarHBondContact O-N 2.78Å; D160-Q163 VanDerWaalsContact O-N 3.07Å; D160-Q163 PolarHBondContact OD1-N 2.94Å |
| 164 | Q | 85.9 | Confident | 94.1 | Very high | 113 Ų | 113 | 36.2 Ų | 36.2 | 53% | 0.528 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -112.3 | -26.7 | 179 | -69.2 | -176.5 | -22 | 0 | 0 | 112.8 | F75 D160 K162 | F75-Q164 WeakPolarHBondContact CA-O 3.42Å; F75-Q164 VanDerWaalsContact CB-O 3.29Å; F75-Q164 WeakPolarHBondContact CB-O 3.33Å; F75-Q164 PolarHBondContact N-O 2.99Å; D160-Q164 PolarHBondContact OD1-N 3.35Å; K162-Q164 VanDerWaalsContact C-N 3.32Å; K162-Q164 HydrophobicContact CB-CB 4.34Å; K162-Q164 HydrophobicContact CB-CG 3.82Å; K162-Q164 PolarHBondContact O-N 2.78Å |
| 165 | D | 90.8 | Very high | 93.9 | Very high | 63 Ų | 63 | 37.9 Ų | 37.9 | 34% | 0.337 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 154.1 | 173.5 | -69.7 | -44.7 | 0 | 0 | 0 | 110.8 | L73 T159 D160 | L73-D165 WeakPolarHBondContact O-CA 3.46Å; T159-D165 VanDerWaalsContact CA-O 3.32Å; T159-D165 WeakPolarHBondContact CA-O 3.33Å; T159-D165 WeakPolarHBondContact CB-O 3.3Å; T159-D165 PolarHBondContact OG1-O 3.41Å; D160-D165 PolarHBondContact N-O 2.85Å; D160-D165 PolarHBondContact OD1-N 3.19Å |
| 166 | C | 92.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.007 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 156.5 | 162.5 | 70.8 | 0 | 0 | 0 | 0 | 112.2 | K72 L73 S78 M138 T158 | K72-C166 PolarHBondContact N-O 2.97Å; L73-C166 WeakPolarHBondContact CB-O 3.32Å; L73-C166 PolarHBondContact N-O 2.98Å; L73-C166 PolarHBondContact O-N 2.78Å; S78-C166 WeakPolarHBondContact CB-SG 3.45Å; M138-C166 HydrophobicContact SD-CB 4.33Å; T158-C166 CarbonylContact O-C 3.57Å; T158-C166 WeakPolarHBondContact O-CA 3.41Å; T158-C166 VanDerWaalsContact O-CB 3.26Å; T158-C166 WeakPolarHBondContact O-CB 3.36Å |
| 167 | S | 95.3 | Very high | 93.7 | Very high | 17 Ų | 17 | 45.4 Ų | 45.4 | 12% | 0.119 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 145.2 | 173.3 | -59.9 | 0 | 0 | 0 | 0 | 109.7 | I70 E71 K72 K157 T158 | I70-S167 CarbonylContact O-C 3.54Å; I70-S167 VanDerWaalsContact O-CA 3.28Å; I70-S167 WeakPolarHBondContact O-CA 3.48Å; E71-S167 WeakPolarHBondContact CA-OG 3.4Å; K72-S167 PolarHBondContact N-OG 3.2Å; K157-S167 WeakPolarHBondContact CA-O 3.31Å; T158-S167 PolarHBondContact N-O 2.88Å; T158-S167 PolarHBondContact O-N 2.86Å |
| 168 | I | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 121.7 | 177.7 | -55.9 | 165.8 | 0 | 0 | 0 | 107.5 | A69 I70 L73 L81 L87 Y90 I91 L156 V170 | A69-I168 CarbonylContact C-O 3.51Å; A69-I168 WeakPolarHBondContact CA-O 3.32Å; A69-I168 WeakPolarHBondContact CB-O 3.29Å; I70-I168 HydrophobicContact CB-CB 4.46Å; I70-I168 PolarHBondContact N-O 3.21Å; I70-I168 PolarHBondContact O-N 2.73Å; L73-I168 HydrophobicContact CD1-CD1 3.6Å; L73-I168 HydrophobicContact CD1-CG1 4.06Å; L81-I168 HydrophobicContact CD1-CD1 4.16Å; L87-I168 HydrophobicContact CD1-CD1 3.56Å; L87-I168 HydrophobicContact CD1-CG1 3.92Å; L87-I168 HydrophobicContact CD1-CG2 4.15Å; Y90-I168 HydrophobicContact CD1-CD1 3.63Å; Y90-I168 HydrophobicContact CE1-CD1 3.84Å; I91-I168 HydrophobicContact CD1-CG2 3.91Å; I91-I168 HydrophobicContact CG1-CG2 4.03Å; L156-I168 WeakPolarHBondContact O-CA 3.29Å; I168-V170 HydrophobicContact CG2-CG2 4.13Å |
| 169 | W | 98.1 | Very high | 93.8 | Very high | 23 Ų | 23 | 46 Ų | 46 | 9% | 0.087 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 128.4 | 177.9 | -44.8 | 85 | 0 | 0 | 0 | 108.7 | A69 E71 H130 H132 L156 T158 Y171 | A69-W169 HydrophobicContact CB-CD2 3.98Å; A69-W169 HydrophobicContact CB-CE3 3.38Å; A69-W169 HydrophobicContact CB-CZ3 3.71Å; E71-W169 HydrophobicContact CG-CH2 3.95Å; E71-W169 HydrophobicContact CG-CZ2 4.37Å; E71-W169 HydrophobicContact CG-CZ3 4.49Å; H130-W169 AromaticContact CE1-CZ3 3.51Å; H130-W169 AromaticContact ND1-CZ3 3.74Å; H130-W169 AromaticContact NE2-CZ3 4Å; H132-W169 AromaticContact CE1-CD1 3.72Å; H132-W169 AromaticContact CE1-CD2 3.48Å; H132-W169 VanDerWaalsContact CE1-CD2 3.48Å; H132-W169 AromaticContact CE1-CE2 3.36Å; H132-W169 AromaticContact CE1-CG 3.76Å; H132-W169 AromaticContact CE1-CZ2 3.88Å; H132-W169 AromaticContact CE1-NE1 3.47Å; H132-W169 PolarHBondContact CE1-NE1 2.83Å; H132-W169 AromaticContact ND1-NE1 3.85Å; H132-W169 AromaticContact NE2-CD2 3.92Å; H132-W169 AromaticContact NE2-CG 3.86Å; L156-W169 HydrophobicContact CB-CB 4.36Å; L156-W169 PolarHBondContact N-O 3.34Å; L156-W169 PolarHBondContact O-N 3.39Å; T158-W169 PolarHBondContact OG1-NE1 3.47Å; W169-Y171 HydrophobicContact CB-CE2 3.71Å |
| 170 | V | 98.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 124.1 | -174.9 | -172.4 | 0 | 0 | 0 | 0 | 110.1 | Y66 V67 G68 I91 L100 L153 I168 | Y66-V170 WeakPolarHBondContact CD2-O 3.43Å; V67-V170 HydrophobicContact CB-CB 4.05Å; V67-V170 HydrophobicContact CB-CG1 3.89Å; V67-V170 WeakPolarHBondContact CB-O 3.19Å; V67-V170 HydrophobicContact CG1-CG1 4.23Å; V67-V170 HydrophobicContact CG2-CG1 4.01Å; V67-V170 PolarHBondContact N-O 3.24Å; G68-V170 PolarHBondContact N-O 2.9Å; G68-V170 PolarHBondContact O-N 3.03Å; I91-V170 HydrophobicContact CD1-CG2 4.07Å; I91-V170 HydrophobicContact CG1-CG2 4.29Å; I91-V170 HydrophobicContact CG2-CG2 4.18Å; L100-V170 HydrophobicContact CD1-CG2 3.99Å; L153-V170 HydrophobicContact CB-CG1 4.46Å; L153-V170 HydrophobicContact CD1-CG1 4.47Å; L153-V170 HydrophobicContact CD2-CG1 4.3Å; I168-V170 HydrophobicContact CG2-CG2 4.13Å |
| 171 | Y | 98.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 0% | 0.004 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 150.6 | 176.8 | -49.3 | -85.2 | 0 | 0 | 0 | 109.5 | V64 K65 Y66 L111 V120 H132 L153 L154 L156 W169 | V64-Y171 HydrophobicContact CG2-CD1 4.16Å; V64-Y171 HydrophobicContact CG2-CG 4.43Å; K65-Y171 CarbonylContact O-C 3.54Å; K65-Y171 WeakPolarHBondContact O-CA 3.34Å; Y66-Y171 AromaticContact CD2-CD1 3.71Å; Y66-Y171 HydrophobicContact CD2-CD1 3.71Å; Y66-Y171 AromaticContact CD2-CE1 3.5Å; Y66-Y171 HydrophobicContact CD2-CE1 3.5Å; Y66-Y171 VanDerWaalsContact CD2-CE1 3.5Å; Y66-Y171 AromaticContact CE2-CE1 3.99Å; Y66-Y171 HydrophobicContact CE2-CE1 3.99Å; Y66-Y171 HydrophobicContact CG-CE1 4.42Å; L111-Y171 HydrophobicContact CD1-CD2 4.13Å; L111-Y171 HydrophobicContact CD1-CE2 4.43Å; L111-Y171 HydrophobicContact CD1-CG 4.19Å; V120-Y171 HydrophobicContact CG1-CE1 4.24Å; V120-Y171 HydrophobicContact CG2-CE1 3.99Å; H132-Y171 PolarHBondContact NE2-OH 3.46Å; H132-Y171 VanDerWaalsContact NE2-OH 3.15Å; L153-Y171 CarbonylContact C-O 3.56Å; L153-Y171 WeakPolarHBondContact CA-O 3.4Å; L154-Y171 HydrophobicContact CD2-CD2 4.41Å; L154-Y171 PolarHBondContact N-O 3.46Å; L154-Y171 PolarHBondContact O-N 2.83Å; L156-Y171 HydrophobicContact CB-CE2 4.49Å; W169-Y171 HydrophobicContact CB-CE2 3.71Å |
| 172 | Q | 98 | Very high | 94.5 | Very high | 24 Ų | 24 | 46.8 Ų | 46.8 | 11% | 0.112 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 123.3 | 173.3 | -170.2 | -163.1 | -96.5 | 0 | 0 | 109.5 | K65 V67 P104 K151 L153 | K65-Q172 HydrophobicContact CB-CB 4.4Å; K65-Q172 PolarHBondContact N-O 3.2Å; K65-Q172 PolarHBondContact O-N 2.95Å; V67-Q172 HydrophobicContact CG2-CB 4.09Å; P104-Q172 VanDerWaalsContact CD-OE1 3.22Å; P104-Q172 HydrophobicContact CG-CB 3.91Å; P104-Q172 HydrophobicContact CG-CG 4.41Å; K151-Q172 HydrophobicContact CB-CG 4.07Å; L153-Q172 HydrophobicContact CD2-CB 4.16Å; L153-Q172 HydrophobicContact CD2-CG 4.25Å |
| 173 | C | 97.2 | Very high | 94.9 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.007 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 156.3 | 173.8 | -64.8 | 0 | 0 | 0 | 0 | 111.2 | N152 Q178 A179 | N152-C173 HydrophobicContact CB-CB 4.44Å; N152-C173 WeakPolarHBondContact O-CB 3.32Å; N152-C173 PolarHBondContact O-N 3.05Å; C173-Q178 HydrophobicContact CB-CB 4.48Å; C173-A179 HydrophobicContact CB-CB 3.96Å |
| 174 | S | 93.1 | Very high | 95.5 | Very high | 73 Ų | 73 | 42.5 Ų | 42.5 | 51% | 0.51 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -70.4 | -32.5 | 175.4 | 54.9 | 0 | 0 | 0 | 0 | 112.8 | Q178 | S174-Q178 VanDerWaalsContact OG-CD 3.23Å; S174-Q178 PolarHBondContact OG-OE1 3.02Å |
| 175 | S | 94.4 | Very high | 96 | Very high | 36 Ų | 36 | 38.6 Ų | 38.6 | 25% | 0.252 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -151.3 | 170.8 | 175.2 | 85.1 | 0 | 0 | 0 | 0 | 112.8 | E177 Q178 A179 | S175-E177 WeakPolarHBondContact CB-OE2 3.29Å; S175-E177 PolarHBondContact OG-N 2.72Å; S175-E177 PolarHBondContact OG-OE2 3.43Å; S175-Q178 PolarHBondContact O-N 3.32Å; S175-Q178 PolarHBondContact OG-N 3.22Å; S175-A179 PolarHBondContact O-N 3.38Å |
| 176 | A | 94.8 | Very high | 96.3 | Very high | 28 Ų | 28 | 35.8 Ų | 35.8 | 23% | 0.231 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.3 | -38.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N152 Q178 A179 Q180 | N152-A176 WeakPolarHBondContact OD1-CA 3.39Å; N152-A176 WeakPolarHBondContact OD1-CB 3.32Å; A176-Q178 VanDerWaalsContact C-N 3.29Å; A176-Q178 PolarHBondContact O-N 2.89Å; A176-A179 PolarHBondContact O-N 3.27Å; A176-Q180 WeakPolarHBondContact O-CB 3.46Å; A176-Q180 WeakPolarHBondContact O-CG 3.24Å; A176-Q180 PolarHBondContact O-N 2.92Å |
| 177 | E | 96.2 | Very high | 96.4 | Very high | 133 Ų | 133 | 39 Ų | 39 | 62% | 0.621 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -63.1 | -37.5 | 177.6 | -55.2 | 75 | -164.4 | 0 | 0 | 111.1 | S175 A181 | S175-E177 WeakPolarHBondContact CB-OE2 3.29Å; S175-E177 PolarHBondContact OG-N 2.72Å; S175-E177 PolarHBondContact OG-OE2 3.43Å; E177-A181 VanDerWaalsContact O-CB 3.29Å; E177-A181 WeakPolarHBondContact O-CB 3.49Å; E177-A181 PolarHBondContact O-N 2.91Å |
| 178 | Q | 96.8 | Very high | 96.4 | Very high | 31 Ų | 31 | 40.3 Ų | 40.3 | 15% | 0.145 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.9 | -46.7 | 174.3 | -166.5 | -166.6 | 37.4 | 0 | 0 | 111.3 | F62 R63 C173 S174 S175 A176 Q180 A181 I182 | F62-Q178 HydrophobicContact CD1-CG 3.99Å; R63-Q178 PolarHBondContact O-NE2 3.03Å; R63-Q178 PolarHBondContact O-OE1 3.35Å; C173-Q178 HydrophobicContact CB-CB 4.48Å; S174-Q178 VanDerWaalsContact OG-CD 3.23Å; S174-Q178 PolarHBondContact OG-OE1 3.02Å; S175-Q178 PolarHBondContact O-N 3.32Å; S175-Q178 PolarHBondContact OG-N 3.22Å; A176-Q178 VanDerWaalsContact C-N 3.29Å; A176-Q178 PolarHBondContact O-N 2.89Å; Q178-Q180 VanDerWaalsContact C-N 3.35Å; Q178-Q180 PolarHBondContact O-N 3.46Å; Q178-A181 PolarHBondContact O-N 2.9Å; Q178-I182 HydrophobicContact CG-CD1 4.09Å; Q178-I182 VanDerWaalsContact O-CG1 3.31Å; Q178-I182 WeakPolarHBondContact O-CG1 3.23Å; Q178-I182 PolarHBondContact O-N 3.33Å |
| 179 | A | 96.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.3 | -43.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | C142 N152 C173 S175 A176 I182 C183 | C142-A179 HydrophobicContact CB-CB 3.74Å; N152-A179 HydrophobicContact CB-CB 4.01Å; C173-A179 HydrophobicContact CB-CB 3.96Å; S175-A179 PolarHBondContact O-N 3.38Å; A176-A179 PolarHBondContact O-N 3.27Å; A179-I182 PolarHBondContact O-N 3.45Å; A179-C183 PolarHBondContact O-N 2.86Å; A179-C183 PolarHBondContact O-SG 2.69Å |
| 180 | Q | 96.1 | Very high | 96 | Very high | 123 Ų | 123 | 42.3 Ų | 42.3 | 58% | 0.575 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -64.4 | -38.1 | 174.5 | -69.9 | 175 | 15.2 | 0 | 0 | 112.6 | A176 Q178 C183 K184 | A176-Q180 WeakPolarHBondContact O-CB 3.46Å; A176-Q180 WeakPolarHBondContact O-CG 3.24Å; A176-Q180 PolarHBondContact O-N 2.92Å; Q178-Q180 VanDerWaalsContact C-N 3.35Å; Q178-Q180 PolarHBondContact O-N 3.46Å; Q180-C183 PolarHBondContact O-N 2.86Å; Q180-K184 WeakPolarHBondContact O-CB 3.31Å; Q180-K184 PolarHBondContact O-N 3.04Å |
| 181 | A | 96.8 | Very high | 95.7 | Very high | 36 Ų | 36 | 47 Ų | 47 | 30% | 0.298 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.7 | -43 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F62 E177 Q178 K184 V185 | F62-A181 HydrophobicContact CE1-CB 3.93Å; F62-A181 HydrophobicContact CZ-CB 4.36Å; E177-A181 VanDerWaalsContact O-CB 3.29Å; E177-A181 WeakPolarHBondContact O-CB 3.49Å; E177-A181 PolarHBondContact O-N 2.91Å; Q178-A181 PolarHBondContact O-N 2.9Å; A181-K184 PolarHBondContact O-N 3.41Å; A181-V185 WeakPolarHBondContact O-CG2 3.3Å; A181-V185 PolarHBondContact O-N 2.99Å |
| 182 | I | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.4 | -48.1 | 175.1 | -67.8 | 160.5 | 0 | 0 | 0 | 110.4 | F62 V64 L111 V113 M140 L154 Q178 A179 K184 V185 L186 | F62-I182 HydrophobicContact CB-CD1 3.91Å; F62-I182 HydrophobicContact CB-CG1 4.01Å; F62-I182 HydrophobicContact CD1-CD1 4.14Å; F62-I182 HydrophobicContact CD1-CG1 3.59Å; F62-I182 HydrophobicContact CD2-CD1 4.36Å; F62-I182 HydrophobicContact CD2-CG1 3.53Å; F62-I182 HydrophobicContact CE1-CG1 3.81Å; F62-I182 HydrophobicContact CE2-CB 4.49Å; F62-I182 HydrophobicContact CE2-CG1 3.74Å; F62-I182 HydrophobicContact CG-CD1 3.91Å; F62-I182 HydrophobicContact CG-CG1 3.43Å; F62-I182 VanDerWaalsContact CG-CG1 3.43Å; F62-I182 HydrophobicContact CZ-CG1 3.87Å; V64-I182 HydrophobicContact CG1-CD1 4.11Å; L111-I182 HydrophobicContact CD2-CG2 4.13Å; V113-I182 HydrophobicContact CG2-CG2 4.1Å; M140-I182 HydrophobicContact CE-CG2 3.63Å; M140-I182 HydrophobicContact SD-CG2 4.12Å; L154-I182 HydrophobicContact CD1-CG2 4.13Å; L154-I182 HydrophobicContact CD2-CD1 4.37Å; L154-I182 HydrophobicContact CD2-CG2 3.63Å; Q178-I182 HydrophobicContact CG-CD1 4.09Å; Q178-I182 VanDerWaalsContact O-CG1 3.31Å; Q178-I182 WeakPolarHBondContact O-CG1 3.23Å; Q178-I182 PolarHBondContact O-N 3.33Å; A179-I182 PolarHBondContact O-N 3.45Å; I182-K184 PolarHBondContact O-N 3.36Å; I182-V185 PolarHBondContact O-N 3.22Å; I182-L186 PolarHBondContact O-N 3.04Å; I182-L186 VanDerWaalsContact O-N 3.09Å |
| 183 | C | 96.6 | Very high | 94.7 | Very high | 26 Ų | 26 | 51.9 Ų | 51.9 | 18% | 0.176 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.8 | -45.1 | 173.5 | -71.2 | 0 | 0 | 0 | 0 | 112.6 | M140 C142 A179 Q180 V185 L186 S187 | M140-C183 HydrophobicContact CE-CB 4.32Å; C142-C183 VanDerWaalsContact SG-SG 3.66Å; A179-C183 PolarHBondContact O-N 2.86Å; A179-C183 PolarHBondContact O-SG 2.69Å; Q180-C183 PolarHBondContact O-N 2.86Å; C183-V185 PolarHBondContact O-N 2.94Å; C183-L186 PolarHBondContact O-N 2.99Å; C183-S187 PolarHBondContact O-N 3.44Å; C183-S187 PolarHBondContact O-OG 3.41Å |
| 184 | K | 96.2 | Very high | 94.2 | Very high | 164 Ų | 164 | 58.1 Ų | 58.1 | 71% | 0.713 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.3 | -40.6 | 180 | -174.4 | 178.4 | 179.3 | -179.4 | 0 | 113 | Q180 A181 I182 A188 | Q180-K184 WeakPolarHBondContact O-CB 3.31Å; Q180-K184 PolarHBondContact O-N 3.04Å; A181-K184 PolarHBondContact O-N 3.41Å; I182-K184 PolarHBondContact O-N 3.36Å; K184-A188 WeakPolarHBondContact O-CB 3.32Å; K184-A188 PolarHBondContact O-N 3Å; K184-A188 VanDerWaalsContact O-N 3.09Å |
| 185 | V | 96.4 | Very high | 93.5 | Very high | 31 Ų | 31 | 59 Ų | 59 | 19% | 0.188 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.7 | -36.4 | 176.3 | 177.5 | 0 | 0 | 0 | 0 | 111.2 | A60 F62 V113 A181 I182 C183 S189 | A60-V185 HydrophobicContact CB-CG1 4.14Å; A60-V185 HydrophobicContact CB-CG2 4.09Å; F62-V185 HydrophobicContact CZ-CG2 4.21Å; V113-V185 HydrophobicContact CB-CB 4.42Å; V113-V185 HydrophobicContact CB-CG1 3.87Å; V113-V185 HydrophobicContact CG1-CB 4.32Å; V113-V185 HydrophobicContact CG1-CG1 3.83Å; A181-V185 WeakPolarHBondContact O-CG2 3.3Å; A181-V185 PolarHBondContact O-N 2.99Å; I182-V185 PolarHBondContact O-N 3.22Å; C183-V185 PolarHBondContact O-N 2.94Å; V185-S189 WeakPolarHBondContact O-CB 3.49Å; V185-S189 PolarHBondContact O-N 2.94Å; V185-S189 PolarHBondContact O-OG 3.18Å |
| 186 | L | 96.3 | Very high | 92 | Very high | 4 Ų | 4 | 61.5 Ų | 61.5 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.3 | -44.5 | 176 | -172.2 | 68.6 | 0 | 0 | 0 | 111.9 | V113 V118 L134 I137 M140 I182 C183 A188 S189 F190 | V113-L186 HydrophobicContact CG1-CB 3.99Å; V113-L186 HydrophobicContact CG1-CD1 3.94Å; V118-L186 HydrophobicContact CG2-CD1 4.21Å; L134-L186 HydrophobicContact CD1-CD1 3.63Å; I137-L186 HydrophobicContact CD1-CD1 4.13Å; I137-L186 HydrophobicContact CG2-CD2 4.26Å; M140-L186 HydrophobicContact CB-CD2 3.72Å; M140-L186 HydrophobicContact CE-CB 3.69Å; M140-L186 HydrophobicContact CE-CD2 3.49Å; M140-L186 VanDerWaalsContact CE-CD2 3.49Å; M140-L186 HydrophobicContact CE-CG 4.22Å; M140-L186 HydrophobicContact CG-CD2 4.43Å; M140-L186 HydrophobicContact SD-CD2 3.84Å; I182-L186 PolarHBondContact O-N 3.04Å; I182-L186 VanDerWaalsContact O-N 3.09Å; C183-L186 PolarHBondContact O-N 2.99Å; L186-A188 PolarHBondContact O-N 2.94Å; L186-S189 WeakPolarHBondContact O-CA 3.41Å; L186-S189 WeakPolarHBondContact O-CB 3.45Å; L186-S189 PolarHBondContact O-N 2.86Å; L186-F190 HydrophobicContact CD1-CE2 4.16Å; L186-F190 HydrophobicContact CD2-CE2 3.96Å; L186-F190 HydrophobicContact CG-CD2 4.1Å; L186-F190 HydrophobicContact CG-CE2 3.72Å; L186-F190 WeakPolarHBondContact O-CD2 3.46Å; L186-F190 PolarHBondContact O-N 2.79Å |
| 187 | S | 95.4 | Very high | 90 | Very high | 67 Ų | 67 | 69 Ų | 69 | 47% | 0.469 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -57.6 | -48.6 | 174.6 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | C183 S189 F190 D191 | C183-S187 PolarHBondContact O-N 3.44Å; C183-S187 PolarHBondContact O-OG 3.41Å; S187-S189 PolarHBondContact O-N 3.25Å; S187-F190 WeakPolarHBondContact O-CB 3.43Å; S187-F190 PolarHBondContact O-N 3.35Å; S187-F190 VanDerWaalsContact O-N 3.08Å; S187-D191 PolarHBondContact O-N 3.41Å |
| 188 | A | 93.9 | Very high | 87.8 | Confident | 45 Ų | 45 | 71.9 Ų | 71.9 | 37% | 0.372 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.4 | -28.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | K184 L186 C192 | K184-A188 WeakPolarHBondContact O-CB 3.32Å; K184-A188 PolarHBondContact O-N 3Å; K184-A188 VanDerWaalsContact O-N 3.09Å; L186-A188 PolarHBondContact O-N 2.94Å; A188-C192 WeakPolarHBondContact O-CB 3.46Å; A188-C192 PolarHBondContact O-N 3.13Å |
| 189 | S | 93.5 | Very high | 85.1 | Confident | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -72.1 | -39 | 174.8 | -59.4 | 0 | 0 | 0 | 0 | 112 | V185 L186 S187 V193 | V185-S189 WeakPolarHBondContact O-CB 3.49Å; V185-S189 PolarHBondContact O-N 2.94Å; V185-S189 PolarHBondContact O-OG 3.18Å; L186-S189 WeakPolarHBondContact O-CA 3.41Å; L186-S189 WeakPolarHBondContact O-CB 3.45Å; L186-S189 PolarHBondContact O-N 2.86Å; S187-S189 PolarHBondContact O-N 3.25Å; S189-V193 PolarHBondContact O-N 3.38Å |
| 190 | F | 93.8 | Very high | 84.5 | Confident | 65 Ų | 65 | 82.7 Ų | 82.7 | 29% | 0.285 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.8 | -48.5 | 170.1 | -74.3 | -67.1 | 0 | 0 | 0 | 111.6 | L134 I137 L186 S187 C192 V193 L194 | L134-F190 HydrophobicContact CD1-CD1 3.82Å; L134-F190 HydrophobicContact CD1-CD2 4.24Å; L134-F190 HydrophobicContact CD1-CE1 3.58Å; L134-F190 HydrophobicContact CD1-CE2 4.03Å; L134-F190 HydrophobicContact CD1-CG 4.15Å; L134-F190 HydrophobicContact CD1-CZ 3.7Å; L134-F190 HydrophobicContact CD2-CD1 4.1Å; L134-F190 HydrophobicContact CD2-CE1 4.44Å; L134-F190 HydrophobicContact CG-CD1 3.79Å; L134-F190 HydrophobicContact CG-CE1 3.63Å; L134-F190 HydrophobicContact CG-CZ 4.25Å; L134-F190 WeakPolarHBondContact O-CE1 3.14Å; I137-F190 HydrophobicContact CB-CZ 4.14Å; I137-F190 HydrophobicContact CG2-CZ 4.1Å; L186-F190 HydrophobicContact CD1-CE2 4.16Å; L186-F190 HydrophobicContact CD2-CE2 3.96Å; L186-F190 HydrophobicContact CG-CD2 4.1Å; L186-F190 HydrophobicContact CG-CE2 3.72Å; L186-F190 WeakPolarHBondContact O-CD2 3.46Å; L186-F190 PolarHBondContact O-N 2.79Å; S187-F190 WeakPolarHBondContact O-CB 3.43Å; S187-F190 PolarHBondContact O-N 3.35Å; S187-F190 VanDerWaalsContact O-N 3.08Å; F190-C192 VanDerWaalsContact C-N 3.28Å; F190-C192 PolarHBondContact O-N 3.41Å; F190-V193 PolarHBondContact O-N 2.57Å; F190-L194 WeakPolarHBondContact O-CG 3.11Å; F190-L194 PolarHBondContact O-N 3.22Å |
| 191 | D | 91.8 | Very high | 83.9 | Confident | 100 Ų | 100 | 80.6 Ų | 80.6 | 54% | 0.535 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58.2 | -40.5 | 179.1 | -67 | -34.5 | 0 | 0 | 0 | 111.8 | S187 L194 T195 | S187-D191 PolarHBondContact O-N 3.41Å; D191-L194 PolarHBondContact O-N 3.05Å; D191-T195 WeakPolarHBondContact O-CB 3.41Å; D191-T195 WeakPolarHBondContact O-CG2 3.44Å; D191-T195 PolarHBondContact O-N 3.22Å; D191-T195 PolarHBondContact O-OG1 3.4Å |
| 192 | C | 88.9 | Confident | 83.1 | Confident | 53 Ų | 53 | 83.1 Ų | 83.1 | 36% | 0.358 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 176.8 | 179.4 | 0 | 0 | 0 | 0 | 112.4 | A188 F190 T195 S196 | A188-C192 WeakPolarHBondContact O-CB 3.46Å; A188-C192 PolarHBondContact O-N 3.13Å; F190-C192 VanDerWaalsContact C-N 3.28Å; F190-C192 PolarHBondContact O-N 3.41Å; C192-T195 PolarHBondContact O-N 2.9Å; C192-T195 PolarHBondContact O-OG1 2.83Å; C192-S196 PolarHBondContact O-N 3.36Å; C192-S196 VanDerWaalsContact O-N 3.14Å |
| 193 | V | 87.5 | Confident | 82.3 | Confident | 73 Ų | 73 | 87.9 Ų | 87.9 | 44% | 0.442 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.4 | -41.2 | 178.5 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | L134 S189 F190 T195 S196 | L134-V193 HydrophobicContact CD2-CB 4.45Å; L134-V193 HydrophobicContact CD2-CG2 3.84Å; S189-V193 PolarHBondContact O-N 3.38Å; F190-V193 PolarHBondContact O-N 2.57Å; V193-T195 VanDerWaalsContact C-N 3.3Å; V193-T195 PolarHBondContact O-N 3.23Å; V193-S196 PolarHBondContact O-N 2.91Å |
| 194 | L | 85.1 | Confident | 81.4 | Confident | 132 Ų | 132 | 91.8 Ų | 91.8 | 69% | 0.691 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -70.6 | -20.3 | 178.8 | -67.4 | 172.5 | 0 | 0 | 0 | 114.2 | F190 D191 | F190-L194 WeakPolarHBondContact O-CG 3.11Å; F190-L194 PolarHBondContact O-N 3.22Å; D191-L194 PolarHBondContact O-N 3.05Å |
| 195 | T | 80 | Confident | 80.4 | Confident | 91 Ų | 91 | 87 Ų | 87 | 56% | 0.558 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -96.1 | -15.5 | 177.1 | 49.6 | 0 | 0 | 0 | 0 | 113.6 | D191 C192 V193 E197 K198 | D191-T195 WeakPolarHBondContact O-CB 3.41Å; D191-T195 WeakPolarHBondContact O-CG2 3.44Å; D191-T195 PolarHBondContact O-N 3.22Å; D191-T195 PolarHBondContact O-OG1 3.4Å; C192-T195 PolarHBondContact O-N 2.9Å; C192-T195 PolarHBondContact O-OG1 2.83Å; V193-T195 VanDerWaalsContact C-N 3.3Å; V193-T195 PolarHBondContact O-N 3.23Å; T195-E197 PolarHBondContact O-N 3.36Å; T195-K198 PolarHBondContact O-N 3.11Å |
| 196 | S | 61 | Low | 79.3 | Confident | 90 Ų | 90 | 91 Ų | 91 | 63% | 0.629 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -67.2 | -15.9 | -176.7 | -168.4 | 0 | 0 | 0 | 0 | 114.9 | C192 V193 K198 | C192-S196 PolarHBondContact O-N 3.36Å; C192-S196 VanDerWaalsContact O-N 3.14Å; V193-S196 PolarHBondContact O-N 2.91Å; S196-K198 VanDerWaalsContact C-N 3.26Å; S196-K198 PolarHBondContact O-N 3.32Å |
| 197 | E | 53.3 | Low | 78 | Confident | 186 Ų | 186 | 97.7 Ų | 97.7 | 87% | 0.869 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -84 | 9.6 | 178.5 | -61 | -165.4 | 137.7 | 0 | 0 | 114.1 | T195 | T195-E197 PolarHBondContact O-N 3.36Š|
| 198 | K | 49.8 | Very low | 76.5 | Confident | 192 Ų | 192 | 100.3 Ų | 100.3 | 84% | 0.835 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -116.4 | 23.3 | -175.5 | -68.9 | -175.6 | 177 | 174.3 | 0 | 114.6 | T195 S196 | T195-K198 PolarHBondContact O-N 3.11Å; S196-K198 VanDerWaalsContact C-N 3.26Å; S196-K198 PolarHBondContact O-N 3.32Å |
| 199 | S | 39.8 | Very low | 74.9 | Confident | 176 Ų | 176 | 105.3 Ų | 105.3 | 100% | 1.231 | 59% | 0.585 | S | S | * | * | trans | -134 | 0 | 178.6 | -173.3 | 0 | 0 | 0 | 0 | 112.9 |
Retrieved 199 of 199 residues in 964.8 ms
(Link to these results)