| 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 | 39.5 | Very low | 40.5 | Very low | 238 Ų | 238 | 157.2 Ų | 157.2 | 100% | 1.172 | 84% | 0.842 | S | S | * | * | 0 | 93.3 | 0 | -69.2 | 176.2 | -177.6 | 0 | 0 | 106.3 | |||||
| 2 | S | 37.2 | Very low | 39.9 | Very low | 122 Ų | 122 | 156.7 Ų | 156.7 | 85% | 0.853 | 84% | 0.84 | S | S | * | * | trans | -105.4 | 112.6 | 179.9 | -55.6 | 0 | 0 | 0 | 0 | 106.5 | L4 | S2-L4 PolarHBondContact O-N 3.44Š| ||
| 3 | I | 39.6 | Very low | 40.1 | Very low | 161 Ų | 161 | 152 Ų | 152 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | trans | -83.1 | 115.7 | -174.2 | -44.9 | 171 | 0 | 0 | 0 | 106.6 | ||||
| 4 | L | 41.3 | Very low | 40.3 | Very low | 162 Ų | 162 | 152.3 Ų | 152.3 | 85% | 0.848 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 126.6 | 166.6 | -86.6 | 138 | 0 | 0 | 0 | 108.6 | S2 | S2-L4 PolarHBondContact O-N 3.44Š|
| 5 | L | 42.3 | Very low | 40.1 | Very low | 164 Ų | 164 | 150.5 Ų | 150.5 | 86% | 0.859 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 125 | 160.5 | -82.4 | 168.2 | 0 | 0 | 0 | 108.7 | ||
| 6 | P | 44.3 | Very low | 40.2 | Very low | 115 Ų | 115 | 151.6 Ų | 151.6 | 75% | 0.747 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 150.5 | 176.9 | -15.8 | 30 | 0 | 0 | 0 | 113.6 | ||
| 7 | N | 38.4 | Very low | 40.1 | Very low | 153 Ų | 153 | 151.6 Ų | 151.6 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 126.6 | 166.8 | -160.1 | 11.1 | 0 | 0 | 0 | 110.4 | ||
| 8 | M | 41.1 | Very low | 40.1 | Very low | 191 Ų | 191 | 153.3 Ų | 153.3 | 94% | 0.941 | 82% | 0.821 | S | S | * | * | trans | -112.4 | 85.8 | 168.2 | -101.6 | -172.9 | 111.1 | 0 | 0 | 108.2 | ||||
| 9 | A | 45.7 | Very low | 40.1 | Very low | 76 Ų | 76 | 155.5 Ų | 155.5 | 63% | 0.628 | 83% | 0.826 | S | S | * | * | trans | -107.2 | 140.2 | 150.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 10 | E | 42.6 | Very low | 40 | Very low | 184 Ų | 184 | 157.1 Ų | 157.1 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | trans | 101.7 | 128.9 | 166.8 | -60.9 | -176.9 | 154.6 | 0 | 0 | 118.8 | ||||
| 11 | F | 33 | Very low | 39.9 | Very low | 163 Ų | 163 | 158.2 Ų | 158.2 | 72% | 0.715 | 83% | 0.829 | S | S | * | * | trans | 83.8 | 105 | 157.3 | -110.6 | -102.3 | 0 | 0 | 0 | 118.7 | ||||
| 12 | D | 33.8 | Very low | 39.9 | Very low | 151 Ų | 151 | 156.6 Ų | 156.6 | 81% | 0.807 | 82% | 0.818 | S | S | * | * | -164.3 | 106.9 | 100.2 | -93.2 | -35.3 | 0 | 0 | 0 | 111.2 | |||||
| 13 | T | 42.3 | Very low | 40 | Very low | 96 Ų | 96 | 158.9 Ų | 158.9 | 59% | 0.589 | 82% | 0.816 | S | S | * | * | trans | -73 | 151.5 | 149.8 | 41.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 14 | I | 42.9 | Very low | 39.7 | Very low | 156 Ų | 156 | 155.3 Ų | 155.3 | 80% | 0.8 | 81% | 0.81 | S | S | * | * | trans | 101.4 | 101.5 | 167.8 | -51.8 | 156.2 | 0 | 0 | 0 | 113.7 | ||||
| 15 | S | 38 | Very low | 39.5 | Very low | 126 Ų | 126 | 152 Ų | 152 | 88% | 0.881 | 81% | 0.806 | S | S | * | * | trans | -159.1 | 92.5 | 134.4 | -96.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 16 | E | 40.5 | Very low | 39 | Very low | 168 Ų | 168 | 150.4 Ų | 150.4 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -73.8 | 151.2 | 160.3 | -95.7 | -176.7 | 136.7 | 0 | 0 | 110.6 | ||||
| 17 | L | 38.8 | Very low | 38.7 | Very low | 151 Ų | 151 | 150.1 Ų | 150.1 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | 83.8 | 148.1 | 147.7 | -69.8 | 161.9 | 0 | 0 | 0 | 121.2 | ||||
| 18 | E | 39.6 | Very low | 38.7 | Very low | 182 Ų | 182 | 147.8 Ų | 147.8 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | trans | 83 | 116.6 | 173.5 | -55.5 | 176.7 | 159.4 | 0 | 0 | 112.4 | ||||
| 19 | E | 40.2 | Very low | 38.4 | Very low | 196 Ų | 196 | 144.1 Ų | 144.1 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | -150.4 | 129.8 | 63.8 | -75.4 | 164.2 | 162 | 0 | 0 | 112.8 | |||||
| 20 | E | 38.1 | Very low | 38 | Very low | 187 Ų | 187 | 146 Ų | 146 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -95.7 | 159.4 | 156.2 | -86.6 | -175.4 | 144.3 | 0 | 0 | 110 | ||||
| 21 | E | 38.4 | Very low | 39 | Very low | 181 Ų | 181 | 143 Ų | 143 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | 74.5 | 113.7 | 164.3 | -77.3 | -171.7 | 136 | 0 | 0 | 120.5 | ||||
| 22 | E | 39.8 | Very low | 39.1 | Very low | 204 Ų | 204 | 140.8 Ų | 140.8 | 95% | 0.953 | 80% | 0.803 | S | S | * | * | -150.2 | 131.6 | 121.2 | -125.9 | -176.6 | -175.5 | 0 | 0 | 112.5 | |||||
| 23 | E | 38.7 | Very low | 39.3 | Very low | 170 Ų | 170 | 139 Ų | 139 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | -93.9 | 159.1 | -175.4 | -91.7 | -114.6 | 170.7 | 0 | 0 | 113.6 | ||||
| 24 | A | 34.3 | Very low | 39.1 | Very low | 85 Ų | 85 | 139.5 Ų | 139.5 | 70% | 0.702 | 81% | 0.81 | S | S | * | * | trans | 86 | 122.2 | 141.9 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 25 | A | 36 | Very low | 39 | Very low | 93 Ų | 93 | 137.2 Ų | 137.2 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | 67.4 | 130.4 | 143.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 26 | T | 32.2 | Very low | 39 | Very low | 130 Ų | 130 | 136.4 Ų | 136.4 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | -155.6 | 149.8 | 64.5 | 61.7 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 27 | S | 38.8 | Very low | 39 | Very low | 109 Ų | 109 | 135.2 Ų | 135.2 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | -34.4 | 160.3 | 157.2 | 52.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 28 | S | 37.8 | Very low | 39 | Very low | 104 Ų | 104 | 133.4 Ų | 133.4 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | cis | -170.6 | 147.2 | 21.9 | 40.1 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 29 | S | 35 | Very low | 38.8 | Very low | 115 Ų | 115 | 128.4 Ų | 128.4 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | 156 | 142.2 | 91.9 | 47.1 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 30 | S | 36.7 | Very low | 39.5 | Very low | 116 Ų | 116 | 123.8 Ų | 123.8 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | -117.9 | -178.5 | 166.4 | -48.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 31 | P | 64.6 | Low | 39.7 | Very low | 119 Ų | 119 | 120.8 Ų | 120.8 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | cis | -134.1 | 173.9 | -17.8 | 23.4 | 0.2 | 0 | 0 | 0 | 113.1 | ||||
| 32 | S | 33.8 | Very low | 40.2 | Very low | 118 Ų | 118 | 118.2 Ų | 118.2 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | -165.2 | 111 | 137.2 | 13.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 33 | S | 39.8 | Very low | 40.7 | Very low | 113 Ų | 113 | 114.9 Ų | 114.9 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | trans | -5.4 | 134.5 | 148.9 | 53.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 34 | S | 38.1 | Very low | 41 | Very low | 107 Ų | 107 | 113.3 Ų | 113.3 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | -173.1 | 116 | 104.5 | 58.4 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 35 | S | 40.3 | Very low | 41.5 | Very low | 107 Ų | 107 | 115.8 Ų | 115.8 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | trans | 33.1 | 125.4 | 141.7 | 59.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 36 | S | 37.3 | Very low | 42.2 | Very low | 110 Ų | 110 | 115.9 Ų | 115.9 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | -172.5 | 123.7 | 104.2 | -74.1 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 37 | V | 41.2 | Very low | 43.2 | Very low | 142 Ų | 142 | 116.4 Ų | 116.4 | 86% | 0.861 | 73% | 0.731 | S | S | * | * | trans | 57.7 | 103.2 | 151.2 | -178.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 38 | S | 39 | Very low | 43.8 | Very low | 114 Ų | 114 | 117.4 Ų | 117.4 | 80% | 0.797 | 72% | 0.724 | S | S | * | * | trans | -62.6 | 135.2 | 158 | -39 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 39 | G | 34.8 | Very low | 44.5 | Very low | 77 Ų | 77 | 117.3 Ų | 117.3 | 79% | 0.794 | 71% | 0.712 | S | S | * | * | trans | -130 | 112.4 | 144.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 40 | P | 54.3 | Low | 45.5 | Very low | 99 Ų | 99 | 118 Ų | 118 | 64% | 0.643 | 70% | 0.703 | S | S | * | * | trans | -94.3 | 144.1 | 160.2 | 43.2 | -33.6 | 0 | 0 | 0 | 105.4 | ||||
| 41 | D | 42.6 | Very low | 46.6 | Very low | 124 Ų | 124 | 114 Ų | 114 | 66% | 0.663 | 68% | 0.68 | S | S | * | * | cis | -173.7 | 102.3 | 48.8 | -65.8 | -77.6 | 0 | 0 | 0 | 104.2 | ||||
| 42 | D | 49.1 | Very low | 46.4 | Very low | 127 Ų | 127 | 114.8 Ų | 114.8 | 68% | 0.679 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -140.1 | -24 | 171.8 | -87.4 | -49.5 | 0 | 0 | 0 | 110.8 | ||
| 43 | D | 49.5 | Very low | 47.4 | Very low | 133 Ų | 133 | 111.9 Ų | 111.9 | 71% | 0.711 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -77.2 | -24 | 178.8 | -66.6 | -58.6 | 0 | 0 | 0 | 113.4 | E47 | D43-E47 PolarHBondContact O-N 3.13Å |
| 44 | E | 45.7 | Very low | 48.2 | Very low | 137 Ų | 137 | 112.1 Ų | 112.1 | 64% | 0.64 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -82 | -25 | 178.6 | -63.9 | -149.3 | -179.4 | 0 | 0 | 113.1 | D46 E48 | E44-D46 VanDerWaalsContact C-N 3.34Å; E44-E48 WeakPolarHBondContact O-CG 3.39Å; E44-E48 PolarHBondContact O-N 3.26Å; E44-E48 VanDerWaalsContact O-N 3.09Å |
| 45 | E | 45.9 | Very low | 49.4 | Very low | 137 Ų | 137 | 113.6 Ų | 113.6 | 64% | 0.64 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -69.4 | -33.9 | 172 | -70.7 | -169.1 | 176.4 | 0 | 0 | 111.2 | E49 | E45-E49 WeakPolarHBondContact O-CB 3.19Å; E45-E49 PolarHBondContact O-N 3.07Å |
| 46 | D | 49.4 | Very low | 50.4 | Low | 96 Ų | 96 | 114.3 Ų | 114.3 | 51% | 0.513 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -70.8 | -37.7 | 176.1 | -82.6 | -20.2 | 0 | 0 | 0 | 111.6 | E44 E50 | E44-D46 VanDerWaalsContact C-N 3.34Å; D46-E50 WeakPolarHBondContact O-CB 3.46Å; D46-E50 VanDerWaalsContact O-CG 3.27Å; D46-E50 WeakPolarHBondContact O-CG 3.34Å; D46-E50 PolarHBondContact O-N 2.96Å |
| 47 | E | 52.4 | Low | 51.2 | Low | 140 Ų | 140 | 111 Ų | 111 | 65% | 0.654 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -72 | -34.5 | 176.5 | -71.4 | -171 | -179.7 | 0 | 0 | 112.8 | D43 G51 | D43-E47 PolarHBondContact O-N 3.13Å; E47-G51 PolarHBondContact O-N 2.96Å; E47-G51 VanDerWaalsContact O-N 3.08Å |
| 48 | E | 52 | Low | 52.3 | Low | 131 Ų | 131 | 110.8 Ų | 110.8 | 61% | 0.612 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -70 | -39.9 | 173.2 | -72.7 | -172.8 | 176.3 | 0 | 0 | 111.8 | E44 E50 G51 E52 | E44-E48 WeakPolarHBondContact O-CG 3.39Å; E44-E48 PolarHBondContact O-N 3.26Å; E44-E48 VanDerWaalsContact O-N 3.09Å; E48-E50 VanDerWaalsContact C-N 3.33Å; E48-G51 PolarHBondContact O-N 3.29Å; E48-E52 WeakPolarHBondContact O-CG 3.2Å; E48-E52 PolarHBondContact O-N 2.99Å |
| 49 | E | 53.4 | Low | 53.4 | Low | 101 Ų | 101 | 111.7 Ų | 111.7 | 47% | 0.472 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.7 | -35.3 | 173.8 | -161.8 | -177.9 | -171.1 | 0 | 0 | 111.2 | E45 E53 | E45-E49 WeakPolarHBondContact O-CB 3.19Å; E45-E49 PolarHBondContact O-N 3.07Å; E49-E53 WeakPolarHBondContact O-CB 3.33Å; E49-E53 WeakPolarHBondContact O-CG 3.35Å; E49-E53 PolarHBondContact O-N 3.25Å |
| 50 | E | 54.6 | Low | 54.6 | Low | 130 Ų | 130 | 113 Ų | 113 | 61% | 0.607 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66.2 | -40.5 | 174.1 | -78.6 | -175.3 | 179.1 | 0 | 0 | 112.6 | D46 E48 E53 E54 | D46-E50 WeakPolarHBondContact O-CB 3.46Å; D46-E50 VanDerWaalsContact O-CG 3.27Å; D46-E50 WeakPolarHBondContact O-CG 3.34Å; D46-E50 PolarHBondContact O-N 2.96Å; E48-E50 VanDerWaalsContact C-N 3.33Å; E50-E53 PolarHBondContact O-N 3.43Å; E50-E54 WeakPolarHBondContact O-CG 3.5Å; E50-E54 PolarHBondContact O-N 3.21Å; E50-E54 VanDerWaalsContact O-N 3.09Å |
| 51 | G | 60.4 | Low | 54.8 | Low | 33 Ų | 33 | 114 Ų | 114 | 34% | 0.34 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68 | -40.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | E47 E48 E53 E54 E55 | E47-G51 PolarHBondContact O-N 2.96Å; E47-G51 VanDerWaalsContact O-N 3.08Å; E48-G51 PolarHBondContact O-N 3.29Å; G51-E53 VanDerWaalsContact C-N 3.35Å; G51-E54 PolarHBondContact O-N 3.02Å; G51-E55 PolarHBondContact O-N 3.11Å; G51-E55 VanDerWaalsContact O-N 3.14Å |
| 52 | E | 61.3 | Low | 55.5 | Low | 134 Ų | 134 | 114.4 Ų | 114.4 | 63% | 0.626 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.1 | -36.1 | 174.2 | -70.3 | -174.5 | 174 | 0 | 0 | 111.8 | E48 E56 | E48-E52 WeakPolarHBondContact O-CG 3.2Å; E48-E52 PolarHBondContact O-N 2.99Å; E52-E56 WeakPolarHBondContact O-CG 3.46Å; E52-E56 PolarHBondContact O-N 3.32Å; E52-E56 VanDerWaalsContact O-N 3.08Å |
| 53 | E | 54.2 | Low | 55.9 | Low | 57 Ų | 57 | 115.1 Ų | 115.1 | 27% | 0.266 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.3 | -32.2 | 173.6 | -79.4 | -156.3 | -153.6 | 0 | 0 | 112.9 | E49 E50 G51 E57 R173 | E49-E53 WeakPolarHBondContact O-CB 3.33Å; E49-E53 WeakPolarHBondContact O-CG 3.35Å; E49-E53 PolarHBondContact O-N 3.25Å; E50-E53 PolarHBondContact O-N 3.43Å; G51-E53 VanDerWaalsContact C-N 3.35Å; E53-E57 WeakPolarHBondContact O-CB 3.41Å; E53-E57 WeakPolarHBondContact O-CG 3.11Å; E53-E57 PolarHBondContact O-N 3.4Å; E53-E57 VanDerWaalsContact O-N 3.15Å; E53-R173 IonicContact OE2-CZ 3.74Å; E53-R173 IonicContact OE2-NH1 2.93Å; E53-R173 PolarHBondContact OE2-NH1 3.47Å; E53-R173 IonicContact OE2-NH2 3.25Å; E53-R173 PolarHBondContact OE2-NH2 3.07Å |
| 54 | E | 57 | Low | 56.1 | Low | 119 Ų | 119 | 116 Ų | 116 | 56% | 0.556 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -71.4 | -41.8 | 175.7 | -74.8 | -173.4 | 173.1 | 0 | 0 | 112 | E50 G51 E57 E58 | E50-E54 WeakPolarHBondContact O-CG 3.5Å; E50-E54 PolarHBondContact O-N 3.21Å; E50-E54 VanDerWaalsContact O-N 3.09Å; G51-E54 PolarHBondContact O-N 3.02Å; E54-E57 WeakPolarHBondContact O-CB 3.26Å; E54-E57 PolarHBondContact O-N 3.21Å; E54-E58 PolarHBondContact O-N 3.2Å |
| 55 | E | 62.4 | Low | 56.5 | Low | 138 Ų | 138 | 116.6 Ų | 116.6 | 65% | 0.645 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.7 | -43 | 175.7 | -69.2 | -171.8 | 174.1 | 0 | 0 | 111.9 | G51 E57 E58 E59 | G51-E55 PolarHBondContact O-N 3.11Å; G51-E55 VanDerWaalsContact O-N 3.14Å; E55-E57 PolarHBondContact O-N 2.8Å; E55-E58 PolarHBondContact O-N 3.11Å; E55-E59 WeakPolarHBondContact O-CG 3.4Å; E55-E59 PolarHBondContact O-N 2.87Å; E55-E59 VanDerWaalsContact O-N 3.09Å |
| 56 | E | 62.6 | Low | 56.7 | Low | 121 Ų | 121 | 117.5 Ų | 117.5 | 57% | 0.565 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63 | -29 | 173.2 | -74.8 | -167.2 | 170.1 | 0 | 0 | 112.2 | E52 E60 | E52-E56 WeakPolarHBondContact O-CG 3.46Å; E52-E56 PolarHBondContact O-N 3.32Å; E52-E56 VanDerWaalsContact O-N 3.08Å; E56-E60 WeakPolarHBondContact O-CB 3.39Å; E56-E60 WeakPolarHBondContact O-CG 3.31Å; E56-E60 PolarHBondContact O-N 3.33Å |
| 57 | E | 53.4 | Low | 56.9 | Low | 41 Ų | 41 | 121 Ų | 121 | 19% | 0.192 | 57% | 0.574 | C | S | . | * | H | α-helix | trans | -74.4 | -40.2 | 177.3 | -82.9 | -177.6 | 169.5 | 0 | 0 | 113.3 | E53 E54 E55 E61 K169 R173 | E53-E57 WeakPolarHBondContact O-CB 3.41Å; E53-E57 WeakPolarHBondContact O-CG 3.11Å; E53-E57 PolarHBondContact O-N 3.4Å; E53-E57 VanDerWaalsContact O-N 3.15Å; E54-E57 WeakPolarHBondContact O-CB 3.26Å; E54-E57 PolarHBondContact O-N 3.21Å; E55-E57 PolarHBondContact O-N 2.8Å; E57-E61 WeakPolarHBondContact O-CB 3.39Å; E57-E61 WeakPolarHBondContact O-CG 3.33Å; E57-E61 PolarHBondContact O-N 2.73Å; E57-K169 WeakPolarHBondContact OE1-CD 3.48Å; E57-K169 WeakPolarHBondContact OE1-CE 3.42Å; E57-K169 IonicContact OE1-NZ 2.73Å; E57-K169 PolarHBondContact OE1-NZ 2.88Å; E57-K169 IonicContact OE2-NZ 3.69Å; E57-K169 PolarHBondContact OE2-NZ 3.28Å; E57-R173 IonicContact OE1-CZ 3.99Å; E57-R173 IonicContact OE1-NE 3.42Å; E57-R173 IonicContact OE1-NH2 3.68Å; E57-R173 PolarHBondContact OE1-NH2 3.13Å |
| 58 | E | 63.5 | Low | 56.9 | Low | 138 Ų | 138 | 122.8 Ų | 122.8 | 65% | 0.645 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.1 | -40.8 | 174.1 | -69.4 | -169.5 | 168.3 | 0 | 0 | 110.6 | E54 E55 E61 E62 | E54-E58 PolarHBondContact O-N 3.2Å; E55-E58 PolarHBondContact O-N 3.11Å; E58-E61 PolarHBondContact O-N 2.97Å; E58-E62 WeakPolarHBondContact O-CB 3.37Å; E58-E62 WeakPolarHBondContact O-CG 3.3Å; E58-E62 PolarHBondContact O-N 3.3Å |
| 59 | E | 62.8 | Low | 56.7 | Low | 133 Ų | 133 | 124.8 Ų | 124.8 | 62% | 0.621 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.5 | -41.8 | 175.2 | -70.2 | -169.9 | 170.3 | 0 | 0 | 112.6 | E55 E63 | E55-E59 WeakPolarHBondContact O-CG 3.4Å; E55-E59 PolarHBondContact O-N 2.87Å; E55-E59 VanDerWaalsContact O-N 3.09Å; E59-E63 WeakPolarHBondContact O-CB 3.09Å; E59-E63 WeakPolarHBondContact O-CG 3.43Å; E59-E63 PolarHBondContact O-N 3.09Å |
| 60 | E | 59.9 | Low | 56.8 | Low | 105 Ų | 105 | 123.5 Ų | 123.5 | 49% | 0.491 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.7 | -37.6 | 176.1 | -80.6 | -169.5 | 172.6 | 0 | 0 | 112.4 | E56 E64 | E56-E60 WeakPolarHBondContact O-CB 3.39Å; E56-E60 WeakPolarHBondContact O-CG 3.31Å; E56-E60 PolarHBondContact O-N 3.33Å; E60-E64 PolarHBondContact O-N 3.49Å |
| 61 | E | 58.3 | Low | 57.1 | Low | 120 Ų | 120 | 122.8 Ų | 122.8 | 56% | 0.561 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -71.4 | -39.3 | 176.6 | -72.7 | -172 | -176.9 | 0 | 0 | 111.7 | E57 E58 E64 E65 | E57-E61 WeakPolarHBondContact O-CB 3.39Å; E57-E61 WeakPolarHBondContact O-CG 3.33Å; E57-E61 PolarHBondContact O-N 2.73Å; E58-E61 PolarHBondContact O-N 2.97Å; E61-E64 PolarHBondContact O-N 2.91Å; E61-E65 WeakPolarHBondContact O-CG 3.47Å; E61-E65 PolarHBondContact O-N 3.13Å |
| 62 | E | 57.8 | Low | 57.2 | Low | 131 Ų | 131 | 126.9 Ų | 126.9 | 61% | 0.612 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.7 | -39 | 172.5 | -74.6 | -168.1 | 169.8 | 0 | 0 | 112.3 | E58 E65 E66 | E58-E62 WeakPolarHBondContact O-CB 3.37Å; E58-E62 WeakPolarHBondContact O-CG 3.3Å; E58-E62 PolarHBondContact O-N 3.3Å; E62-E65 PolarHBondContact O-N 3.08Å; E62-E66 WeakPolarHBondContact O-CB 3.19Å; E62-E66 PolarHBondContact O-N 3.19Å |
| 63 | E | 57.3 | Low | 57.2 | Low | 143 Ų | 143 | 126.1 Ų | 126.1 | 67% | 0.668 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.4 | -38.6 | 174.1 | -78.9 | -163.9 | 165.1 | 0 | 0 | 112.3 | E59 E65 E67 | E59-E63 WeakPolarHBondContact O-CB 3.09Å; E59-E63 WeakPolarHBondContact O-CG 3.43Å; E59-E63 PolarHBondContact O-N 3.09Å; E63-E65 VanDerWaalsContact C-N 3.34Å; E63-E67 WeakPolarHBondContact O-CB 3.42Å; E63-E67 PolarHBondContact O-N 3.03Å |
| 64 | E | 53.6 | Low | 57 | Low | 151 Ų | 151 | 129.2 Ų | 129.2 | 71% | 0.706 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -65.8 | -34.7 | 173.7 | -79.5 | -163.2 | 167.2 | 0 | 0 | 111.9 | E60 E61 | E60-E64 PolarHBondContact O-N 3.49Å; E61-E64 PolarHBondContact O-N 2.91Å |
| 65 | E | 53.5 | Low | 57.3 | Low | 149 Ų | 149 | 135.3 Ų | 135.3 | 70% | 0.696 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -74.3 | -39.7 | 174.7 | -72.4 | -164.7 | 168.9 | 0 | 0 | 112.7 | E61 E62 E63 E68 | E61-E65 WeakPolarHBondContact O-CG 3.47Å; E61-E65 PolarHBondContact O-N 3.13Å; E62-E65 PolarHBondContact O-N 3.08Å; E63-E65 VanDerWaalsContact C-N 3.34Å; E65-E68 WeakPolarHBondContact O-CB 3.36Å; E65-E68 PolarHBondContact O-N 2.78Å |
| 66 | E | 50.5 | Low | 56.9 | Low | 156 Ų | 156 | 135 Ų | 135 | 73% | 0.729 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -70.1 | -33 | 176.4 | -84.9 | -155.8 | 152.4 | 0 | 0 | 112.9 | E62 E68 E69 | E62-E66 WeakPolarHBondContact O-CB 3.19Å; E62-E66 PolarHBondContact O-N 3.19Å; E66-E68 PolarHBondContact O-N 2.85Å; E66-E69 PolarHBondContact O-N 3Å |
| 67 | E | 53.9 | Low | 56.4 | Low | 169 Ų | 169 | 133.5 Ų | 133.5 | 79% | 0.79 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -21.3 | 174.1 | -150.3 | -172.8 | -173.1 | 0 | 0 | 111.5 | E63 | E63-E67 WeakPolarHBondContact O-CB 3.42Å; E63-E67 PolarHBondContact O-N 3.03Å |
| 68 | E | 53.6 | Low | 56.3 | Low | 178 Ų | 178 | 134.2 Ų | 134.2 | 83% | 0.832 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -18.6 | 174.9 | -132.7 | -171.7 | 176.5 | 0 | 0 | 113.5 | E65 E66 | E65-E68 WeakPolarHBondContact O-CB 3.36Å; E65-E68 PolarHBondContact O-N 2.78Å; E66-E68 PolarHBondContact O-N 2.85Å |
| 69 | E | 46.3 | Very low | 55.9 | Low | 174 Ų | 174 | 133.1 Ų | 133.1 | 81% | 0.813 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -107.1 | 6.1 | -174.4 | -138.1 | -170.5 | 170.1 | 0 | 0 | 115.5 | E66 P71 | E66-E69 PolarHBondContact O-N 3Å; E69-P71 WeakPolarHBondContact O-CD 3.43Å |
| 70 | A | 56.7 | Low | 55.4 | Low | 73 Ų | 73 | 133.4 Ų | 133.4 | 60% | 0.603 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 123.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 71 | P | 60.9 | Low | 55.2 | Low | 115 Ų | 115 | 132.7 Ų | 132.7 | 75% | 0.747 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 140.3 | 178.1 | 24.9 | -32.6 | 0 | 0 | 0 | 111 | E69 | E69-P71 WeakPolarHBondContact O-CD 3.43Š|
| 72 | P | 61.3 | Low | 55 | Low | 119 Ų | 119 | 128.1 Ų | 128.1 | 77% | 0.773 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 136 | -170 | 24.5 | -33.7 | 0 | 0 | 0 | 112 | ||
| 73 | P | 61.6 | Low | 54.8 | Low | 118 Ų | 118 | 129.8 Ų | 129.8 | 77% | 0.766 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 150.6 | 175.5 | 24.3 | -32.3 | 0 | 0 | 0 | 111.5 | R75 | P73-R75 PolarHBondContact O-N 2.98Å; P73-R75 VanDerWaalsContact O-N 3.1Å |
| 74 | P | 50.9 | Low | 54.8 | Low | 123 Ų | 123 | 130.6 Ų | 130.6 | 80% | 0.799 | 66% | 0.661 | S | S | * | * | trans | -66.4 | 115.6 | -170.6 | 26.6 | -34.3 | 0 | 0 | 0 | 112 | V76 | P74-V76 PolarHBondContact O-N 3.3Š| ||
| 75 | R | 62.2 | Low | 55 | Low | 246 Ų | 246 | 133 Ų | 133 | 93% | 0.928 | 67% | 0.665 | S | S | * | * | trans | -0.2 | 99.9 | 165.8 | -65.1 | -177.5 | 176.7 | 170.1 | 0.3 | 117.3 | P73 | P73-R75 PolarHBondContact O-N 2.98Å; P73-R75 VanDerWaalsContact O-N 3.1Å | ||
| 76 | V | 54.5 | Low | 55.7 | Low | 132 Ų | 132 | 127.3 Ų | 127.3 | 80% | 0.8 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -128.6 | 107.9 | 144.8 | -163.6 | 0 | 0 | 0 | 0 | 105.9 | P74 | P74-V76 PolarHBondContact O-N 3.3Š|
| 77 | V | 51.7 | Low | 57.1 | Low | 89 Ų | 89 | 123.5 Ų | 123.5 | 54% | 0.539 | 63% | 0.632 | S | S | . | * | S | Bend | trans | 34 | 92.6 | -179 | -166.3 | 0 | 0 | 0 | 0 | 114.2 | E79 | V77-E79 PolarHBondContact O-N 2.99Š|
| 78 | S | 51.3 | Low | 58.6 | Low | 56 Ų | 56 | 122.4 Ų | 122.4 | 39% | 0.392 | 63% | 0.632 | S | S | . | * | trans | -42.5 | 125.4 | -175.4 | 59.1 | 0 | 0 | 0 | 0 | 112.8 | E80 H81 | S78-E80 PolarHBondContact O-N 2.81Å; S78-H81 WeakPolarHBondContact O-CB 3.4Å; S78-H81 PolarHBondContact O-N 2.88Å; S78-H81 PolarHBondContact OG-ND1 2.84Å | ||
| 79 | E | 55.3 | Low | 60.4 | Low | 116 Ų | 116 | 116.8 Ų | 116.8 | 54% | 0.542 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -48.9 | -30.8 | 177.7 | -160.3 | -175.3 | 144.7 | 0 | 0 | 112.8 | V77 H81 L82 R83 | V77-E79 PolarHBondContact O-N 2.99Å; E79-H81 VanDerWaalsContact C-N 3.29Å; E79-H81 PolarHBondContact O-N 3.41Å; E79-L82 WeakPolarHBondContact O-CB 3.32Å; E79-L82 PolarHBondContact O-N 3.09Å; E79-R83 PolarHBondContact O-N 3.32Å; E79-R83 IonicContact OE1-CZ 3.42Å; E79-R83 IonicContact OE1-NE 2.8Å; E79-R83 IonicContact OE1-NH2 3.21Å; E79-R83 PolarHBondContact OE1-NH2 2.79Å |
| 80 | E | 52.9 | Low | 62.7 | Low | 138 Ų | 138 | 109.1 Ų | 109.1 | 65% | 0.645 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -58.8 | -30.8 | 173.6 | -154.3 | -176.7 | -173.7 | 0 | 0 | 114.5 | S78 | S78-E80 PolarHBondContact O-N 2.81Å |
| 81 | H | 54.5 | Low | 64.5 | Low | 90 Ų | 90 | 108.9 Ų | 108.9 | 42% | 0.417 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -75 | -28.5 | 172.8 | -83.2 | 114.1 | 0 | 0 | 0 | 112.1 | S78 E79 R84 Y85 | S78-H81 WeakPolarHBondContact O-CB 3.4Å; S78-H81 PolarHBondContact O-N 2.88Å; S78-H81 PolarHBondContact OG-ND1 2.84Å; E79-H81 VanDerWaalsContact C-N 3.29Å; E79-H81 PolarHBondContact O-N 3.41Å; H81-R84 PolarHBondContact CD2-NH1 2.92Å; H81-R84 PolarHBondContact CD2-NH2 3.25Å; H81-R84 PolarHBondContact NE2-NH1 2.81Å; H81-R84 PolarHBondContact NE2-NH2 2.9Å; H81-Y85 WeakPolarHBondContact O-CD2 3.41Å |
| 82 | L | 54.3 | Low | 66.1 | Low | 25 Ų | 25 | 103.6 Ų | 103.6 | 13% | 0.131 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -78.7 | -37.9 | 177.2 | -68.9 | 171.3 | 0 | 0 | 0 | 111.6 | E79 R84 Y85 P217 Y219 | E79-L82 WeakPolarHBondContact O-CB 3.32Å; E79-L82 PolarHBondContact O-N 3.09Å; L82-R84 PolarHBondContact O-N 3.22Å; L82-Y85 PolarHBondContact O-N 3.03Å; L82-Y85 VanDerWaalsContact O-N 3.11Å; L82-P217 HydrophobicContact CB-CB 3.93Å; L82-P217 HydrophobicContact CB-CG 4.27Å; L82-Y219 HydrophobicContact CD1-CD1 4.14Å; L82-Y219 HydrophobicContact CD1-CE1 3.67Å |
| 83 | R | 54.9 | Low | 67.7 | Low | 165 Ų | 165 | 101.8 Ų | 101.8 | 62% | 0.623 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61 | -31.1 | 174.7 | -69.1 | -170.3 | -175.9 | -178.6 | 3.5 | 112.8 | E79 Y85 A86 | E79-R83 PolarHBondContact O-N 3.32Å; E79-R83 IonicContact OE1-CZ 3.42Å; E79-R83 IonicContact OE1-NE 2.8Å; E79-R83 IonicContact OE1-NH2 3.21Å; E79-R83 PolarHBondContact OE1-NH2 2.79Å; R83-Y85 PolarHBondContact O-N 2.83Å; R83-A86 WeakPolarHBondContact O-CB 3.47Å; R83-A86 PolarHBondContact O-N 2.88Å; R83-A86 VanDerWaalsContact O-N 3.13Å |
| 84 | R | 57.1 | Low | 69.2 | Low | 160 Ų | 160 | 97.8 Ų | 97.8 | 60% | 0.604 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -16.1 | 174.5 | -92.1 | -175 | -94.7 | 142 | -4.7 | 115.2 | H81 L82 | H81-R84 PolarHBondContact CD2-NH1 2.92Å; H81-R84 PolarHBondContact CD2-NH2 3.25Å; H81-R84 PolarHBondContact NE2-NH1 2.81Å; H81-R84 PolarHBondContact NE2-NH2 2.9Å; L82-R84 PolarHBondContact O-N 3.22Å |
| 85 | Y | 57.9 | Low | 71.2 | Confident | 202 Ų | 202 | 94.4 Ų | 94.4 | 79% | 0.792 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | -2.1 | 175.2 | -66.5 | -79.7 | 0 | 0 | 0 | 113.1 | H81 L82 R83 | H81-Y85 WeakPolarHBondContact O-CD2 3.41Å; L82-Y85 PolarHBondContact O-N 3.03Å; L82-Y85 VanDerWaalsContact O-N 3.11Å; R83-Y85 PolarHBondContact O-N 2.83Å |
| 86 | A | 66.7 | Low | 72.5 | Confident | 30 Ų | 30 | 84 Ų | 84 | 25% | 0.248 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -73.1 | 134.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | R83 | R83-A86 WeakPolarHBondContact O-CB 3.47Å; R83-A86 PolarHBondContact O-N 2.88Å; R83-A86 VanDerWaalsContact O-N 3.13Å |
| 87 | P | 79.8 | Confident | 74.1 | Confident | 76 Ų | 76 | 85.6 Ų | 85.6 | 49% | 0.494 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 152.6 | 172.5 | -19.9 | 28.5 | 0 | 0 | 0 | 111.7 | F215 | P87-F215 HydrophobicContact CB-CD2 3.71Å; P87-F215 HydrophobicContact CB-CE2 3.94Å; P87-F215 HydrophobicContact CB-CG 4.15Å; P87-F215 HydrophobicContact CG-CB 4.31Å; P87-F215 HydrophobicContact CG-CD1 4.39Å; P87-F215 HydrophobicContact CG-CD2 4.09Å; P87-F215 HydrophobicContact CG-CG 4Å |
| 88 | D | 86.1 | Confident | 75.8 | Confident | 145 Ų | 145 | 84 Ų | 84 | 78% | 0.775 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 137.6 | 175.2 | -70.2 | -28.3 | 0 | 0 | 0 | 110.8 | F215 | D88-F215 WeakPolarHBondContact O-CE2 3.32Š|
| 89 | P | 91 | Very high | 77.6 | Confident | 60 Ų | 60 | 85.4 Ų | 85.4 | 39% | 0.39 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 146.7 | -177 | 28.9 | -35.7 | 0 | 0 | 0 | 111.5 | L212 I213 E214 | P89-L212 HydrophobicContact CB-CD1 3.66Å; P89-L212 HydrophobicContact CB-CD2 4.13Å; P89-L212 HydrophobicContact CB-CG 3.75Å; P89-L212 HydrophobicContact CG-CD1 3.84Å; P89-L212 HydrophobicContact CG-CD2 4.28Å; P89-L212 HydrophobicContact CG-CG 4.26Å; P89-I213 CarbonylContact C-O 3.55Å; P89-I213 WeakPolarHBondContact CA-O 3.2Å; P89-E214 HydrophobicContact CB-CG 4.05Å |
| 90 | V | 94.2 | Very high | 78.9 | Confident | 14 Ų | 14 | 81 Ų | 81 | 9% | 0.085 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 129.6 | 178 | -178.4 | 0 | 0 | 0 | 0 | 109.4 | P112 V114 L115 I213 F215 | V90-P112 HydrophobicContact CG1-CB 3.56Å; V90-P112 HydrophobicContact CG1-CG 3.87Å; V90-V114 HydrophobicContact CG2-CB 3.89Å; V90-V114 HydrophobicContact CG2-CG1 3.88Å; V90-L115 HydrophobicContact CG2-CD2 4.07Å; V90-L115 HydrophobicContact CG2-CG 4.34Å; V90-I213 HydrophobicContact CB-CB 4.18Å; V90-I213 PolarHBondContact N-O 2.9Å; V90-I213 PolarHBondContact O-N 3.18Å; V90-F215 HydrophobicContact CG2-CE2 4.06Å; V90-F215 HydrophobicContact CG2-CZ 4.17Å |
| 91 | L | 94.4 | Very high | 80.4 | Confident | 67 Ų | 67 | 79.1 Ų | 79.1 | 35% | 0.351 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 124.9 | 179.9 | -158.6 | 80.8 | 0 | 0 | 0 | 110.8 | R93 V210 L212 | L91-R93 HydrophobicContact CD2-CG 3.81Å; L91-R93 HydrophobicContact CG-CG 4.32Å; L91-V210 HydrophobicContact CD1-CB 4.1Å; L91-V210 HydrophobicContact CD1-CG2 3.65Å; L91-V210 HydrophobicContact CG-CB 4.36Å; L91-V210 HydrophobicContact CG-CG2 4.42Å; L91-L212 HydrophobicContact CD1-CD1 3.7Å |
| 92 | V | 96 | Very high | 82 | Confident | 5 Ų | 5 | 75.4 Ų | 75.4 | 3% | 0.03 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 110.1 | 172 | -178.2 | 0 | 0 | 0 | 0 | 108.6 | F107 D108 P112 F124 I128 I211 I213 | V92-F107 HydrophobicContact CG1-CB 4.43Å; V92-D108 HydrophobicContact CG1-CB 4.47Å; V92-P112 HydrophobicContact CG2-CG 4.33Å; V92-F124 HydrophobicContact CG2-CE2 4.33Å; V92-F124 HydrophobicContact CG2-CZ 4.2Å; V92-I128 HydrophobicContact CG1-CD1 4.26Å; V92-I211 HydrophobicContact CB-CB 4.15Å; V92-I211 PolarHBondContact N-O 3.44Å; V92-I211 PolarHBondContact O-N 3.49Å; V92-I213 HydrophobicContact CG2-CD1 3.98Å |
| 93 | R | 94.2 | Very high | 83.7 | Confident | 81 Ų | 81 | 74.7 Ų | 74.7 | 31% | 0.306 | 38% | 0.384 | S | S | . | . | trans | -90.5 | 164.7 | -175.6 | -72.4 | -167 | 169.2 | 130.7 | 17.7 | 113.1 | L91 D108 E202 E208 V210 | L91-R93 HydrophobicContact CD2-CG 3.81Å; L91-R93 HydrophobicContact CG-CG 4.32Å; R93-D108 PolarHBondContact O-N 3.28Å; R93-E202 IonicContact CZ-OE1 3.39Å; R93-E202 IonicContact CZ-OE2 3.63Å; R93-E202 IonicContact NH1-OE1 3.91Å; R93-E202 IonicContact NH1-OE2 3.59Å; R93-E202 PolarHBondContact NH1-OE2 2.6Å; R93-E202 IonicContact NH2-OE1 3.85Å; R93-E202 PolarHBondContact NH2-OE1 3.48Å; R93-E202 IonicContact NH2-OE2 2.88Å; R93-E202 PolarHBondContact NH2-OE2 3.2Å; R93-E208 IonicContact NE-OE1 3.63Å; R93-E208 PolarHBondContact NE-OE1 3.42Å; R93-V210 HydrophobicContact CG-CG1 4.13Å | ||
| 94 | G | 93 | Very high | 85.5 | Confident | 33 Ų | 33 | 67.1 Ų | 67.1 | 34% | 0.34 | 36% | 0.357 | S | S | . | . | B | Isolated β-bridge | trans | -62.8 | 133.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K106 | G94-K106 CarbonylContact C-O 3.58Å; G94-K106 WeakPolarHBondContact CA-O 3.4Å |
| 95 | A | 93.6 | Very high | 87.1 | Confident | 53 Ų | 53 | 60.4 Ų | 60.4 | 44% | 0.438 | 33% | 0.333 | S | S | . | . | trans | -120 | 18.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | K106 D108 | A95-K106 PolarHBondContact N-O 3.15Å; A95-D108 HydrophobicContact CB-CB 4.05Å | ||
| 96 | G | 88.4 | Confident | 88.9 | Confident | 26 Ų | 26 | 54.4 Ų | 54.4 | 27% | 0.268 | 31% | 0.311 | S | S | . | . | trans | -84.5 | 163.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S104 N105 K106 | G96-S104 WeakPolarHBondContact CA-OG 3.43Å; G96-S104 PolarHBondContact N-OG 3Å; G96-N105 WeakPolarHBondContact CA-OD1 3.35Å; G96-K106 PolarHBondContact N-O 3.07Å | ||
| 97 | H | 88.1 | Confident | 90.3 | Very high | 166 Ų | 166 | 53 Ų | 53 | 77% | 0.769 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -98.5 | -8.7 | 174.5 | 60.6 | -80.8 | 0 | 0 | 0 | 112.6 | N105 | H97-N105 PolarHBondContact N-OD1 3.13Š|
| 98 | I | 88.3 | Confident | 91.1 | Very high | 55 Ų | 55 | 52.1 Ų | 52.1 | 28% | 0.282 | 29% | 0.291 | S | S | . | . | trans | -119.4 | 130.1 | 177 | -57.6 | 169.8 | 0 | 0 | 0 | 107.3 | V100 N105 | I98-V100 HydrophobicContact CG2-CG2 4.12Å; I98-N105 HydrophobicContact CB-CB 4.23Å; I98-N105 PolarHBondContact O-N 2.91Å; I98-N105 PolarHBondContact O-OD1 3.27Å | ||
| 99 | T | 88.1 | Confident | 91.6 | Very high | 87 Ų | 87 | 48.1 Ų | 48.1 | 53% | 0.534 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 128.2 | 174 | -59.5 | 0 | 0 | 0 | 0 | 108.6 | L103 | T99-L103 WeakPolarHBondContact CA-O 3.45Å |
| 100 | V | 84.4 | Confident | 91.8 | Very high | 22 Ų | 22 | 52.2 Ų | 52.2 | 13% | 0.133 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 117.4 | 179 | -177.3 | 0 | 0 | 0 | 0 | 108 | I98 G102 L103 N168 | I98-V100 HydrophobicContact CG2-CG2 4.12Å; V100-G102 PolarHBondContact O-N 2.95Å; V100-G102 VanDerWaalsContact O-N 3.14Å; V100-L103 PolarHBondContact N-O 3.42Å; V100-L103 PolarHBondContact O-N 2.94Å; V100-N168 PolarHBondContact O-ND2 3.29Å |
| 101 | F | 83.5 | Confident | 92 | Very high | 100 Ų | 100 | 53.8 Ų | 53.8 | 44% | 0.439 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 42.5 | 46.1 | -172.6 | -54.8 | -77.6 | 0 | 0 | 0 | 114.2 | L103 V164 I165 N168 | F101-L103 VanDerWaalsContact C-N 3.3Å; F101-L103 PolarHBondContact O-N 3.25Å; F101-V164 HydrophobicContact CE2-CB 4.05Å; F101-V164 HydrophobicContact CE2-CG1 3.7Å; F101-V164 WeakPolarHBondContact CE2-O 3.37Å; F101-V164 HydrophobicContact CZ-CB 4.38Å; F101-V164 HydrophobicContact CZ-CG1 4.28Å; F101-I165 HydrophobicContact CE1-CG1 4.09Å; F101-I165 HydrophobicContact CE2-CG1 3.94Å; F101-I165 HydrophobicContact CZ-CG1 3.63Å; F101-N168 WeakPolarHBondContact CB-ND2 3.38Å; F101-N168 HydrophobicContact CD2-CB 4.32Å |
| 102 | G | 88.3 | Confident | 92 | Very high | 12 Ų | 12 | 51.8 Ų | 51.8 | 12% | 0.124 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | -7.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | V100 M207 E208 Y209 | V100-G102 PolarHBondContact O-N 2.95Å; V100-G102 VanDerWaalsContact O-N 3.14Å; G102-M207 WeakPolarHBondContact CA-O 3.48Å; G102-E208 CarbonylContact O-C 3.52Å; G102-E208 WeakPolarHBondContact O-CA 3.27Å; G102-Y209 PolarHBondContact O-N 3.4Å |
| 103 | L | 90.4 | Very high | 91.9 | Very high | 9 Ų | 9 | 56.1 Ų | 56.1 | 5% | 0.047 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 115.6 | 174.4 | -172.5 | 64 | 0 | 0 | 0 | 110.3 | T99 V100 F101 F107 L135 N168 T171 I175 Y209 | T99-L103 WeakPolarHBondContact CA-O 3.45Å; V100-L103 PolarHBondContact N-O 3.42Å; V100-L103 PolarHBondContact O-N 2.94Å; F101-L103 VanDerWaalsContact C-N 3.3Å; F101-L103 PolarHBondContact O-N 3.25Å; L103-F107 HydrophobicContact CD1-CE2 4.47Å; L103-F107 HydrophobicContact CD1-CZ 4.16Å; L103-L135 HydrophobicContact CD1-CD2 4.36Å; L103-L135 HydrophobicContact CD2-CD2 3.88Å; L103-L135 HydrophobicContact CG-CD2 4.05Å; L103-N168 WeakPolarHBondContact CB-OD1 3.46Å; L103-N168 WeakPolarHBondContact CD2-OD1 3.35Å; L103-T171 HydrophobicContact CD2-CG2 3.91Å; L103-I175 HydrophobicContact CD2-CD1 4.32Å; L103-Y209 HydrophobicContact CB-CD2 4.02Å; L103-Y209 HydrophobicContact CD1-CD2 4.41Å; L103-Y209 HydrophobicContact CD1-CG 4.25Å |
| 104 | S | 91.9 | Very high | 91.8 | Very high | 7 Ų | 7 | 56.6 Ų | 56.6 | 5% | 0.049 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 141.1 | 174.3 | 173.9 | 0 | 0 | 0 | 0 | 110.6 | G96 K106 | G96-S104 WeakPolarHBondContact CA-OG 3.43Å; G96-S104 PolarHBondContact N-OG 3Å; S104-K106 PolarHBondContact O-N 3.31Å; S104-K106 VanDerWaalsContact O-N 3.14Å; S104-K106 PolarHBondContact OG-N 3.13Å; S104-K106 PolarHBondContact OG-O 2.9Å |
| 105 | N | 91.4 | Very high | 91.8 | Very high | 18 Ų | 18 | 55 Ų | 55 | 10% | 0.096 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -71.4 | -3.9 | 177.3 | 75.2 | -20.3 | 0 | 0 | 0 | 115.1 | G96 H97 I98 L135 L139 | G96-N105 WeakPolarHBondContact CA-OD1 3.35Å; H97-N105 PolarHBondContact N-OD1 3.13Å; I98-N105 HydrophobicContact CB-CB 4.23Å; I98-N105 PolarHBondContact O-N 2.91Å; I98-N105 PolarHBondContact O-OD1 3.27Å; N105-L135 WeakPolarHBondContact O-CB 3.3Å; N105-L139 HydrophobicContact CB-CD1 3.89Å; N105-L139 HydrophobicContact CB-CD2 3.31Å; N105-L139 HydrophobicContact CB-CG 3.91Å |
| 106 | K | 95.1 | Very high | 91.8 | Very high | 76 Ų | 76 | 57.1 Ų | 57.1 | 33% | 0.33 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -154.4 | 136.7 | 174.9 | 179.5 | 178.4 | -179.5 | -62.8 | 0 | 109.6 | G94 A95 G96 S104 N132 | G94-K106 CarbonylContact C-O 3.58Å; G94-K106 WeakPolarHBondContact CA-O 3.4Å; A95-K106 PolarHBondContact N-O 3.15Å; G96-K106 PolarHBondContact N-O 3.07Å; S104-K106 PolarHBondContact O-N 3.31Å; S104-K106 VanDerWaalsContact O-N 3.14Å; S104-K106 PolarHBondContact OG-N 3.13Å; S104-K106 PolarHBondContact OG-O 2.9Å; K106-N132 WeakPolarHBondContact CA-OD1 3.1Å |
| 107 | F | 96.6 | Very high | 92 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 34% | 0.342 | C | S | . | . | B | Isolated β-bridge | trans | -90.9 | 155 | 165.8 | -71.8 | -73.8 | 0 | 0 | 0 | 111.7 | V92 L103 T109 I128 V131 N132 L135 L196 Y209 I211 | V92-F107 HydrophobicContact CG1-CB 4.43Å; L103-F107 HydrophobicContact CD1-CE2 4.47Å; L103-F107 HydrophobicContact CD1-CZ 4.16Å; F107-T109 PolarHBondContact O-N 3.24Å; F107-I128 HydrophobicContact CB-CD1 3.8Å; F107-I128 HydrophobicContact CB-CG1 4.22Å; F107-I128 HydrophobicContact CG-CD1 4.44Å; F107-V131 HydrophobicContact CD2-CG1 3.8Å; F107-V131 HydrophobicContact CE2-CG1 4.06Å; F107-N132 PolarHBondContact N-OD1 2.93Å; F107-N132 PolarHBondContact O-ND2 2.75Å; F107-L135 HydrophobicContact CD2-CD1 3.58Å; F107-L135 HydrophobicContact CE2-CD1 3.71Å; F107-L196 HydrophobicContact CZ-CD1 3.93Å; F107-Y209 WeakPolarHBondContact CE1-O 3.41Å; F107-I211 HydrophobicContact CB-CD1 4.46Å; F107-I211 HydrophobicContact CD1-CD1 4.13Å; F107-I211 HydrophobicContact CD1-CG1 4.31Å; F107-I211 HydrophobicContact CD2-CD1 3.68Å; F107-I211 HydrophobicContact CD2-CG1 4.42Å; F107-I211 HydrophobicContact CE1-CD1 4.33Å; F107-I211 HydrophobicContact CE1-CG1 4.12Å; F107-I211 HydrophobicContact CE2-CD1 3.86Å; F107-I211 HydrophobicContact CE2-CG1 4.2Å; F107-I211 HydrophobicContact CG-CD1 3.82Å; F107-I211 HydrophobicContact CG-CG1 4.47Å; F107-I211 HydrophobicContact CZ-CD1 4.2Å; F107-I211 HydrophobicContact CZ-CG1 4.06Å |
| 108 | D | 96.3 | Very high | 92.3 | Very high | 59 Ų | 59 | 57.4 Ų | 57.4 | 32% | 0.316 | 33% | 0.33 | S | S | . | . | trans | -59.8 | 138.2 | 174 | -161.2 | -4 | 0 | 0 | 0 | 110.8 | V92 R93 A95 E110 I128 | V92-D108 HydrophobicContact CG1-CB 4.47Å; R93-D108 PolarHBondContact O-N 3.28Å; A95-D108 HydrophobicContact CB-CB 4.05Å; D108-E110 PolarHBondContact OD1-N 3.37Å; D108-I128 WeakPolarHBondContact O-CG1 3.4Å | ||
| 109 | T | 95.9 | Very high | 92.7 | Very high | 61 Ų | 61 | 55.2 Ų | 55.2 | 37% | 0.374 | 32% | 0.319 | S | S | . | . | trans | -107.3 | -4 | -179.9 | 50.5 | 0 | 0 | 0 | 0 | 111.8 | F107 I128 N132 | F107-T109 PolarHBondContact O-N 3.24Å; T109-I128 HydrophobicContact CG2-CG2 4.17Å; T109-N132 WeakPolarHBondContact CG2-ND2 3.4Å | ||
| 110 | E | 96.8 | Very high | 93 | Very high | 146 Ų | 146 | 53.5 Ų | 53.5 | 68% | 0.682 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -61.2 | 134.5 | 171.6 | -171.5 | 170.4 | -179.9 | 0 | 0 | 110.3 | D108 P112 F124 | D108-E110 PolarHBondContact OD1-N 3.37Å; E110-P112 WeakPolarHBondContact O-CD 3.41Å; E110-F124 WeakPolarHBondContact O-CE1 3.49Å |
| 111 | F | 96.4 | Very high | 93.6 | Very high | 47 Ų | 47 | 55.6 Ų | 55.6 | 21% | 0.206 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -76 | 122.4 | -178.1 | -179.9 | -100 | 0 | 0 | 0 | 110.4 | S113 L115 V119 P121 F124 | F111-S113 PolarHBondContact O-N 2.77Å; F111-L115 HydrophobicContact CE1-CB 4.36Å; F111-L115 HydrophobicContact CE2-CB 4.19Å; F111-L115 HydrophobicContact CZ-CB 3.73Å; F111-V119 HydrophobicContact CE2-CG1 4.09Å; F111-V119 HydrophobicContact CZ-CG1 4.36Å; F111-P121 HydrophobicContact CD1-CG 4.27Å; F111-P121 HydrophobicContact CD2-CB 3.92Å; F111-P121 HydrophobicContact CD2-CG 4.26Å; F111-P121 HydrophobicContact CE1-CG 4.21Å; F111-P121 HydrophobicContact CE2-CB 4.22Å; F111-P121 HydrophobicContact CE2-CG 4.19Å; F111-P121 HydrophobicContact CG-CB 4.08Å; F111-P121 HydrophobicContact CG-CG 4.28Å; F111-P121 HydrophobicContact CZ-CG 4.16Å; F111-F124 HydrophobicContact CD2-CB 3.76Å; F111-F124 AromaticContact CD2-CD1 3.85Å; F111-F124 HydrophobicContact CD2-CD1 3.85Å; F111-F124 AromaticContact CD2-CG 3.8Å; F111-F124 HydrophobicContact CD2-CG 3.8Å; F111-F124 HydrophobicContact CE2-CB 3.84Å; F111-F124 HydrophobicContact CE2-CG 4.17Å |
| 112 | P | 94.9 | Very high | 94.3 | Very high | 24 Ų | 24 | 57 Ų | 57 | 16% | 0.156 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -68 | 120.6 | 178 | -17.9 | 30.7 | 0 | 0 | 0 | 111.1 | V90 V92 E110 V114 L115 F124 | V90-P112 HydrophobicContact CG1-CB 3.56Å; V90-P112 HydrophobicContact CG1-CG 3.87Å; V92-P112 HydrophobicContact CG2-CG 4.33Å; E110-P112 WeakPolarHBondContact O-CD 3.41Å; P112-V114 PolarHBondContact O-N 2.8Å; P112-V114 VanDerWaalsContact O-N 3.13Å; P112-L115 HydrophobicContact CB-CD1 4.16Å; P112-L115 HydrophobicContact CB-CG 4.19Å; P112-L115 HydrophobicContact CG-CD1 3.96Å; P112-L115 WeakPolarHBondContact O-CB 3.46Å; P112-L115 PolarHBondContact O-N 2.88Å; P112-F124 HydrophobicContact CG-CE2 4.1Å; P112-F124 HydrophobicContact CG-CZ 4.01Å |
| 113 | S | 93.8 | Very high | 94.7 | Very high | 96 Ų | 96 | 59.9 Ų | 59.9 | 67% | 0.671 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -60.5 | -25.1 | -178.5 | 58.5 | 0 | 0 | 0 | 0 | 113.8 | F111 L115 T116 | F111-S113 PolarHBondContact O-N 2.77Å; S113-L115 PolarHBondContact O-N 2.84Å; S113-T116 WeakPolarHBondContact O-CB 3.46Å; S113-T116 PolarHBondContact O-N 2.87Å; S113-T116 VanDerWaalsContact O-N 3.07Å; S113-T116 PolarHBondContact O-OG1 2.8Å |
| 114 | V | 92.9 | Very high | 95 | Very high | 91 Ų | 91 | 59.5 Ų | 59.5 | 55% | 0.552 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -63 | -24.9 | 175.1 | -173.2 | 0 | 0 | 0 | 0 | 111.9 | V90 P112 T116 F215 | V90-V114 HydrophobicContact CG2-CB 3.89Å; V90-V114 HydrophobicContact CG2-CG1 3.88Å; P112-V114 PolarHBondContact O-N 2.8Å; P112-V114 VanDerWaalsContact O-N 3.13Å; V114-T116 VanDerWaalsContact C-N 3.33Å; V114-F215 HydrophobicContact CG1-CZ 4.14Å |
| 115 | L | 93.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -86.6 | -3.1 | 178 | -62.1 | -179.2 | 0 | 0 | 0 | 113.3 | V90 F111 P112 S113 G117 K118 V119 F124 L192 I213 F215 | V90-L115 HydrophobicContact CG2-CD2 4.07Å; V90-L115 HydrophobicContact CG2-CG 4.34Å; F111-L115 HydrophobicContact CE1-CB 4.36Å; F111-L115 HydrophobicContact CE2-CB 4.19Å; F111-L115 HydrophobicContact CZ-CB 3.73Å; P112-L115 HydrophobicContact CB-CD1 4.16Å; P112-L115 HydrophobicContact CB-CG 4.19Å; P112-L115 HydrophobicContact CG-CD1 3.96Å; P112-L115 WeakPolarHBondContact O-CB 3.46Å; P112-L115 PolarHBondContact O-N 2.88Å; S113-L115 PolarHBondContact O-N 2.84Å; L115-G117 PolarHBondContact O-N 2.9Å; L115-K118 WeakPolarHBondContact O-CB 3.39Å; L115-K118 PolarHBondContact O-N 3.39Å; L115-V119 HydrophobicContact CB-CG1 3.9Å; L115-V119 HydrophobicContact CD1-CG1 4.17Å; L115-V119 PolarHBondContact O-N 2.92Å; L115-F124 HydrophobicContact CD1-CD2 4.1Å; L115-F124 HydrophobicContact CD1-CE2 4.26Å; L115-L192 HydrophobicContact CD2-CD1 4.33Å; L115-L192 HydrophobicContact CD2-CD2 4.24Å; L115-I213 HydrophobicContact CD1-CD1 3.78Å; L115-I213 HydrophobicContact CD2-CG2 4.23Å; L115-F215 HydrophobicContact CD2-CE1 4.47Å; L115-F215 HydrophobicContact CD2-CZ 4.17Å |
| 116 | T | 93.5 | Very high | 95.6 | Very high | 97 Ų | 97 | 67.2 Ų | 67.2 | 60% | 0.595 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 127.6 | 177.8 | -64.5 | 0 | 0 | 0 | 0 | 110.6 | S113 V114 K118 | S113-T116 WeakPolarHBondContact O-CB 3.46Å; S113-T116 PolarHBondContact O-N 2.87Å; S113-T116 VanDerWaalsContact O-N 3.07Å; S113-T116 PolarHBondContact O-OG1 2.8Å; V114-T116 VanDerWaalsContact C-N 3.33Å; T116-K118 VanDerWaalsContact C-N 3.27Å; T116-K118 PolarHBondContact O-N 3.39Å |
| 117 | G | 92.6 | Very high | 95.7 | Very high | 80 Ų | 80 | 63.6 Ų | 63.6 | 83% | 0.825 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.8 | 0.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L115 | L115-G117 PolarHBondContact O-N 2.9Š|
| 118 | K | 92.9 | Very high | 95.8 | Very high | 118 Ų | 118 | 63.6 Ų | 63.6 | 51% | 0.513 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -47.5 | 174.1 | -59.4 | -66.8 | -173.5 | 170.6 | 0 | 112.3 | L115 T116 L192 | L115-K118 WeakPolarHBondContact O-CB 3.39Å; L115-K118 PolarHBondContact O-N 3.39Å; T116-K118 VanDerWaalsContact C-N 3.27Å; T116-K118 PolarHBondContact O-N 3.39Å; K118-L192 HydrophobicContact CB-CD1 4.35Å |
| 119 | V | 96.4 | Very high | 95.9 | Very high | 9 Ų | 9 | 62.3 Ų | 62.3 | 6% | 0.055 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -131 | 147.3 | 175.8 | 59.9 | 0 | 0 | 0 | 0 | 109.5 | F111 L115 E123 Y187 L190 L192 | F111-V119 HydrophobicContact CE2-CG1 4.09Å; F111-V119 HydrophobicContact CZ-CG1 4.36Å; L115-V119 HydrophobicContact CB-CG1 3.9Å; L115-V119 HydrophobicContact CD1-CG1 4.17Å; L115-V119 PolarHBondContact O-N 2.92Å; V119-E123 HydrophobicContact CG2-CB 4.01Å; V119-Y187 HydrophobicContact CB-CE1 4.44Å; V119-Y187 HydrophobicContact CG2-CE1 3.94Å; V119-L190 HydrophobicContact CB-CD1 3.82Å; V119-L190 HydrophobicContact CG2-CD1 3.87Å; V119-L192 HydrophobicContact CB-CD1 4.33Å; V119-L192 HydrophobicContact CG1-CD1 4.33Å |
| 120 | A | 96.1 | Very high | 95.9 | Very high | 51 Ų | 51 | 63.4 Ų | 63.4 | 42% | 0.421 | 36% | 0.363 | S | S | . | . | trans | -70.6 | 138.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | E122 E123 F124 | A120-E122 PolarHBondContact O-N 2.7Å; A120-E123 HydrophobicContact CB-CB 4.45Å; A120-E123 HydrophobicContact CB-CG 4.09Å; A120-E123 PolarHBondContact O-N 3.34Å; A120-E123 VanDerWaalsContact O-N 3.08Å; A120-F124 PolarHBondContact O-N 3.18Å; A120-F124 VanDerWaalsContact O-N 3.13Å | ||
| 121 | P | 96.9 | Very high | 96 | Very high | 66 Ų | 66 | 56.5 Ų | 56.5 | 43% | 0.429 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -56.1 | -34.5 | 178.7 | -27.8 | 35.3 | 0 | 0 | 0 | 114.2 | F111 F124 K125 | F111-P121 HydrophobicContact CD1-CG 4.27Å; F111-P121 HydrophobicContact CD2-CB 3.92Å; F111-P121 HydrophobicContact CD2-CG 4.26Å; F111-P121 HydrophobicContact CE1-CG 4.21Å; F111-P121 HydrophobicContact CE2-CB 4.22Å; F111-P121 HydrophobicContact CE2-CG 4.19Å; F111-P121 HydrophobicContact CG-CB 4.08Å; F111-P121 HydrophobicContact CG-CG 4.28Å; F111-P121 HydrophobicContact CZ-CG 4.16Å; P121-F124 PolarHBondContact O-N 3.14Å; P121-K125 VanDerWaalsContact O-CB 3.26Å; P121-K125 WeakPolarHBondContact O-CB 3.35Å; P121-K125 PolarHBondContact O-N 2.82Å |
| 122 | E | 96.9 | Very high | 96 | Very high | 130 Ų | 130 | 55.3 Ų | 55.3 | 61% | 0.607 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -69 | -35.3 | 178.5 | -57.7 | -51.6 | 136.4 | 0 | 0 | 112.8 | A120 T126 | A120-E122 PolarHBondContact O-N 2.7Å; E122-T126 WeakPolarHBondContact O-CB 3.37Å; E122-T126 PolarHBondContact O-N 3.32Å; E122-T126 PolarHBondContact O-OG1 3.45Å |
| 123 | E | 96.9 | Very high | 96.1 | Very high | 73 Ų | 73 | 56.4 Ų | 56.4 | 34% | 0.341 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -69.4 | -46.2 | 175.7 | -65.8 | -64.2 | 161.8 | 0 | 0 | 110.1 | V119 A120 K125 T126 S127 L186 | V119-E123 HydrophobicContact CG2-CB 4.01Å; A120-E123 HydrophobicContact CB-CB 4.45Å; A120-E123 HydrophobicContact CB-CG 4.09Å; A120-E123 PolarHBondContact O-N 3.34Å; A120-E123 VanDerWaalsContact O-N 3.08Å; E123-K125 VanDerWaalsContact C-N 3.34Å; E123-K125 PolarHBondContact O-N 2.77Å; E123-T126 WeakPolarHBondContact O-CB 3.39Å; E123-T126 PolarHBondContact O-N 2.83Å; E123-T126 VanDerWaalsContact O-N 3.13Å; E123-S127 PolarHBondContact O-N 2.84Å; E123-S127 PolarHBondContact O-OG 3.34Å; E123-S127 VanDerWaalsContact O-OG 3.13Å; E123-L186 HydrophobicContact CB-CD2 3.84Å; E123-L186 HydrophobicContact CG-CD2 4.18Å |
| 124 | F | 97.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 53 Ų | 53 | 0% | 0.004 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -54.6 | -50.9 | 173.4 | 175.5 | -90.8 | 0 | 0 | 0 | 111.4 | V92 E110 F111 P112 L115 A120 P121 T126 S127 I128 W194 I213 | V92-F124 HydrophobicContact CG2-CE2 4.33Å; V92-F124 HydrophobicContact CG2-CZ 4.2Å; E110-F124 WeakPolarHBondContact O-CE1 3.49Å; F111-F124 HydrophobicContact CD2-CB 3.76Å; F111-F124 AromaticContact CD2-CD1 3.85Å; F111-F124 HydrophobicContact CD2-CD1 3.85Å; F111-F124 AromaticContact CD2-CG 3.8Å; F111-F124 HydrophobicContact CD2-CG 3.8Å; F111-F124 HydrophobicContact CE2-CB 3.84Å; F111-F124 HydrophobicContact CE2-CG 4.17Å; P112-F124 HydrophobicContact CG-CE2 4.1Å; P112-F124 HydrophobicContact CG-CZ 4.01Å; L115-F124 HydrophobicContact CD1-CD2 4.1Å; L115-F124 HydrophobicContact CD1-CE2 4.26Å; A120-F124 PolarHBondContact O-N 3.18Å; A120-F124 VanDerWaalsContact O-N 3.13Å; P121-F124 PolarHBondContact O-N 3.14Å; F124-T126 PolarHBondContact O-N 3.25Å; F124-S127 PolarHBondContact O-N 3.35Å; F124-I128 HydrophobicContact CD1-CG2 4.37Å; F124-I128 HydrophobicContact CE1-CB 4.49Å; F124-I128 HydrophobicContact CE1-CG2 4.11Å; F124-I128 WeakPolarHBondContact O-CG2 3.46Å; F124-I128 PolarHBondContact O-N 3.43Å; F124-W194 AromaticContact CD2-CH2 3.77Å; F124-W194 HydrophobicContact CD2-CH2 3.77Å; F124-W194 AromaticContact CD2-CZ2 3.51Å; F124-W194 HydrophobicContact CD2-CZ2 3.51Å; F124-W194 AromaticContact CE2-CH2 3.64Å; F124-W194 HydrophobicContact CE2-CH2 3.64Å; F124-W194 AromaticContact CE2-CZ2 3.63Å; F124-W194 HydrophobicContact CE2-CZ2 3.63Å; F124-W194 HydrophobicContact CZ-CH2 4.46Å; F124-I213 HydrophobicContact CE2-CD1 3.93Å |
| 125 | K | 97.5 | Very high | 96.1 | Very high | 125 Ų | 125 | 49 Ų | 49 | 54% | 0.543 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.2 | -34.4 | 179.7 | -171.5 | 176.4 | -179.7 | -178.4 | 0 | 112.2 | P121 E123 G129 | P121-K125 VanDerWaalsContact O-CB 3.26Å; P121-K125 WeakPolarHBondContact O-CB 3.35Å; P121-K125 PolarHBondContact O-N 2.82Å; E123-K125 VanDerWaalsContact C-N 3.34Å; E123-K125 PolarHBondContact O-N 2.77Å; K125-G129 WeakPolarHBondContact O-CA 3.5Å; K125-G129 PolarHBondContact O-N 3.13Å |
| 126 | T | 97.8 | Very high | 96 | Very high | 61 Ų | 61 | 56.6 Ų | 56.6 | 37% | 0.374 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -69.7 | -49.6 | 175.6 | -61.7 | 0 | 0 | 0 | 0 | 111.3 | E122 E123 F124 G129 R130 | E122-T126 WeakPolarHBondContact O-CB 3.37Å; E122-T126 PolarHBondContact O-N 3.32Å; E122-T126 PolarHBondContact O-OG1 3.45Å; E123-T126 WeakPolarHBondContact O-CB 3.39Å; E123-T126 PolarHBondContact O-N 2.83Å; E123-T126 VanDerWaalsContact O-N 3.13Å; F124-T126 PolarHBondContact O-N 3.25Å; T126-G129 WeakPolarHBondContact O-CA 3.38Å; T126-G129 PolarHBondContact O-N 3.44Å; T126-R130 PolarHBondContact O-N 3.34Å |
| 127 | S | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.1 | -51.1 | 179.8 | -53.5 | 0 | 0 | 0 | 0 | 111.3 | E123 F124 G129 R130 V131 E182 Y187 | E123-S127 PolarHBondContact O-N 2.84Å; E123-S127 PolarHBondContact O-OG 3.34Å; E123-S127 VanDerWaalsContact O-OG 3.13Å; F124-S127 PolarHBondContact O-N 3.35Å; S127-G129 PolarHBondContact O-N 2.93Å; S127-R130 PolarHBondContact O-N 3.24Å; S127-R130 VanDerWaalsContact O-N 3.13Å; S127-V131 PolarHBondContact O-N 3.46Å; S127-E182 WeakPolarHBondContact CB-OE2 3.23Å; S127-E182 VanDerWaalsContact OG-CD 3.31Å; S127-E182 PolarHBondContact OG-OE2 2.93Å; S127-Y187 WeakPolarHBondContact CB-OH 3.35Å; S127-Y187 WeakPolarHBondContact OG-CE2 3.33Å; S127-Y187 PolarHBondContact OG-OH 3.26Å |
| 128 | I | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.8 | -30.3 | 177.2 | -159.1 | 65 | 0 | 0 | 0 | 111.7 | V92 F107 D108 T109 F124 V131 N132 W194 I211 | V92-I128 HydrophobicContact CG1-CD1 4.26Å; F107-I128 HydrophobicContact CB-CD1 3.8Å; F107-I128 HydrophobicContact CB-CG1 4.22Å; F107-I128 HydrophobicContact CG-CD1 4.44Å; D108-I128 WeakPolarHBondContact O-CG1 3.4Å; T109-I128 HydrophobicContact CG2-CG2 4.17Å; F124-I128 HydrophobicContact CD1-CG2 4.37Å; F124-I128 HydrophobicContact CE1-CB 4.49Å; F124-I128 HydrophobicContact CE1-CG2 4.11Å; F124-I128 WeakPolarHBondContact O-CG2 3.46Å; F124-I128 PolarHBondContact O-N 3.43Å; I128-V131 PolarHBondContact O-N 2.89Å; I128-N132 WeakPolarHBondContact O-CB 3.15Å; I128-N132 PolarHBondContact O-N 3.46Å; I128-N132 PolarHBondContact O-ND2 2.9Å; I128-W194 HydrophobicContact CB-CH2 4.34Å; I128-W194 HydrophobicContact CD1-CH2 4.47Å; I128-W194 HydrophobicContact CD1-CZ3 4.05Å; I128-I211 HydrophobicContact CD1-CD1 3.53Å |
| 129 | G | 97.8 | Very high | 95.3 | Very high | 33 Ų | 33 | 53.1 Ų | 53.1 | 34% | 0.34 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K125 T126 S127 N132 A133 | K125-G129 WeakPolarHBondContact O-CA 3.5Å; K125-G129 PolarHBondContact O-N 3.13Å; T126-G129 WeakPolarHBondContact O-CA 3.38Å; T126-G129 PolarHBondContact O-N 3.44Å; S127-G129 PolarHBondContact O-N 2.93Å; G129-N132 PolarHBondContact O-N 2.9Å; G129-A133 WeakPolarHBondContact O-CB 3.43Å; G129-A133 PolarHBondContact O-N 3.07Å |
| 130 | R | 97.4 | Very high | 94.7 | Very high | 84 Ų | 84 | 56.8 Ų | 56.8 | 32% | 0.317 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.4 | -43 | 174.4 | -69.5 | -177.3 | -178.4 | 121.3 | 9.4 | 111.7 | T126 S127 N132 A133 C134 L178 E182 R185 | T126-R130 PolarHBondContact O-N 3.34Å; S127-R130 PolarHBondContact O-N 3.24Å; S127-R130 VanDerWaalsContact O-N 3.13Å; R130-N132 PolarHBondContact O-N 3.5Å; R130-A133 WeakPolarHBondContact O-CB 3.45Å; R130-A133 PolarHBondContact O-N 3.37Å; R130-C134 PolarHBondContact O-N 3.32Å; R130-L178 HydrophobicContact CB-CD1 4.3Å; R130-L178 HydrophobicContact CB-CD2 3.9Å; R130-E182 WeakPolarHBondContact CD-OE1 3.36Å; R130-E182 IonicContact CZ-OE1 3.4Å; R130-E182 IonicContact NE-OE1 2.87Å; R130-E182 IonicContact NH1-OE1 2.6Å; R130-E182 PolarHBondContact NH1-OE1 2.92Å; R130-E182 IonicContact NH1-OE2 2.67Å; R130-R185 VanDerWaalsContact NH2-NH1 3.18Å |
| 131 | V | 97.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.006 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.6 | -48.7 | 175.2 | 176.5 | 0 | 0 | 0 | 0 | 110.6 | F107 S127 I128 A133 C134 L135 I175 L178 I179 I211 | F107-V131 HydrophobicContact CD2-CG1 3.8Å; F107-V131 HydrophobicContact CE2-CG1 4.06Å; S127-V131 PolarHBondContact O-N 3.46Å; I128-V131 PolarHBondContact O-N 2.89Å; V131-A133 VanDerWaalsContact C-N 3.27Å; V131-A133 PolarHBondContact O-N 3.13Å; V131-C134 WeakPolarHBondContact O-CB 3.45Å; V131-C134 PolarHBondContact O-N 3.21Å; V131-C134 VanDerWaalsContact O-N 3.1Å; V131-L135 HydrophobicContact CG1-CD1 4.32Å; V131-L135 PolarHBondContact O-N 2.69Å; V131-I175 HydrophobicContact CG1-CG1 4.4Å; V131-I175 HydrophobicContact CG1-CG2 3.91Å; V131-L178 HydrophobicContact CB-CD2 4.37Å; V131-L178 HydrophobicContact CG2-CD2 3.82Å; V131-I179 HydrophobicContact CG2-CG1 4.39Å; V131-I211 HydrophobicContact CG1-CD1 4.16Å |
| 132 | N | 96.9 | Very high | 93.6 | Very high | 21 Ų | 21 | 55.3 Ų | 55.3 | 11% | 0.112 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.3 | -31.7 | 177.5 | -76.3 | -33 | 0 | 0 | 0 | 113 | K106 F107 T109 I128 G129 R130 K136 | K106-N132 WeakPolarHBondContact CA-OD1 3.1Å; F107-N132 PolarHBondContact N-OD1 2.93Å; F107-N132 PolarHBondContact O-ND2 2.75Å; T109-N132 WeakPolarHBondContact CG2-ND2 3.4Å; I128-N132 WeakPolarHBondContact O-CB 3.15Å; I128-N132 PolarHBondContact O-N 3.46Å; I128-N132 PolarHBondContact O-ND2 2.9Å; G129-N132 PolarHBondContact O-N 2.9Å; R130-N132 PolarHBondContact O-N 3.5Å; N132-K136 VanDerWaalsContact O-CB 3.32Å; N132-K136 WeakPolarHBondContact O-CB 3.32Å; N132-K136 PolarHBondContact O-N 3.38Å |
| 133 | A | 96.3 | Very high | 93 | Very high | 47 Ų | 47 | 51.7 Ų | 51.7 | 39% | 0.388 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68.3 | -38 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G129 R130 V131 K136 K137 | G129-A133 WeakPolarHBondContact O-CB 3.43Å; G129-A133 PolarHBondContact O-N 3.07Å; R130-A133 WeakPolarHBondContact O-CB 3.45Å; R130-A133 PolarHBondContact O-N 3.37Å; V131-A133 VanDerWaalsContact C-N 3.27Å; V131-A133 PolarHBondContact O-N 3.13Å; A133-K136 PolarHBondContact O-N 2.89Å; A133-K137 WeakPolarHBondContact O-CG 3.43Å; A133-K137 PolarHBondContact O-N 2.97Å; A133-K137 VanDerWaalsContact O-N 3.17Å |
| 134 | C | 94.3 | Very high | 92.4 | Very high | 25 Ų | 25 | 55.8 Ų | 55.8 | 17% | 0.169 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.9 | -52.5 | 172.6 | -175.5 | 0 | 0 | 0 | 0 | 110.9 | R130 V131 K136 K137 A138 S174 I175 | R130-C134 PolarHBondContact O-N 3.32Å; V131-C134 WeakPolarHBondContact O-CB 3.45Å; V131-C134 PolarHBondContact O-N 3.21Å; V131-C134 VanDerWaalsContact O-N 3.1Å; C134-K136 VanDerWaalsContact C-N 3.31Å; C134-K136 PolarHBondContact O-N 3.14Å; C134-K137 PolarHBondContact O-N 3.21Å; C134-K137 VanDerWaalsContact O-N 3.08Å; C134-A138 PolarHBondContact O-N 2.96Å; C134-A138 VanDerWaalsContact O-N 3.13Å; C134-S174 PolarHBondContact SG-OG 3.19Å; C134-S174 VanDerWaalsContact SG-OG 3.38Å; C134-I175 HydrophobicContact CB-CG1 4.5Å |
| 135 | L | 93.5 | Very high | 91.7 | Very high | 7 Ų | 7 | 61.4 Ų | 61.4 | 4% | 0.037 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -54.8 | -45.7 | 176.7 | -72.8 | 167.8 | 0 | 0 | 0 | 112.3 | L103 N105 F107 V131 K137 A138 L139 T171 I175 | L103-L135 HydrophobicContact CD1-CD2 4.36Å; L103-L135 HydrophobicContact CD2-CD2 3.88Å; L103-L135 HydrophobicContact CG-CD2 4.05Å; N105-L135 WeakPolarHBondContact O-CB 3.3Å; F107-L135 HydrophobicContact CD2-CD1 3.58Å; F107-L135 HydrophobicContact CE2-CD1 3.71Å; V131-L135 HydrophobicContact CG1-CD1 4.32Å; V131-L135 PolarHBondContact O-N 2.69Å; L135-K137 VanDerWaalsContact C-N 3.28Å; L135-K137 PolarHBondContact O-N 2.62Å; L135-A138 PolarHBondContact O-N 2.84Å; L135-L139 WeakPolarHBondContact O-CG 3.32Å; L135-L139 PolarHBondContact O-N 3.1Å; L135-L139 VanDerWaalsContact O-N 3.1Å; L135-T171 HydrophobicContact CD2-CG2 4.1Å; L135-I175 HydrophobicContact CD2-CD1 3.48Å; L135-I175 VanDerWaalsContact CD2-CD1 3.48Å; L135-I175 HydrophobicContact CG-CD1 3.8Å |
| 136 | K | 92.1 | Very high | 90.9 | Very high | 160 Ų | 160 | 59 Ų | 59 | 70% | 0.696 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -62.8 | -33.3 | 179.9 | -172.5 | 176.5 | 180 | -178.5 | 0 | 113.1 | N132 A133 C134 | N132-K136 VanDerWaalsContact O-CB 3.32Å; N132-K136 WeakPolarHBondContact O-CB 3.32Å; N132-K136 PolarHBondContact O-N 3.38Å; A133-K136 PolarHBondContact O-N 2.89Å; C134-K136 VanDerWaalsContact C-N 3.31Å; C134-K136 PolarHBondContact O-N 3.14Å |
| 137 | K | 91.1 | Very high | 90.1 | Very high | 167 Ų | 167 | 61.5 Ų | 61.5 | 73% | 0.726 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -73.1 | -34.9 | 176.6 | -72.5 | 174.4 | -179.2 | -176 | 0 | 112.1 | A133 C134 L135 P140 | A133-K137 WeakPolarHBondContact O-CG 3.43Å; A133-K137 PolarHBondContact O-N 2.97Å; A133-K137 VanDerWaalsContact O-N 3.17Å; C134-K137 PolarHBondContact O-N 3.21Å; C134-K137 VanDerWaalsContact O-N 3.08Å; L135-K137 VanDerWaalsContact C-N 3.28Å; L135-K137 PolarHBondContact O-N 2.62Å; K137-P140 WeakPolarHBondContact O-CD 3.41Å |
| 138 | A | 86.9 | Confident | 89.2 | Confident | 18 Ų | 18 | 64.3 Ų | 64.3 | 15% | 0.149 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -72.8 | -29.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | C134 L135 V141 N142 T171 | C134-A138 PolarHBondContact O-N 2.96Å; C134-A138 VanDerWaalsContact O-N 3.13Å; L135-A138 PolarHBondContact O-N 2.84Å; A138-V141 PolarHBondContact O-N 3.47Å; A138-N142 VanDerWaalsContact O-CG 3.23Å; A138-N142 PolarHBondContact O-N 3.47Å; A138-N142 PolarHBondContact O-OD1 3.19Å; A138-T171 HydrophobicContact CB-CG2 3.85Å; A138-T171 WeakPolarHBondContact CB-OG1 3.41Å |
| 139 | L | 85.8 | Confident | 88.2 | Confident | 37 Ų | 37 | 64.7 Ų | 64.7 | 19% | 0.194 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -46.6 | -55.4 | -177.1 | -83.2 | 177.2 | 0 | 0 | 0 | 116.5 | N105 L135 V141 N142 V143 | N105-L139 HydrophobicContact CB-CD1 3.89Å; N105-L139 HydrophobicContact CB-CD2 3.31Å; N105-L139 HydrophobicContact CB-CG 3.91Å; L135-L139 WeakPolarHBondContact O-CG 3.32Å; L135-L139 PolarHBondContact O-N 3.1Å; L135-L139 VanDerWaalsContact O-N 3.1Å; L139-V141 VanDerWaalsContact C-N 3.29Å; L139-V141 PolarHBondContact O-N 2.74Å; L139-N142 PolarHBondContact O-N 3.06Å; L139-V143 WeakPolarHBondContact O-CB 3.43Å; L139-V143 VanDerWaalsContact O-CG2 3.29Å; L139-V143 WeakPolarHBondContact O-CG2 3.47Å; L139-V143 PolarHBondContact O-N 3.33Å |
| 140 | P | 84.8 | Confident | 87.1 | Confident | 85 Ų | 85 | 66.8 Ų | 66.8 | 55% | 0.552 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.5 | -35.1 | -176.4 | 24 | -34.8 | 0 | 0 | 0 | 112.9 | K137 K144 | K137-P140 WeakPolarHBondContact O-CD 3.41Å; P140-K144 WeakPolarHBondContact O-CB 3.44Å; P140-K144 PolarHBondContact O-N 2.86Å |
| 141 | V | 85.6 | Confident | 86 | Confident | 69 Ų | 69 | 69 Ų | 69 | 42% | 0.418 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.8 | -52.2 | 175.7 | -179.2 | 0 | 0 | 0 | 0 | 108.8 | A138 L139 V143 K144 W145 L167 | A138-V141 PolarHBondContact O-N 3.47Å; L139-V141 VanDerWaalsContact C-N 3.29Å; L139-V141 PolarHBondContact O-N 2.74Å; V141-V143 VanDerWaalsContact C-N 3.31Å; V141-V143 PolarHBondContact O-N 3.1Å; V141-K144 PolarHBondContact O-N 3.14Å; V141-K144 VanDerWaalsContact O-N 3.12Å; V141-W145 PolarHBondContact O-N 2.99Å; V141-L167 HydrophobicContact CG1-CD2 3.82Å |
| 142 | N | 82.9 | Confident | 84.5 | Confident | 18 Ų | 18 | 71.3 Ų | 71.3 | 10% | 0.096 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -58 | -41.6 | 179.5 | -63.6 | -3.1 | 0 | 0 | 0 | 112.2 | A138 L139 L146 | A138-N142 VanDerWaalsContact O-CG 3.23Å; A138-N142 PolarHBondContact O-N 3.47Å; A138-N142 PolarHBondContact O-OD1 3.19Å; L139-N142 PolarHBondContact O-N 3.06Å; N142-L146 WeakPolarHBondContact O-CB 3.32Å; N142-L146 PolarHBondContact O-N 3.49Å |
| 143 | V | 84.1 | Confident | 82.7 | Confident | 54 Ų | 54 | 73.2 Ų | 73.2 | 33% | 0.327 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.4 | -42 | 177.5 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | L139 V141 W145 L146 L147 | L139-V143 WeakPolarHBondContact O-CB 3.43Å; L139-V143 VanDerWaalsContact O-CG2 3.29Å; L139-V143 WeakPolarHBondContact O-CG2 3.47Å; L139-V143 PolarHBondContact O-N 3.33Å; V141-V143 VanDerWaalsContact C-N 3.31Å; V141-V143 PolarHBondContact O-N 3.1Å; V143-W145 VanDerWaalsContact C-N 3.34Å; V143-W145 PolarHBondContact O-N 3.29Å; V143-L146 PolarHBondContact O-N 3.41Å; V143-L147 HydrophobicContact CG1-CD1 3.83Å; V143-L147 HydrophobicContact CG1-CG 4.22Å; V143-L147 WeakPolarHBondContact O-CB 3.47Å; V143-L147 VanDerWaalsContact O-CG 3.24Å; V143-L147 WeakPolarHBondContact O-CG 3.34Å; V143-L147 PolarHBondContact O-N 3.35Å |
| 144 | K | 85 | Confident | 81 | Confident | 159 Ų | 159 | 76 Ų | 76 | 69% | 0.691 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -59.4 | -46.8 | 177.7 | 179.7 | 175.8 | 174.1 | 175.4 | 0 | 111 | P140 V141 L147 C148 | P140-K144 WeakPolarHBondContact O-CB 3.44Å; P140-K144 PolarHBondContact O-N 2.86Å; V141-K144 PolarHBondContact O-N 3.14Å; V141-K144 VanDerWaalsContact O-N 3.12Å; K144-L147 PolarHBondContact O-N 3.07Å; K144-C148 WeakPolarHBondContact O-CB 3.34Å; K144-C148 PolarHBondContact O-N 3.01Å |
| 145 | W | 82.3 | Confident | 79.2 | Confident | 118 Ų | 118 | 79.8 Ų | 79.8 | 45% | 0.447 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -70.7 | -37.5 | 178.8 | -75.1 | 107.5 | 0 | 0 | 0 | 113.1 | V141 V143 L147 C148 G149 P163 L167 | V141-W145 PolarHBondContact O-N 2.99Å; V143-W145 VanDerWaalsContact C-N 3.34Å; V143-W145 PolarHBondContact O-N 3.29Å; W145-L147 PolarHBondContact O-N 2.84Å; W145-C148 PolarHBondContact O-N 3.3Å; W145-G149 PolarHBondContact O-N 3.22Å; W145-P163 HydrophobicContact CE3-CB 4.02Å; W145-P163 HydrophobicContact CZ3-CB 4.21Å; W145-L167 HydrophobicContact CB-CD1 3.25Å; W145-L167 HydrophobicContact CD2-CD1 4.17Å; W145-L167 HydrophobicContact CG-CD1 3.29Å |
| 146 | L | 80.6 | Confident | 77.2 | Confident | 74 Ų | 74 | 83.3 Ų | 83.3 | 39% | 0.387 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 173.3 | -177.2 | 69.8 | 0 | 0 | 0 | 111.7 | N142 V143 C150 V164 | N142-L146 WeakPolarHBondContact O-CB 3.32Å; N142-L146 PolarHBondContact O-N 3.49Å; V143-L146 PolarHBondContact O-N 3.41Å; L146-C150 VanDerWaalsContact O-CB 3.23Å; L146-C150 WeakPolarHBondContact O-CB 3.46Å; L146-C150 PolarHBondContact O-N 3.3Å; L146-V164 HydrophobicContact CB-CG1 4.37Å; L146-V164 HydrophobicContact CD1-CG1 3.81Å |
| 147 | L | 81.8 | Confident | 75.4 | Confident | 114 Ų | 114 | 84.7 Ų | 84.7 | 60% | 0.597 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -68.3 | -40.3 | 177.4 | -70.4 | 174.9 | 0 | 0 | 0 | 111.6 | V143 K144 W145 C150 L151 | V143-L147 HydrophobicContact CG1-CD1 3.83Å; V143-L147 HydrophobicContact CG1-CG 4.22Å; V143-L147 WeakPolarHBondContact O-CB 3.47Å; V143-L147 VanDerWaalsContact O-CG 3.24Å; V143-L147 WeakPolarHBondContact O-CG 3.34Å; V143-L147 PolarHBondContact O-N 3.35Å; K144-L147 PolarHBondContact O-N 3.07Å; W145-L147 PolarHBondContact O-N 2.84Å; L147-C150 PolarHBondContact O-N 3.49Å; L147-L151 VanDerWaalsContact O-CB 3.29Å; L147-L151 WeakPolarHBondContact O-CB 3.14Å; L147-L151 PolarHBondContact O-N 3.1Å |
| 148 | C | 78.6 | Confident | 73.9 | Confident | 60 Ų | 60 | 79.5 Ų | 79.5 | 41% | 0.405 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.2 | -52.3 | 173.6 | -171.3 | 0 | 0 | 0 | 0 | 110.8 | K144 W145 C150 L151 C152 | K144-C148 WeakPolarHBondContact O-CB 3.34Å; K144-C148 PolarHBondContact O-N 3.01Å; W145-C148 PolarHBondContact O-N 3.3Å; C148-C150 VanDerWaalsContact C-N 3.33Å; C148-C150 PolarHBondContact O-N 3.03Å; C148-L151 PolarHBondContact O-N 3.01Å; C148-C152 WeakPolarHBondContact O-CB 3.4Å; C148-C152 PolarHBondContact O-N 3.17Å; C148-C152 PolarHBondContact O-SG 3.32Å |
| 149 | G | 76.4 | Confident | 72.4 | Confident | 7 Ų | 7 | 83.2 Ų | 83.2 | 7% | 0.072 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -60.2 | -39.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | W145 C153 | W145-G149 PolarHBondContact O-N 3.22Å; G149-C153 VanDerWaalsContact O-CB 3.26Å; G149-C153 WeakPolarHBondContact O-CB 3.43Å; G149-C153 PolarHBondContact O-N 2.97Å |
| 150 | C | 75.8 | Confident | 71 | Confident | 77 Ų | 77 | 84.1 Ų | 84.1 | 52% | 0.52 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.7 | -39.1 | 176.3 | -171.7 | 0 | 0 | 0 | 0 | 112.5 | L146 L147 C148 C154 | L146-C150 VanDerWaalsContact O-CB 3.23Å; L146-C150 WeakPolarHBondContact O-CB 3.46Å; L146-C150 PolarHBondContact O-N 3.3Å; L147-C150 PolarHBondContact O-N 3.49Å; C148-C150 VanDerWaalsContact C-N 3.33Å; C148-C150 PolarHBondContact O-N 3.03Å; C150-C154 PolarHBondContact O-SG 3.23Å |
| 151 | L | 75.1 | Confident | 69.7 | Low | 130 Ų | 130 | 84.7 Ų | 84.7 | 68% | 0.681 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -69.3 | -38.1 | 177 | -173.8 | 62.6 | 0 | 0 | 0 | 111.6 | L147 C148 | L147-L151 VanDerWaalsContact O-CB 3.29Å; L147-L151 WeakPolarHBondContact O-CB 3.14Å; L147-L151 PolarHBondContact O-N 3.1Å; C148-L151 PolarHBondContact O-N 3.01Å |
| 152 | C | 65.1 | Low | 68.7 | Low | 51 Ų | 51 | 89.9 Ų | 89.9 | 35% | 0.345 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -79.6 | -31.3 | 179.8 | -65.2 | 0 | 0 | 0 | 0 | 113.2 | C148 C154 C155 T156 | C148-C152 WeakPolarHBondContact O-CB 3.4Å; C148-C152 PolarHBondContact O-N 3.17Å; C148-C152 PolarHBondContact O-SG 3.32Å; C152-C154 PolarHBondContact O-N 2.93Å; C152-C155 WeakPolarHBondContact O-CA 3.49Å; C152-C155 WeakPolarHBondContact O-CB 3.46Å; C152-C155 PolarHBondContact O-N 3.21Å; C152-T156 PolarHBondContact O-N 3.21Å; C152-T156 PolarHBondContact O-OG1 2.9Å; C152-T156 VanDerWaalsContact O-OG1 3.1Å |
| 153 | C | 59.7 | Low | 67.8 | Low | 61 Ų | 61 | 91.3 Ų | 91.3 | 41% | 0.412 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.7 | -21.5 | 178.1 | 96.7 | 0 | 0 | 0 | 0 | 112.7 | G149 C155 | G149-C153 VanDerWaalsContact O-CB 3.26Å; G149-C153 WeakPolarHBondContact O-CB 3.43Å; G149-C153 PolarHBondContact O-N 2.97Å; C153-C155 PolarHBondContact O-N 3.19Å |
| 154 | C | 60.5 | Low | 67 | Low | 105 Ų | 105 | 89 Ų | 89 | 71% | 0.709 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -16.7 | 170.3 | -57.5 | 0 | 0 | 0 | 0 | 113.2 | C150 C152 | C150-C154 PolarHBondContact O-SG 3.23Å; C152-C154 PolarHBondContact O-N 2.93Å |
| 155 | C | 56.1 | Low | 66.3 | Low | 105 Ų | 105 | 85.1 Ų | 85.1 | 71% | 0.709 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.8 | -20.3 | -167.5 | -60.5 | 0 | 0 | 0 | 0 | 114.1 | C152 C153 | C152-C155 WeakPolarHBondContact O-CA 3.49Å; C152-C155 WeakPolarHBondContact O-CB 3.46Å; C152-C155 PolarHBondContact O-N 3.21Å; C153-C155 PolarHBondContact O-N 3.19Å |
| 156 | T | 51.5 | Low | 65.5 | Low | 81 Ų | 81 | 81.8 Ų | 81.8 | 50% | 0.497 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -133 | 53.8 | -173.6 | 39.3 | 0 | 0 | 0 | 0 | 114.1 | C152 G158 C159 | C152-T156 PolarHBondContact O-N 3.21Å; C152-T156 PolarHBondContact O-OG1 2.9Å; C152-T156 VanDerWaalsContact O-OG1 3.1Å; T156-G158 PolarHBondContact O-N 3.14Å; T156-C159 PolarHBondContact O-N 3.47Å |
| 157 | L | 54.3 | Low | 65 | Low | 188 Ų | 188 | 79.6 Ų | 79.6 | 98% | 0.984 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.1 | 27 | 163.4 | -79.8 | 166.2 | 0 | 0 | 0 | 117.2 | ||
| 158 | G | 58.3 | Low | 64.8 | Low | 59 Ų | 59 | 74.7 Ų | 74.7 | 61% | 0.608 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.2 | 8.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 118 | T156 | T156-G158 PolarHBondContact O-N 3.14Š|
| 159 | C | 56.5 | Low | 65.1 | Low | 96 Ų | 96 | 74 Ų | 74 | 65% | 0.649 | 44% | 0.439 | S | S | * | . | trans | -88.3 | 141.5 | 172.3 | -60.7 | 0 | 0 | 0 | 0 | 111.1 | T156 | T156-C159 PolarHBondContact O-N 3.47Š| ||
| 160 | S | 55.7 | Low | 65.6 | Low | 56 Ų | 56 | 81 Ų | 81 | 39% | 0.392 | 46% | 0.464 | S | S | . | . | trans | 103.8 | 28.5 | 170 | 79 | 0 | 0 | 0 | 0 | 120.2 | W162 P163 | S160-W162 PolarHBondContact O-N 3.46Å; S160-P163 WeakPolarHBondContact O-CD 3.18Å | ||
| 161 | L | 58.1 | Low | 66.3 | Low | 97 Ų | 97 | 77.9 Ų | 77.9 | 51% | 0.508 | 44% | 0.442 | S | S | . | . | trans | -72 | -10.2 | 159.3 | -70 | 178.1 | 0 | 0 | 0 | 112.9 | V164 I165 | L161-V164 WeakPolarHBondContact O-CB 3.23Å; L161-V164 PolarHBondContact O-N 3.37Å; L161-I165 WeakPolarHBondContact O-CG1 3.24Å; L161-I165 PolarHBondContact O-N 2.86Å; L161-I165 VanDerWaalsContact O-N 3.09Å | ||
| 162 | W | 65.1 | Low | 67.2 | Low | 177 Ų | 177 | 75.1 Ų | 75.1 | 67% | 0.67 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -54.8 | -52 | 179.9 | -169.5 | -97.3 | 0 | 0 | 0 | 113.5 | S160 V164 I165 C166 | S160-W162 PolarHBondContact O-N 3.46Å; W162-V164 PolarHBondContact O-N 3.29Å; W162-I165 WeakPolarHBondContact O-CA 3.36Å; W162-I165 WeakPolarHBondContact O-CB 3.43Å; W162-I165 PolarHBondContact O-N 3.43Å; W162-C166 VanDerWaalsContact CD1-SG 3.6Å; W162-C166 PolarHBondContact NE1-SG 3.31Å; W162-C166 PolarHBondContact O-N 3.1Å; W162-C166 PolarHBondContact O-SG 3.41Å |
| 163 | P | 63.5 | Low | 68.5 | Low | 48 Ų | 48 | 74.9 Ų | 74.9 | 31% | 0.312 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -50.6 | -36.1 | 171.7 | -29.1 | 30.3 | 0 | 0 | 0 | 114.8 | W145 S160 L167 | W145-P163 HydrophobicContact CE3-CB 4.02Å; W145-P163 HydrophobicContact CZ3-CB 4.21Å; S160-P163 WeakPolarHBondContact O-CD 3.18Å; P163-L167 WeakPolarHBondContact O-CD1 3.47Å; P163-L167 VanDerWaalsContact O-CG 3.23Å; P163-L167 WeakPolarHBondContact O-CG 3.46Å; P163-L167 PolarHBondContact O-N 3.04Å |
| 164 | V | 66.7 | Low | 70.1 | Confident | 5 Ų | 5 | 74.8 Ų | 74.8 | 3% | 0.03 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -75.8 | -32.3 | -179.5 | -163 | 0 | 0 | 0 | 0 | 111.1 | F101 L146 L161 W162 | F101-V164 HydrophobicContact CE2-CB 4.05Å; F101-V164 HydrophobicContact CE2-CG1 3.7Å; F101-V164 WeakPolarHBondContact CE2-O 3.37Å; F101-V164 HydrophobicContact CZ-CB 4.38Å; F101-V164 HydrophobicContact CZ-CG1 4.28Å; L146-V164 HydrophobicContact CB-CG1 4.37Å; L146-V164 HydrophobicContact CD1-CG1 3.81Å; L161-V164 WeakPolarHBondContact O-CB 3.23Å; L161-V164 PolarHBondContact O-N 3.37Å; W162-V164 PolarHBondContact O-N 3.29Å |
| 165 | I | 70 | Confident | 71.8 | Confident | 79 Ų | 79 | 69.8 Ų | 69.8 | 41% | 0.405 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -70.6 | -47 | 175.8 | -64.5 | 166.7 | 0 | 0 | 0 | 110 | F101 L161 W162 L167 N168 K169 | F101-I165 HydrophobicContact CE1-CG1 4.09Å; F101-I165 HydrophobicContact CE2-CG1 3.94Å; F101-I165 HydrophobicContact CZ-CG1 3.63Å; L161-I165 WeakPolarHBondContact O-CG1 3.24Å; L161-I165 PolarHBondContact O-N 2.86Å; L161-I165 VanDerWaalsContact O-N 3.09Å; W162-I165 WeakPolarHBondContact O-CA 3.36Å; W162-I165 WeakPolarHBondContact O-CB 3.43Å; W162-I165 PolarHBondContact O-N 3.43Å; I165-L167 VanDerWaalsContact C-N 3.35Å; I165-L167 PolarHBondContact O-N 2.92Å; I165-N168 WeakPolarHBondContact O-CB 3.42Å; I165-N168 PolarHBondContact O-N 2.86Å; I165-N168 VanDerWaalsContact O-N 3.08Å; I165-K169 PolarHBondContact O-N 3.47Å |
| 166 | C | 66.1 | Low | 73.8 | Confident | 47 Ų | 47 | 68.5 Ų | 68.5 | 32% | 0.318 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.8 | -39.9 | -179 | -58.9 | 0 | 0 | 0 | 0 | 112.4 | W162 N168 K169 R170 | W162-C166 VanDerWaalsContact CD1-SG 3.6Å; W162-C166 PolarHBondContact NE1-SG 3.31Å; W162-C166 PolarHBondContact O-N 3.1Å; W162-C166 PolarHBondContact O-SG 3.41Å; C166-N168 PolarHBondContact O-N 3.13Å; C166-K169 CarbonylContact O-C 3.44Å; C166-K169 WeakPolarHBondContact O-CA 3.29Å; C166-K169 WeakPolarHBondContact O-CB 3.44Å; C166-K169 PolarHBondContact O-N 3.46Å; C166-R170 PolarHBondContact O-N 3.34Å |
| 167 | L | 70.1 | Confident | 75.9 | Confident | 28 Ų | 28 | 71.5 Ų | 71.5 | 15% | 0.147 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.9 | -34.3 | 175.6 | -72.3 | 166.6 | 0 | 0 | 0 | 113.5 | V141 W145 P163 I165 T171 | V141-L167 HydrophobicContact CG1-CD2 3.82Å; W145-L167 HydrophobicContact CB-CD1 3.25Å; W145-L167 HydrophobicContact CD2-CD1 4.17Å; W145-L167 HydrophobicContact CG-CD1 3.29Å; P163-L167 WeakPolarHBondContact O-CD1 3.47Å; P163-L167 VanDerWaalsContact O-CG 3.23Å; P163-L167 WeakPolarHBondContact O-CG 3.46Å; P163-L167 PolarHBondContact O-N 3.04Å; I165-L167 VanDerWaalsContact C-N 3.35Å; I165-L167 PolarHBondContact O-N 2.92Å; L167-T171 WeakPolarHBondContact O-CB 3.39Å; L167-T171 PolarHBondContact O-N 3.31Å; L167-T171 PolarHBondContact O-OG1 2.89Å |
| 168 | N | 77.9 | Confident | 78 | Confident | 12 Ų | 12 | 64.3 Ų | 64.3 | 6% | 0.064 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -73.8 | -35.9 | 175 | -158 | 31.2 | 0 | 0 | 0 | 111.2 | V100 F101 L103 I165 C166 T171 R172 | V100-N168 PolarHBondContact O-ND2 3.29Å; F101-N168 WeakPolarHBondContact CB-ND2 3.38Å; F101-N168 HydrophobicContact CD2-CB 4.32Å; L103-N168 WeakPolarHBondContact CB-OD1 3.46Å; L103-N168 WeakPolarHBondContact CD2-OD1 3.35Å; I165-N168 WeakPolarHBondContact O-CB 3.42Å; I165-N168 PolarHBondContact O-N 2.86Å; I165-N168 VanDerWaalsContact O-N 3.08Å; C166-N168 PolarHBondContact O-N 3.13Å; N168-T171 PolarHBondContact O-N 3.31Å; N168-R172 VanDerWaalsContact O-CB 3.23Å; N168-R172 WeakPolarHBondContact O-CB 3.26Å; N168-R172 PolarHBondContact O-N 3.03Å |
| 169 | K | 84.1 | Confident | 79.9 | Confident | 45 Ų | 45 | 61.7 Ų | 61.7 | 20% | 0.196 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.1 | -48.7 | 172 | -162.1 | 173.6 | 179.3 | 178.7 | 0 | 110.3 | E57 I165 C166 T171 R172 R173 | E57-K169 WeakPolarHBondContact OE1-CD 3.48Å; E57-K169 WeakPolarHBondContact OE1-CE 3.42Å; E57-K169 IonicContact OE1-NZ 2.73Å; E57-K169 PolarHBondContact OE1-NZ 2.88Å; E57-K169 IonicContact OE2-NZ 3.69Å; E57-K169 PolarHBondContact OE2-NZ 3.28Å; I165-K169 PolarHBondContact O-N 3.47Å; C166-K169 CarbonylContact O-C 3.44Å; C166-K169 WeakPolarHBondContact O-CA 3.29Å; C166-K169 WeakPolarHBondContact O-CB 3.44Å; C166-K169 PolarHBondContact O-N 3.46Å; K169-T171 PolarHBondContact O-N 2.95Å; K169-R172 WeakPolarHBondContact O-CB 3.43Å; K169-R172 PolarHBondContact O-N 3.41Å; K169-R172 VanDerWaalsContact O-N 3.14Å; K169-R173 WeakPolarHBondContact O-CG 3.46Å; K169-R173 PolarHBondContact O-N 3.13Å |
| 170 | R | 88 | Confident | 81.9 | Confident | 155 Ų | 155 | 61 Ų | 61 | 59% | 0.585 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -57.2 | -47.2 | 175 | -172.9 | 172.3 | -174.1 | 150.5 | 4.7 | 113 | C166 R172 R173 S174 | C166-R170 PolarHBondContact O-N 3.34Å; R170-R172 VanDerWaalsContact C-N 3.33Å; R170-R172 PolarHBondContact O-N 3.38Å; R170-R173 PolarHBondContact O-N 3.08Å; R170-S174 PolarHBondContact O-N 2.98Å |
| 171 | T | 90.6 | Very high | 83.9 | Confident | 10 Ų | 10 | 64.6 Ų | 64.6 | 6% | 0.061 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63 | -41.5 | 177.4 | -55.4 | 0 | 0 | 0 | 0 | 111.1 | L103 L135 A138 L167 N168 K169 S174 I175 | L103-T171 HydrophobicContact CD2-CG2 3.91Å; L135-T171 HydrophobicContact CD2-CG2 4.1Å; A138-T171 HydrophobicContact CB-CG2 3.85Å; A138-T171 WeakPolarHBondContact CB-OG1 3.41Å; L167-T171 WeakPolarHBondContact O-CB 3.39Å; L167-T171 PolarHBondContact O-N 3.31Å; L167-T171 PolarHBondContact O-OG1 2.89Å; N168-T171 PolarHBondContact O-N 3.31Å; K169-T171 PolarHBondContact O-N 2.95Å; T171-S174 PolarHBondContact O-N 3.37Å; T171-I175 HydrophobicContact CG2-CD1 3.99Å; T171-I175 VanDerWaalsContact O-CG1 3.32Å; T171-I175 WeakPolarHBondContact O-CG1 3.46Å; T171-I175 PolarHBondContact O-N 3.2Å |
| 172 | R | 92.7 | Very high | 85.8 | Confident | 73 Ų | 73 | 60 Ų | 60 | 28% | 0.275 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.8 | -51.2 | 177 | -172.6 | -171.6 | 70.7 | -178.6 | 3.1 | 111.5 | N168 K169 R170 S174 I175 Q176 L196 Y209 | N168-R172 VanDerWaalsContact O-CB 3.23Å; N168-R172 WeakPolarHBondContact O-CB 3.26Å; N168-R172 PolarHBondContact O-N 3.03Å; K169-R172 WeakPolarHBondContact O-CB 3.43Å; K169-R172 PolarHBondContact O-N 3.41Å; K169-R172 VanDerWaalsContact O-N 3.14Å; R170-R172 VanDerWaalsContact C-N 3.33Å; R170-R172 PolarHBondContact O-N 3.38Å; R172-S174 VanDerWaalsContact C-N 3.28Å; R172-S174 PolarHBondContact O-N 3.05Å; R172-I175 PolarHBondContact O-N 3.05Å; R172-I175 VanDerWaalsContact O-N 3.1Å; R172-Q176 WeakPolarHBondContact O-CG 3.48Å; R172-Q176 PolarHBondContact O-N 3.21Å; R172-Q176 PolarHBondContact O-OE1 3.05Å; R172-L196 HydrophobicContact CG-CD2 3.75Å; R172-Y209 HydrophobicContact CG-CE1 4.37Å; R172-Y209 PolarHBondContact NH1-OH 2.93Å |
| 173 | R | 92.5 | Very high | 87.3 | Confident | 46 Ų | 46 | 51.6 Ų | 51.6 | 17% | 0.174 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.1 | -45.1 | 176.6 | -67.5 | -168.9 | -135.3 | 139.8 | 13 | 110.6 | E53 E57 K169 R170 I175 Q176 K177 | E53-R173 IonicContact OE2-CZ 3.74Å; E53-R173 IonicContact OE2-NH1 2.93Å; E53-R173 PolarHBondContact OE2-NH1 3.47Å; E53-R173 IonicContact OE2-NH2 3.25Å; E53-R173 PolarHBondContact OE2-NH2 3.07Å; E57-R173 IonicContact OE1-CZ 3.99Å; E57-R173 IonicContact OE1-NE 3.42Å; E57-R173 IonicContact OE1-NH2 3.68Å; E57-R173 PolarHBondContact OE1-NH2 3.13Å; K169-R173 WeakPolarHBondContact O-CG 3.46Å; K169-R173 PolarHBondContact O-N 3.13Å; R170-R173 PolarHBondContact O-N 3.08Å; R173-I175 PolarHBondContact O-N 3.01Å; R173-Q176 PolarHBondContact O-N 3.18Å; R173-K177 WeakPolarHBondContact O-CG 3.45Å; R173-K177 PolarHBondContact O-N 3.33Å |
| 174 | S | 94.5 | Very high | 88.9 | Confident | 58 Ų | 58 | 53.6 Ų | 53.6 | 41% | 0.406 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.6 | -41.7 | 177.2 | -173.6 | 0 | 0 | 0 | 0 | 113.3 | C134 R170 T171 R172 L178 | C134-S174 PolarHBondContact SG-OG 3.19Å; C134-S174 VanDerWaalsContact SG-OG 3.38Å; R170-S174 PolarHBondContact O-N 2.98Å; T171-S174 PolarHBondContact O-N 3.37Å; R172-S174 VanDerWaalsContact C-N 3.28Å; R172-S174 PolarHBondContact O-N 3.05Å; S174-L178 WeakPolarHBondContact O-CB 3.05Å; S174-L178 PolarHBondContact O-N 2.84Å |
| 175 | I | 96.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.4 | -41.2 | 176.4 | -67.2 | 166.1 | 0 | 0 | 0 | 111.1 | L103 V131 C134 L135 T171 R172 R173 L178 I179 L196 | L103-I175 HydrophobicContact CD2-CD1 4.32Å; V131-I175 HydrophobicContact CG1-CG1 4.4Å; V131-I175 HydrophobicContact CG1-CG2 3.91Å; C134-I175 HydrophobicContact CB-CG1 4.5Å; L135-I175 HydrophobicContact CD2-CD1 3.48Å; L135-I175 VanDerWaalsContact CD2-CD1 3.48Å; L135-I175 HydrophobicContact CG-CD1 3.8Å; T171-I175 HydrophobicContact CG2-CD1 3.99Å; T171-I175 VanDerWaalsContact O-CG1 3.32Å; T171-I175 WeakPolarHBondContact O-CG1 3.46Å; T171-I175 PolarHBondContact O-N 3.2Å; R172-I175 PolarHBondContact O-N 3.05Å; R172-I175 VanDerWaalsContact O-N 3.1Å; R173-I175 PolarHBondContact O-N 3.01Å; I175-L178 PolarHBondContact O-N 3.4Å; I175-I179 HydrophobicContact CG2-CD1 3.72Å; I175-I179 HydrophobicContact CG2-CG1 4.28Å; I175-I179 WeakPolarHBondContact O-CB 3.46Å; I175-I179 WeakPolarHBondContact O-CG1 3.29Å; I175-I179 PolarHBondContact O-N 3.03Å; I175-L196 HydrophobicContact CB-CD2 4.27Å; I175-L196 HydrophobicContact CG2-CD2 3.94Å |
| 176 | Q | 96.6 | Very high | 91.6 | Very high | 78 Ų | 78 | 55.7 Ų | 55.7 | 36% | 0.364 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60 | -50.2 | 176.2 | -74.4 | 167.7 | -61.9 | 0 | 0 | 110.9 | R172 R173 L178 I179 E180 L196 | R172-Q176 WeakPolarHBondContact O-CG 3.48Å; R172-Q176 PolarHBondContact O-N 3.21Å; R172-Q176 PolarHBondContact O-OE1 3.05Å; R173-Q176 PolarHBondContact O-N 3.18Å; Q176-L178 VanDerWaalsContact C-N 3.29Å; Q176-L178 PolarHBondContact O-N 2.84Å; Q176-I179 PolarHBondContact O-N 3.09Å; Q176-I179 VanDerWaalsContact O-N 3.13Å; Q176-E180 PolarHBondContact O-N 2.93Å; Q176-L196 HydrophobicContact CG-CB 4.27Å; Q176-L196 HydrophobicContact CG-CD2 4.26Å |
| 177 | K | 97.3 | Very high | 93.1 | Very high | 144 Ų | 144 | 53.5 Ų | 53.5 | 63% | 0.626 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -57.4 | -40.5 | 175.6 | -71.3 | -178.7 | 179.5 | -179.4 | 0 | 112 | R173 W181 | R173-K177 WeakPolarHBondContact O-CG 3.45Å; R173-K177 PolarHBondContact O-N 3.33Å; K177-W181 PolarHBondContact O-N 3.08Å; K177-W181 VanDerWaalsContact O-N 3.07Å |
| 178 | L | 97.7 | Very high | 94.3 | Very high | 37 Ų | 37 | 55.3 Ų | 55.3 | 19% | 0.194 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.3 | -43.5 | 175.9 | 178.2 | 68.1 | 0 | 0 | 0 | 112.6 | R130 V131 S174 I175 Q176 E180 W181 E182 | R130-L178 HydrophobicContact CB-CD1 4.3Å; R130-L178 HydrophobicContact CB-CD2 3.9Å; V131-L178 HydrophobicContact CB-CD2 4.37Å; V131-L178 HydrophobicContact CG2-CD2 3.82Å; S174-L178 WeakPolarHBondContact O-CB 3.05Å; S174-L178 PolarHBondContact O-N 2.84Å; I175-L178 PolarHBondContact O-N 3.4Å; Q176-L178 VanDerWaalsContact C-N 3.29Å; Q176-L178 PolarHBondContact O-N 2.84Å; L178-E180 VanDerWaalsContact C-N 3.33Å; L178-W181 PolarHBondContact O-N 3.38Å; L178-E182 WeakPolarHBondContact O-CG 3.37Å; L178-E182 PolarHBondContact O-N 2.87Å |
| 179 | I | 98 | Very high | 95 | Very high | 5 Ų | 5 | 62.3 Ų | 62.3 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62 | -44.2 | 177.5 | -77.2 | 171.7 | 0 | 0 | 0 | 110.1 | V131 I175 Q176 W181 E182 N183 W194 L196 I211 | V131-I179 HydrophobicContact CG2-CG1 4.39Å; I175-I179 HydrophobicContact CG2-CD1 3.72Å; I175-I179 HydrophobicContact CG2-CG1 4.28Å; I175-I179 WeakPolarHBondContact O-CB 3.46Å; I175-I179 WeakPolarHBondContact O-CG1 3.29Å; I175-I179 PolarHBondContact O-N 3.03Å; Q176-I179 PolarHBondContact O-N 3.09Å; Q176-I179 VanDerWaalsContact O-N 3.13Å; I179-W181 VanDerWaalsContact C-N 3.3Å; I179-W181 PolarHBondContact O-N 2.67Å; I179-E182 WeakPolarHBondContact O-CB 3.23Å; I179-E182 PolarHBondContact O-N 2.93Å; I179-E182 VanDerWaalsContact O-N 3.14Å; I179-N183 WeakPolarHBondContact O-CB 3.4Å; I179-N183 PolarHBondContact O-N 3.07Å; I179-W194 HydrophobicContact CG2-CB 3.61Å; I179-W194 WeakPolarHBondContact CG2-O 3.11Å; I179-L196 HydrophobicContact CD1-CB 3.95Å; I179-I211 HydrophobicContact CD1-CG1 4.33Å |
| 180 | E | 97.8 | Very high | 95.5 | Very high | 82 Ų | 82 | 62.7 Ų | 62.7 | 38% | 0.383 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.1 | -40.8 | 178.3 | -173.5 | 51 | -140.9 | 0 | 0 | 111.8 | Q176 L178 E182 N183 N184 | Q176-E180 PolarHBondContact O-N 2.93Å; L178-E180 VanDerWaalsContact C-N 3.33Å; E180-E182 PolarHBondContact O-N 3.19Å; E180-N183 WeakPolarHBondContact O-CB 3.47Å; E180-N183 PolarHBondContact O-N 3.37Å; E180-N184 PolarHBondContact O-N 2.91Å; E180-N184 PolarHBondContact O-ND2 2.95Å; E180-N184 PolarHBondContact OE1-ND2 3.06Å |
| 181 | W | 97.7 | Very high | 95.7 | Very high | 130 Ų | 130 | 56 Ų | 56 | 49% | 0.492 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 173.1 | -178.8 | 88.4 | 0 | 0 | 0 | 112.9 | K177 L178 I179 N183 R185 | K177-W181 PolarHBondContact O-N 3.08Å; K177-W181 VanDerWaalsContact O-N 3.07Å; L178-W181 PolarHBondContact O-N 3.38Å; I179-W181 VanDerWaalsContact C-N 3.3Å; I179-W181 PolarHBondContact O-N 2.67Å; W181-N183 VanDerWaalsContact C-N 3.35Å; W181-R185 WeakPolarHBondContact O-CB 3.44Å; W181-R185 PolarHBondContact O-N 3.38Å |
| 182 | E | 97.9 | Very high | 96 | Very high | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.009 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63 | -40.3 | 174.8 | -74.1 | -72.6 | 165.2 | 0 | 0 | 112 | S127 R130 L178 I179 E180 R185 L186 Y187 | S127-E182 WeakPolarHBondContact CB-OE2 3.23Å; S127-E182 VanDerWaalsContact OG-CD 3.31Å; S127-E182 PolarHBondContact OG-OE2 2.93Å; R130-E182 WeakPolarHBondContact CD-OE1 3.36Å; R130-E182 IonicContact CZ-OE1 3.4Å; R130-E182 IonicContact NE-OE1 2.87Å; R130-E182 IonicContact NH1-OE1 2.6Å; R130-E182 PolarHBondContact NH1-OE1 2.92Å; R130-E182 IonicContact NH1-OE2 2.67Å; L178-E182 WeakPolarHBondContact O-CG 3.37Å; L178-E182 PolarHBondContact O-N 2.87Å; I179-E182 WeakPolarHBondContact O-CB 3.23Å; I179-E182 PolarHBondContact O-N 2.93Å; I179-E182 VanDerWaalsContact O-N 3.14Å; E180-E182 PolarHBondContact O-N 3.19Å; E182-R185 PolarHBondContact O-N 3.47Å; E182-L186 PolarHBondContact O-N 3.36Å; E182-Y187 HydrophobicContact CB-CD2 4.16Å; E182-Y187 HydrophobicContact CB-CE2 4.16Å; E182-Y187 PolarHBondContact O-N 2.9Å |
| 183 | N | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.1 | -54.3 | 176.6 | -79.4 | -21.7 | 0 | 0 | 0 | 111.3 | I179 E180 W181 R185 L186 Y187 H188 H193 W194 | I179-N183 WeakPolarHBondContact O-CB 3.4Å; I179-N183 PolarHBondContact O-N 3.07Å; E180-N183 WeakPolarHBondContact O-CB 3.47Å; E180-N183 PolarHBondContact O-N 3.37Å; W181-N183 VanDerWaalsContact C-N 3.35Å; N183-R185 VanDerWaalsContact C-N 3.35Å; N183-R185 PolarHBondContact O-N 2.81Å; N183-L186 PolarHBondContact O-N 3.49Å; N183-Y187 PolarHBondContact O-N 3.29Å; N183-Y187 VanDerWaalsContact O-N 3.13Å; N183-H188 WeakPolarHBondContact O-CB 3.45Å; N183-H188 PolarHBondContact O-N 3.46Å; N183-H193 PolarHBondContact ND2-CD2 2.91Å; N183-H193 VanDerWaalsContact ND2-CD2 3.25Å; N183-H193 PolarHBondContact ND2-NE2 2.9Å; N183-W194 PolarHBondContact ND2-O 2.87Å; N183-W194 WeakPolarHBondContact OD1-CB 3.42Å; N183-W194 PolarHBondContact OD1-N 3.09Å |
| 184 | N | 97.5 | Very high | 96.4 | Very high | 90 Ų | 90 | 51.9 Ų | 51.9 | 48% | 0.481 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.8 | -36.1 | -180 | -71.2 | -36.6 | 0 | 0 | 0 | 112.9 | E180 H188 | E180-N184 PolarHBondContact O-N 2.91Å; E180-N184 PolarHBondContact O-ND2 2.95Å; E180-N184 PolarHBondContact OE1-ND2 3.06Å; N184-H188 PolarHBondContact OD1-CE1 3.02Å; N184-H188 PolarHBondContact OD1-ND1 2.84Å |
| 185 | R | 96.7 | Very high | 96.5 | Very high | 94 Ų | 94 | 54.4 Ų | 54.4 | 36% | 0.355 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.3 | -46.8 | 177.6 | 176.6 | -175.7 | 158.5 | 175.1 | -2.6 | 112.1 | R130 W181 E182 N183 K189 | R130-R185 VanDerWaalsContact NH2-NH1 3.18Å; W181-R185 WeakPolarHBondContact O-CB 3.44Å; W181-R185 PolarHBondContact O-N 3.38Å; E182-R185 PolarHBondContact O-N 3.47Å; N183-R185 VanDerWaalsContact C-N 3.35Å; N183-R185 PolarHBondContact O-N 2.81Å; R185-K189 WeakPolarHBondContact O-CE 3.38Å; R185-K189 PolarHBondContact O-NZ 3.12Å |
| 186 | L | 96.2 | Very high | 96.5 | Very high | 34 Ų | 34 | 55 Ų | 55 | 18% | 0.178 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -135.1 | -58.3 | -166 | 178.6 | 63.5 | 0 | 0 | 0 | 113.8 | E123 E182 N183 H188 K189 L190 | E123-L186 HydrophobicContact CB-CD2 3.84Å; E123-L186 HydrophobicContact CG-CD2 4.18Å; E182-L186 PolarHBondContact O-N 3.36Å; N183-L186 PolarHBondContact O-N 3.49Å; L186-H188 PolarHBondContact O-N 2.83Å; L186-K189 WeakPolarHBondContact O-CB 3.47Å; L186-K189 PolarHBondContact O-N 3Å; L186-K189 VanDerWaalsContact O-N 3.07Å; L186-L190 HydrophobicContact CD1-CD1 3.94Å; L186-L190 HydrophobicContact CD1-CG 4.3Å; L186-L190 HydrophobicContact CG-CD1 3.97Å; L186-L190 PolarHBondContact O-N 3.24Å |
| 187 | Y | 96.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -67.6 | -34.5 | -162.3 | -68.5 | -81.7 | 0 | 0 | 0 | 113.5 | V119 S127 E182 N183 K189 L190 A191 L192 W194 | V119-Y187 HydrophobicContact CB-CE1 4.44Å; V119-Y187 HydrophobicContact CG2-CE1 3.94Å; S127-Y187 WeakPolarHBondContact CB-OH 3.35Å; S127-Y187 WeakPolarHBondContact OG-CE2 3.33Å; S127-Y187 PolarHBondContact OG-OH 3.26Å; E182-Y187 HydrophobicContact CB-CD2 4.16Å; E182-Y187 HydrophobicContact CB-CE2 4.16Å; E182-Y187 PolarHBondContact O-N 2.9Å; N183-Y187 PolarHBondContact O-N 3.29Å; N183-Y187 VanDerWaalsContact O-N 3.13Å; Y187-K189 VanDerWaalsContact C-N 3.26Å; Y187-K189 PolarHBondContact O-N 3.02Å; Y187-L190 CarbonylContact O-C 3.5Å; Y187-L190 WeakPolarHBondContact O-CA 3.42Å; Y187-L190 WeakPolarHBondContact O-CB 3.5Å; Y187-L190 PolarHBondContact O-N 3.31Å; Y187-A191 PolarHBondContact O-N 2.74Å; Y187-A191 VanDerWaalsContact O-N 3.15Å; Y187-L192 CarbonylContact C-O 3.52Å; Y187-L192 WeakPolarHBondContact CB-O 3.5Å; Y187-L192 HydrophobicContact CD1-CB 3.99Å; Y187-L192 HydrophobicContact CD1-CD1 3.95Å; Y187-L192 HydrophobicContact CG-CB 4.48Å; Y187-L192 PolarHBondContact O-N 3.38Å; Y187-W194 AromaticContact CD1-CD1 3.76Å; Y187-W194 AromaticContact CD1-NE1 3.23Å; Y187-W194 HydrophobicContact CD2-CG 4.49Å; Y187-W194 AromaticContact CD2-NE1 3.9Å; Y187-W194 AromaticContact CE1-CE2 3.61Å; Y187-W194 AromaticContact CE1-CZ2 3.74Å; Y187-W194 HydrophobicContact CE1-CZ2 3.74Å; Y187-W194 AromaticContact CE1-NE1 3.13Å; Y187-W194 HydrophobicContact CE2-CD2 4.35Å; Y187-W194 AromaticContact CE2-CE2 3.83Å; Y187-W194 HydrophobicContact CE2-CZ2 4.03Å; Y187-W194 AromaticContact CE2-NE1 3.83Å; Y187-W194 AromaticContact CG-CD1 3.74Å; Y187-W194 AromaticContact CG-NE1 3.63Å; Y187-W194 AromaticContact CZ-CE2 3.47Å; Y187-W194 VanDerWaalsContact CZ-CE2 3.47Å; Y187-W194 AromaticContact CZ-CZ2 3.37Å; Y187-W194 AromaticContact CZ-NE1 3.47Å; Y187-W194 WeakPolarHBondContact OH-CZ2 3.42Å |
| 188 | H | 95.4 | Very high | 96.1 | Very high | 66 Ų | 66 | 51 Ų | 51 | 31% | 0.306 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -60.1 | -36.3 | 173.9 | -71.9 | 169 | 0 | 0 | 0 | 112.4 | N183 N184 L186 L190 A191 L192 H193 | N183-H188 WeakPolarHBondContact O-CB 3.45Å; N183-H188 PolarHBondContact O-N 3.46Å; N184-H188 PolarHBondContact OD1-CE1 3.02Å; N184-H188 PolarHBondContact OD1-ND1 2.84Å; L186-H188 PolarHBondContact O-N 2.83Å; H188-L190 PolarHBondContact O-N 3.25Å; H188-A191 PolarHBondContact O-N 3.02Å; H188-L192 PolarHBondContact N-O 3.02Å; H188-H193 AromaticContact NE2-CD2 3.34Å; H188-H193 PolarHBondContact NE2-CD2 3.44Å; H188-H193 VanDerWaalsContact NE2-CD2 3.34Å |
| 189 | K | 93.8 | Very high | 95.8 | Very high | 159 Ų | 159 | 55.1 Ų | 55.1 | 69% | 0.691 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -67.1 | -23.2 | 175.3 | -58 | 170.5 | -176.6 | 163.4 | 0 | 112.2 | R185 L186 Y187 | R185-K189 WeakPolarHBondContact O-CE 3.38Å; R185-K189 PolarHBondContact O-NZ 3.12Å; L186-K189 WeakPolarHBondContact O-CB 3.47Å; L186-K189 PolarHBondContact O-N 3Å; L186-K189 VanDerWaalsContact O-N 3.07Å; Y187-K189 VanDerWaalsContact C-N 3.26Å; Y187-K189 PolarHBondContact O-N 3.02Å |
| 190 | L | 94 | Very high | 95.4 | Very high | 53 Ų | 53 | 60.8 Ų | 60.8 | 28% | 0.277 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -92.8 | 0.1 | 176.4 | -56.2 | 179.1 | 0 | 0 | 0 | 112.9 | V119 L186 Y187 H188 L192 | V119-L190 HydrophobicContact CB-CD1 3.82Å; V119-L190 HydrophobicContact CG2-CD1 3.87Å; L186-L190 HydrophobicContact CD1-CD1 3.94Å; L186-L190 HydrophobicContact CD1-CG 4.3Å; L186-L190 HydrophobicContact CG-CD1 3.97Å; L186-L190 PolarHBondContact O-N 3.24Å; Y187-L190 CarbonylContact O-C 3.5Å; Y187-L190 WeakPolarHBondContact O-CA 3.42Å; Y187-L190 WeakPolarHBondContact O-CB 3.5Å; Y187-L190 PolarHBondContact O-N 3.31Å; H188-L190 PolarHBondContact O-N 3.25Å; L190-L192 VanDerWaalsContact C-N 3.29Å; L190-L192 HydrophobicContact CB-CD1 4.18Å; L190-L192 HydrophobicContact CB-CG 4.28Å |
| 191 | A | 93.5 | Very high | 94.8 | Very high | 15 Ų | 15 | 57.8 Ų | 57.8 | 12% | 0.124 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 42.3 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y187 H188 L216 K218 | Y187-A191 PolarHBondContact O-N 2.74Å; Y187-A191 VanDerWaalsContact O-N 3.15Å; H188-A191 PolarHBondContact O-N 3.02Å; A191-L216 HydrophobicContact CB-CB 4.15Å; A191-L216 PolarHBondContact O-N 3.36Å; A191-K218 HydrophobicContact CB-CD 4.33Å; A191-K218 HydrophobicContact CB-CG 4.1Å |
| 192 | L | 95.1 | Very high | 94 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 148.3 | 172.1 | -64 | 173.3 | 0 | 0 | 0 | 108.5 | L115 K118 V119 Y187 H188 L190 I213 E214 F215 | L115-L192 HydrophobicContact CD2-CD1 4.33Å; L115-L192 HydrophobicContact CD2-CD2 4.24Å; K118-L192 HydrophobicContact CB-CD1 4.35Å; V119-L192 HydrophobicContact CB-CD1 4.33Å; V119-L192 HydrophobicContact CG1-CD1 4.33Å; Y187-L192 CarbonylContact C-O 3.52Å; Y187-L192 WeakPolarHBondContact CB-O 3.5Å; Y187-L192 HydrophobicContact CD1-CB 3.99Å; Y187-L192 HydrophobicContact CD1-CD1 3.95Å; Y187-L192 HydrophobicContact CG-CB 4.48Å; Y187-L192 PolarHBondContact O-N 3.38Å; H188-L192 PolarHBondContact N-O 3.02Å; L190-L192 VanDerWaalsContact C-N 3.29Å; L190-L192 HydrophobicContact CB-CD1 4.18Å; L190-L192 HydrophobicContact CB-CG 4.28Å; L192-I213 HydrophobicContact CB-CG2 4.33Å; L192-I213 HydrophobicContact CD2-CG2 4.19Å; L192-E214 CarbonylContact C-O 3.49Å; L192-E214 VanDerWaalsContact CA-O 3.3Å; L192-E214 WeakPolarHBondContact CA-O 3.47Å; L192-F215 HydrophobicContact CD2-CD1 3.55Å; L192-F215 HydrophobicContact CD2-CE1 3.6Å; L192-F215 HydrophobicContact CD2-CG 4.31Å; L192-F215 HydrophobicContact CD2-CZ 4.38Å |
| 193 | H | 96 | Very high | 93.1 | Very high | 40 Ų | 40 | 64.9 Ų | 64.9 | 19% | 0.185 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 120.3 | 176.4 | 175.6 | -112.5 | 0 | 0 | 0 | 109.3 | N183 H188 I213 E214 L216 | N183-H193 PolarHBondContact ND2-CD2 2.91Å; N183-H193 VanDerWaalsContact ND2-CD2 3.25Å; N183-H193 PolarHBondContact ND2-NE2 2.9Å; H188-H193 AromaticContact NE2-CD2 3.34Å; H188-H193 PolarHBondContact NE2-CD2 3.44Å; H188-H193 VanDerWaalsContact NE2-CD2 3.34Å; H193-I213 CarbonylContact O-C 3.56Å; H193-I213 WeakPolarHBondContact O-CA 3.41Å; H193-E214 HydrophobicContact CB-CB 4.43Å; H193-E214 PolarHBondContact N-O 3.04Å; H193-E214 IonicContact ND1-OE2 2.62Å; H193-E214 PolarHBondContact ND1-OE2 3.36Å; H193-E214 PolarHBondContact O-N 3.01Å; H193-L216 HydrophobicContact CB-CD1 4.32Å; H193-L216 HydrophobicContact CB-CD2 3.92Å; H193-L216 HydrophobicContact CB-CG 4.05Å |
| 194 | W | 97.7 | Very high | 92.1 | Very high | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.008 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 137.3 | 175.5 | -74.4 | 40.1 | 0 | 0 | 0 | 109.4 | F124 I128 I179 N183 Y187 I211 L212 I213 | F124-W194 AromaticContact CD2-CH2 3.77Å; F124-W194 HydrophobicContact CD2-CH2 3.77Å; F124-W194 AromaticContact CD2-CZ2 3.51Å; F124-W194 HydrophobicContact CD2-CZ2 3.51Å; F124-W194 AromaticContact CE2-CH2 3.64Å; F124-W194 HydrophobicContact CE2-CH2 3.64Å; F124-W194 AromaticContact CE2-CZ2 3.63Å; F124-W194 HydrophobicContact CE2-CZ2 3.63Å; F124-W194 HydrophobicContact CZ-CH2 4.46Å; I128-W194 HydrophobicContact CB-CH2 4.34Å; I128-W194 HydrophobicContact CD1-CH2 4.47Å; I128-W194 HydrophobicContact CD1-CZ3 4.05Å; I179-W194 HydrophobicContact CG2-CB 3.61Å; I179-W194 WeakPolarHBondContact CG2-O 3.11Å; N183-W194 PolarHBondContact ND2-O 2.87Å; N183-W194 WeakPolarHBondContact OD1-CB 3.42Å; N183-W194 PolarHBondContact OD1-N 3.09Å; Y187-W194 AromaticContact CD1-CD1 3.76Å; Y187-W194 AromaticContact CD1-NE1 3.23Å; Y187-W194 HydrophobicContact CD2-CG 4.49Å; Y187-W194 AromaticContact CD2-NE1 3.9Å; Y187-W194 AromaticContact CE1-CE2 3.61Å; Y187-W194 AromaticContact CE1-CZ2 3.74Å; Y187-W194 HydrophobicContact CE1-CZ2 3.74Å; Y187-W194 AromaticContact CE1-NE1 3.13Å; Y187-W194 HydrophobicContact CE2-CD2 4.35Å; Y187-W194 AromaticContact CE2-CE2 3.83Å; Y187-W194 HydrophobicContact CE2-CZ2 4.03Å; Y187-W194 AromaticContact CE2-NE1 3.83Å; Y187-W194 AromaticContact CG-CD1 3.74Å; Y187-W194 AromaticContact CG-NE1 3.63Å; Y187-W194 AromaticContact CZ-CE2 3.47Å; Y187-W194 VanDerWaalsContact CZ-CE2 3.47Å; Y187-W194 AromaticContact CZ-CZ2 3.37Å; Y187-W194 AromaticContact CZ-NE1 3.47Å; Y187-W194 WeakPolarHBondContact OH-CZ2 3.42Å; W194-I211 HydrophobicContact CD2-CG2 4.14Å; W194-I211 HydrophobicContact CE3-CG2 3.64Å; W194-I211 HydrophobicContact CZ3-CG2 4.2Å; W194-L212 CarbonylContact C-O 3.54Å; W194-L212 VanDerWaalsContact CA-O 3.3Å; W194-L212 WeakPolarHBondContact CA-O 3.47Å; W194-I213 HydrophobicContact CD2-CD1 4.2Å; W194-I213 HydrophobicContact CD2-CG1 4.03Å; W194-I213 HydrophobicContact CG-CG1 4Å; W194-I213 HydrophobicContact CH2-CD1 4.48Å; W194-I213 HydrophobicContact CZ2-CD1 3.72Å; W194-I213 HydrophobicContact CZ2-CG1 4.45Å |
| 195 | K | 96.4 | Very high | 91.3 | Very high | 110 Ų | 110 | 69.2 Ų | 69.2 | 48% | 0.478 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 134.9 | 175 | -177.3 | 169 | -178 | 168.2 | 0 | 110 | I211 L212 | K195-I211 WeakPolarHBondContact O-CA 3.34Å; K195-L212 PolarHBondContact N-O 3.14Å; K195-L212 PolarHBondContact O-N 3.08Å |
| 196 | L | 96.6 | Very high | 90.7 | Very high | 12 Ų | 12 | 71.5 Ų | 71.5 | 6% | 0.063 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 121.7 | 165.6 | -173.6 | 67.5 | 0 | 0 | 0 | 108.1 | F107 R172 I175 Q176 I179 Y209 I211 | F107-L196 HydrophobicContact CZ-CD1 3.93Å; R172-L196 HydrophobicContact CG-CD2 3.75Å; I175-L196 HydrophobicContact CB-CD2 4.27Å; I175-L196 HydrophobicContact CG2-CD2 3.94Å; Q176-L196 HydrophobicContact CG-CB 4.27Å; Q176-L196 HydrophobicContact CG-CD2 4.26Å; I179-L196 HydrophobicContact CD1-CB 3.95Å; L196-Y209 HydrophobicContact CD2-CD1 4.43Å; L196-Y209 HydrophobicContact CG-CD1 4.16Å; L196-I211 HydrophobicContact CD1-CG1 4.09Å |
| 197 | T | 94.1 | Very high | 90.4 | Very high | 29 Ų | 29 | 73.9 Ų | 73.9 | 18% | 0.178 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 147.6 | -176.7 | -175.3 | 0 | 0 | 0 | 0 | 111.2 | R199 Y209 V210 L212 | T197-R199 HydrophobicContact CG2-CG 3.96Å; T197-Y209 WeakPolarHBondContact O-CA 3.43Å; T197-V210 HydrophobicContact CG2-CG2 3.62Å; T197-V210 PolarHBondContact N-O 3.29Å; T197-V210 PolarHBondContact O-N 3.09Å; T197-L212 HydrophobicContact CG2-CB 3.94Å |
| 198 | K | 92.5 | Very high | 90.2 | Very high | 109 Ų | 109 | 75.5 Ų | 75.5 | 47% | 0.474 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 121.4 | 174.6 | -161 | -177.1 | -177.4 | 178.8 | 0 | 108.6 | M207 E208 Y209 | K198-M207 HydrophobicContact CD-CB 4.37Å; K198-M207 HydrophobicContact CD-CE 4.25Å; K198-M207 HydrophobicContact CG-CB 4.12Å; K198-M207 HydrophobicContact CG-CE 3.9Å; K198-E208 CarbonylContact C-O 3.58Å; K198-E208 WeakPolarHBondContact CA-O 3.42Å; K198-Y209 HydrophobicContact CB-CD1 4.13Å; K198-Y209 HydrophobicContact CB-CE1 3.89Å; K198-Y209 HydrophobicContact CG-CD1 4.48Å; K198-Y209 HydrophobicContact CG-CE1 4.21Å; K198-Y209 HydrophobicContact CG-CE2 4.46Å |
| 199 | R | 91.3 | Very high | 90.2 | Very high | 125 Ų | 125 | 73.5 Ų | 73.5 | 47% | 0.472 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 157.3 | -178.6 | -71.4 | -81.1 | -176 | 151.6 | -0.3 | 109.9 | T197 M207 E208 V210 | T197-R199 HydrophobicContact CG2-CG 3.96Å; R199-M207 CarbonylContact O-C 3Å; R199-M207 WeakPolarHBondContact O-CA 3.47Å; R199-E208 PolarHBondContact N-O 3.1Å; R199-E208 PolarHBondContact O-N 2.87Å; R199-E208 VanDerWaalsContact O-O 3.13Å; R199-V210 HydrophobicContact CB-CG2 4.01Å; R199-V210 HydrophobicContact CG-CG2 3.68Å |
| 200 | K | 89.5 | Confident | 90.2 | Very high | 123 Ų | 123 | 66 Ų | 66 | 54% | 0.535 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 130.4 | 170.5 | -169.2 | 175.5 | 179.5 | 179.9 | 0 | 108.9 | N205 M207 | K200-N205 WeakPolarHBondContact CE-OD1 3.35Å; K200-N205 PolarHBondContact NZ-OD1 3.27Å; K200-M207 HydrophobicContact CB-SD 4.02Å; K200-M207 HydrophobicContact CG-SD 4.47Å |
| 201 | C | 84.5 | Confident | 90.4 | Very high | 19 Ų | 19 | 63.4 Ų | 63.4 | 13% | 0.128 | 31% | 0.313 | C | S | . | . | trans | -63.2 | 143.4 | 175.5 | -168.8 | 0 | 0 | 0 | 0 | 109.8 | T203 S204 M206 E208 | C201-T203 PolarHBondContact SG-OG1 3.15Å; C201-T203 VanDerWaalsContact SG-OG1 3.4Å; C201-S204 CarbonylContact C-O 3.58Å; C201-S204 WeakPolarHBondContact CB-OG 3.35Å; C201-M206 VanDerWaalsContact CB-O 3.31Å; C201-M206 WeakPolarHBondContact CB-O 3.44Å; C201-M206 PolarHBondContact N-O 3.39Å; C201-E208 HydrophobicContact CB-CG 4.04Å; C201-E208 PolarHBondContact SG-OE2 3.25Å; C201-E208 VanDerWaalsContact SG-OE2 3.32Å | ||
| 202 | E | 80.6 | Confident | 90.5 | Very high | 148 Ų | 148 | 63 Ų | 63 | 69% | 0.692 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -74.1 | -32.2 | 179.4 | -76.5 | 171 | -173.1 | 0 | 0 | 112.3 | R93 | R93-E202 IonicContact CZ-OE1 3.39Å; R93-E202 IonicContact CZ-OE2 3.63Å; R93-E202 IonicContact NH1-OE1 3.91Å; R93-E202 IonicContact NH1-OE2 3.59Å; R93-E202 PolarHBondContact NH1-OE2 2.6Å; R93-E202 IonicContact NH2-OE1 3.85Å; R93-E202 PolarHBondContact NH2-OE1 3.48Å; R93-E202 IonicContact NH2-OE2 2.88Å; R93-E202 PolarHBondContact NH2-OE2 3.2Å |
| 203 | T | 79.6 | Confident | 90.6 | Very high | 133 Ų | 133 | 63 Ų | 63 | 82% | 0.816 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -95 | -11.3 | -174 | 55.9 | 0 | 0 | 0 | 0 | 113.2 | C201 | C201-T203 PolarHBondContact SG-OG1 3.15Å; C201-T203 VanDerWaalsContact SG-OG1 3.4Å |
| 204 | S | 77.6 | Confident | 90.5 | Very high | 41 Ų | 41 | 64.4 Ų | 64.4 | 29% | 0.287 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -143.2 | 155.9 | 178.8 | 73.3 | 0 | 0 | 0 | 0 | 110.6 | C201 M206 | C201-S204 CarbonylContact C-O 3.58Å; C201-S204 WeakPolarHBondContact CB-OG 3.35Å; S204-M206 PolarHBondContact O-N 3.32Å; S204-M206 VanDerWaalsContact O-N 3.09Å; S204-M206 PolarHBondContact OG-N 3.02Å |
| 205 | N | 78.9 | Confident | 90.3 | Very high | 140 Ų | 140 | 65.6 Ų | 65.6 | 75% | 0.749 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -74 | 7.6 | 173.6 | -74.2 | -52.3 | 0 | 0 | 0 | 113.5 | K200 | K200-N205 WeakPolarHBondContact CE-OD1 3.35Å; K200-N205 PolarHBondContact NZ-OD1 3.27Å |
| 206 | M | 85.3 | Confident | 89.9 | Confident | 142 Ų | 142 | 63.5 Ų | 63.5 | 70% | 0.7 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -80.6 | 152.1 | -179.3 | -56.6 | -175.8 | -169.3 | 0 | 0 | 110.9 | C201 S204 | C201-M206 VanDerWaalsContact CB-O 3.31Å; C201-M206 WeakPolarHBondContact CB-O 3.44Å; C201-M206 PolarHBondContact N-O 3.39Å; S204-M206 PolarHBondContact O-N 3.32Å; S204-M206 VanDerWaalsContact O-N 3.09Å; S204-M206 PolarHBondContact OG-N 3.02Å |
| 207 | M | 89.4 | Confident | 89 | Confident | 84 Ų | 84 | 65.2 Ų | 65.2 | 41% | 0.414 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 138.6 | 170.5 | -62 | -63.2 | -72.1 | 0 | 0 | 109.7 | G102 K198 R199 K200 | G102-M207 WeakPolarHBondContact CA-O 3.48Å; K198-M207 HydrophobicContact CD-CB 4.37Å; K198-M207 HydrophobicContact CD-CE 4.25Å; K198-M207 HydrophobicContact CG-CB 4.12Å; K198-M207 HydrophobicContact CG-CE 3.9Å; R199-M207 CarbonylContact O-C 3Å; R199-M207 WeakPolarHBondContact O-CA 3.47Å; K200-M207 HydrophobicContact CB-SD 4.02Å; K200-M207 HydrophobicContact CG-SD 4.47Å |
| 208 | E | 92.9 | Very high | 87.6 | Confident | 34 Ų | 34 | 71 Ų | 71 | 16% | 0.159 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 145.3 | 176.6 | 59.4 | 175.1 | -161.9 | 0 | 0 | 111 | R93 G102 K198 R199 C201 V210 | R93-E208 IonicContact NE-OE1 3.63Å; R93-E208 PolarHBondContact NE-OE1 3.42Å; G102-E208 CarbonylContact O-C 3.52Å; G102-E208 WeakPolarHBondContact O-CA 3.27Å; K198-E208 CarbonylContact C-O 3.58Å; K198-E208 WeakPolarHBondContact CA-O 3.42Å; R199-E208 PolarHBondContact N-O 3.1Å; R199-E208 PolarHBondContact O-N 2.87Å; R199-E208 VanDerWaalsContact O-O 3.13Å; C201-E208 HydrophobicContact CB-CG 4.04Å; C201-E208 PolarHBondContact SG-OE2 3.25Å; C201-E208 VanDerWaalsContact SG-OE2 3.32Å; E208-V210 HydrophobicContact CG-CG1 3.91Å |
| 209 | Y | 94.4 | Very high | 86 | Confident | 25 Ų | 25 | 74.1 Ų | 74.1 | 10% | 0.098 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 128.5 | 167.6 | -75.3 | -82.9 | 0 | 0 | 0 | 109.4 | G102 L103 F107 R172 L196 T197 K198 | G102-Y209 PolarHBondContact O-N 3.4Å; L103-Y209 HydrophobicContact CB-CD2 4.02Å; L103-Y209 HydrophobicContact CD1-CD2 4.41Å; L103-Y209 HydrophobicContact CD1-CG 4.25Å; F107-Y209 WeakPolarHBondContact CE1-O 3.41Å; R172-Y209 HydrophobicContact CG-CE1 4.37Å; R172-Y209 PolarHBondContact NH1-OH 2.93Å; L196-Y209 HydrophobicContact CD2-CD1 4.43Å; L196-Y209 HydrophobicContact CG-CD1 4.16Å; T197-Y209 WeakPolarHBondContact O-CA 3.43Å; K198-Y209 HydrophobicContact CB-CD1 4.13Å; K198-Y209 HydrophobicContact CB-CE1 3.89Å; K198-Y209 HydrophobicContact CG-CD1 4.48Å; K198-Y209 HydrophobicContact CG-CE1 4.21Å; K198-Y209 HydrophobicContact CG-CE2 4.46Å |
| 210 | V | 95.4 | Very high | 84.5 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 150.4 | -179.1 | -63.8 | 0 | 0 | 0 | 0 | 109.4 | L91 R93 T197 R199 E208 | L91-V210 HydrophobicContact CD1-CB 4.1Å; L91-V210 HydrophobicContact CD1-CG2 3.65Å; L91-V210 HydrophobicContact CG-CB 4.36Å; L91-V210 HydrophobicContact CG-CG2 4.42Å; R93-V210 HydrophobicContact CG-CG1 4.13Å; T197-V210 HydrophobicContact CG2-CG2 3.62Å; T197-V210 PolarHBondContact N-O 3.29Å; T197-V210 PolarHBondContact O-N 3.09Å; R199-V210 HydrophobicContact CB-CG2 4.01Å; R199-V210 HydrophobicContact CG-CG2 3.68Å; E208-V210 HydrophobicContact CG-CG1 3.91Å |
| 211 | I | 97.2 | Very high | 83 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 120.6 | 171.8 | -64.2 | 167.9 | 0 | 0 | 0 | 107.2 | V92 F107 I128 V131 I179 W194 K195 L196 I213 | V92-I211 HydrophobicContact CB-CB 4.15Å; V92-I211 PolarHBondContact N-O 3.44Å; V92-I211 PolarHBondContact O-N 3.49Å; F107-I211 HydrophobicContact CB-CD1 4.46Å; F107-I211 HydrophobicContact CD1-CD1 4.13Å; F107-I211 HydrophobicContact CD1-CG1 4.31Å; F107-I211 HydrophobicContact CD2-CD1 3.68Å; F107-I211 HydrophobicContact CD2-CG1 4.42Å; F107-I211 HydrophobicContact CE1-CD1 4.33Å; F107-I211 HydrophobicContact CE1-CG1 4.12Å; F107-I211 HydrophobicContact CE2-CD1 3.86Å; F107-I211 HydrophobicContact CE2-CG1 4.2Å; F107-I211 HydrophobicContact CG-CD1 3.82Å; F107-I211 HydrophobicContact CG-CG1 4.47Å; F107-I211 HydrophobicContact CZ-CD1 4.2Å; F107-I211 HydrophobicContact CZ-CG1 4.06Å; I128-I211 HydrophobicContact CD1-CD1 3.53Å; V131-I211 HydrophobicContact CG1-CD1 4.16Å; I179-I211 HydrophobicContact CD1-CG1 4.33Å; W194-I211 HydrophobicContact CD2-CG2 4.14Å; W194-I211 HydrophobicContact CE3-CG2 3.64Å; W194-I211 HydrophobicContact CZ3-CG2 4.2Å; K195-I211 WeakPolarHBondContact O-CA 3.34Å; L196-I211 HydrophobicContact CD1-CG1 4.09Å; I211-I213 HydrophobicContact CG2-CG1 4.42Å |
| 212 | L | 96.3 | Very high | 81.5 | Confident | 6 Ų | 6 | 83 Ų | 83 | 3% | 0.031 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 133.2 | 176 | -163.4 | 71.4 | 0 | 0 | 0 | 108.8 | P89 L91 W194 K195 T197 E214 | P89-L212 HydrophobicContact CB-CD1 3.66Å; P89-L212 HydrophobicContact CB-CD2 4.13Å; P89-L212 HydrophobicContact CB-CG 3.75Å; P89-L212 HydrophobicContact CG-CD1 3.84Å; P89-L212 HydrophobicContact CG-CD2 4.28Å; P89-L212 HydrophobicContact CG-CG 4.26Å; L91-L212 HydrophobicContact CD1-CD1 3.7Å; W194-L212 CarbonylContact C-O 3.54Å; W194-L212 VanDerWaalsContact CA-O 3.3Å; W194-L212 WeakPolarHBondContact CA-O 3.47Å; K195-L212 PolarHBondContact N-O 3.14Å; K195-L212 PolarHBondContact O-N 3.08Å; T197-L212 HydrophobicContact CG2-CB 3.94Å; L212-E214 HydrophobicContact CD2-CG 3.87Å; L212-E214 WeakPolarHBondContact CD2-OE1 3.5Å; L212-E214 HydrophobicContact CG-CG 4.12Å |
| 213 | I | 96.6 | Very high | 79.9 | Confident | 0 Ų | 0 | 86.5 Ų | 86.5 | 0% | 0 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 105.4 | 175.4 | -52.9 | 172.5 | 0 | 0 | 0 | 107.6 | P89 V90 V92 L115 F124 L192 H193 W194 I211 | P89-I213 CarbonylContact C-O 3.55Å; P89-I213 WeakPolarHBondContact CA-O 3.2Å; V90-I213 HydrophobicContact CB-CB 4.18Å; V90-I213 PolarHBondContact N-O 2.9Å; V90-I213 PolarHBondContact O-N 3.18Å; V92-I213 HydrophobicContact CG2-CD1 3.98Å; L115-I213 HydrophobicContact CD1-CD1 3.78Å; L115-I213 HydrophobicContact CD2-CG2 4.23Å; F124-I213 HydrophobicContact CE2-CD1 3.93Å; L192-I213 HydrophobicContact CB-CG2 4.33Å; L192-I213 HydrophobicContact CD2-CG2 4.19Å; H193-I213 CarbonylContact O-C 3.56Å; H193-I213 WeakPolarHBondContact O-CA 3.41Å; W194-I213 HydrophobicContact CD2-CD1 4.2Å; W194-I213 HydrophobicContact CD2-CG1 4.03Å; W194-I213 HydrophobicContact CG-CG1 4Å; W194-I213 HydrophobicContact CH2-CD1 4.48Å; W194-I213 HydrophobicContact CZ2-CD1 3.72Å; W194-I213 HydrophobicContact CZ2-CG1 4.45Å; I211-I213 HydrophobicContact CG2-CG1 4.42Å |
| 214 | E | 94.6 | Very high | 79 | Confident | 71 Ų | 71 | 85.8 Ų | 85.8 | 33% | 0.332 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 148.9 | -177.9 | -62.4 | 177.9 | 152.6 | 0 | 0 | 110.8 | P89 L192 H193 L212 | P89-E214 HydrophobicContact CB-CG 4.05Å; L192-E214 CarbonylContact C-O 3.49Å; L192-E214 VanDerWaalsContact CA-O 3.3Å; L192-E214 WeakPolarHBondContact CA-O 3.47Å; H193-E214 HydrophobicContact CB-CB 4.43Å; H193-E214 PolarHBondContact N-O 3.04Å; H193-E214 IonicContact ND1-OE2 2.62Å; H193-E214 PolarHBondContact ND1-OE2 3.36Å; H193-E214 PolarHBondContact O-N 3.01Å; L212-E214 HydrophobicContact CD2-CG 3.87Å; L212-E214 WeakPolarHBondContact CD2-OE1 3.5Å; L212-E214 HydrophobicContact CG-CG 4.12Å |
| 215 | F | 92 | Very high | 77.8 | Confident | 26 Ų | 26 | 95.1 Ų | 95.1 | 11% | 0.114 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 115.9 | 174.6 | -65.6 | -88.4 | 0 | 0 | 0 | 109.2 | P87 D88 V90 V114 L115 L192 | P87-F215 HydrophobicContact CB-CD2 3.71Å; P87-F215 HydrophobicContact CB-CE2 3.94Å; P87-F215 HydrophobicContact CB-CG 4.15Å; P87-F215 HydrophobicContact CG-CB 4.31Å; P87-F215 HydrophobicContact CG-CD1 4.39Å; P87-F215 HydrophobicContact CG-CD2 4.09Å; P87-F215 HydrophobicContact CG-CG 4Å; D88-F215 WeakPolarHBondContact O-CE2 3.32Å; V90-F215 HydrophobicContact CG2-CE2 4.06Å; V90-F215 HydrophobicContact CG2-CZ 4.17Å; V114-F215 HydrophobicContact CG1-CZ 4.14Å; L115-F215 HydrophobicContact CD2-CE1 4.47Å; L115-F215 HydrophobicContact CD2-CZ 4.17Å; L192-F215 HydrophobicContact CD2-CD1 3.55Å; L192-F215 HydrophobicContact CD2-CE1 3.6Å; L192-F215 HydrophobicContact CD2-CG 4.31Å; L192-F215 HydrophobicContact CD2-CZ 4.38Å |
| 216 | L | 88.6 | Confident | 77.7 | Confident | 66 Ų | 66 | 92.9 Ų | 92.9 | 35% | 0.346 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 128.3 | 176.7 | -64.6 | 175.5 | 0 | 0 | 0 | 109.3 | A191 H193 K218 | A191-L216 HydrophobicContact CB-CB 4.15Å; A191-L216 PolarHBondContact O-N 3.36Å; H193-L216 HydrophobicContact CB-CD1 4.32Å; H193-L216 HydrophobicContact CB-CD2 3.92Å; H193-L216 HydrophobicContact CB-CG 4.05Å; L216-K218 PolarHBondContact O-N 3.08Å |
| 217 | P | 77.1 | Confident | 77.3 | Confident | 49 Ų | 49 | 90.3 Ų | 90.3 | 32% | 0.318 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 123.1 | -178.1 | 23.6 | -31.3 | 0 | 0 | 0 | 110.1 | L82 | L82-P217 HydrophobicContact CB-CB 3.93Å; L82-P217 HydrophobicContact CB-CG 4.27Å |
| 218 | K | 65.6 | Low | 76.7 | Confident | 151 Ų | 151 | 90.7 Ų | 90.7 | 66% | 0.657 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -86.3 | 124 | 168.9 | -65.6 | -171.4 | -178.8 | -174.4 | 0 | 108.2 | A191 L216 P220 | A191-K218 HydrophobicContact CB-CD 4.33Å; A191-K218 HydrophobicContact CB-CG 4.1Å; L216-K218 PolarHBondContact O-N 3.08Å; K218-P220 WeakPolarHBondContact O-CD 3.42Å; K218-P220 VanDerWaalsContact O-N 3.15Å |
| 219 | Y | 59.7 | Low | 75.7 | Confident | 174 Ų | 174 | 94 Ų | 94 | 68% | 0.682 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -53.3 | 120.6 | 171.5 | -74.9 | -85.5 | 0 | 0 | 0 | 109.6 | L82 I221 | L82-Y219 HydrophobicContact CD1-CD1 4.14Å; L82-Y219 HydrophobicContact CD1-CE1 3.67Å; Y219-I221 PolarHBondContact O-N 3.06Å; Y219-I221 VanDerWaalsContact O-N 3.09Å |
| 220 | P | 57.8 | Low | 74.5 | Confident | 102 Ų | 102 | 98.3 Ų | 98.3 | 66% | 0.662 | 48% | 0.48 | S | S | * | . | trans | -69.4 | 109.9 | 173.6 | 26.4 | -30.4 | 0 | 0 | 0 | 108.4 | K218 F222 | K218-P220 WeakPolarHBondContact O-CD 3.42Å; K218-P220 VanDerWaalsContact O-N 3.15Å; P220-F222 PolarHBondContact O-N 3.05Å | ||
| 221 | I | 58.5 | Low | 73.1 | Confident | 160 Ų | 160 | 104.9 Ų | 104.9 | 82% | 0.821 | 51% | 0.512 | S | S | * | . | trans | -74.1 | -10.7 | -178.8 | -47.4 | 177.3 | 0 | 0 | 0 | 111.4 | Y219 R223 | Y219-I221 PolarHBondContact O-N 3.06Å; Y219-I221 VanDerWaalsContact O-N 3.09Å; I221-R223 PolarHBondContact O-N 3.09Å | ||
| 222 | F | 52.7 | Low | 71.4 | Confident | 192 Ų | 192 | 112.4 Ų | 112.4 | 84% | 0.842 | 55% | 0.548 | S | S | * | . | trans | -100 | 83.8 | -178.6 | -76.6 | -83.9 | 0 | 0 | 0 | 112.1 | P220 | P220-F222 PolarHBondContact O-N 3.05Š| ||
| 223 | R | 47.6 | Very low | 69.5 | Low | 220 Ų | 220 | 120.5 Ų | 120.5 | 83% | 0.83 | 59% | 0.588 | S | S | * | * | trans | -95.9 | 112.9 | 145.7 | -102.3 | -173.9 | 178.1 | 139.6 | 0.3 | 107.2 | I221 | I221-R223 PolarHBondContact O-N 3.09Š| ||
| 224 | P | 60.2 | Low | 67.2 | Low | 119 Ų | 119 | 130.6 Ų | 130.6 | 77% | 0.773 | 64% | 0.637 | S | S | * | * | trans | -70.2 | 132.4 | 158.9 | 28.6 | -28 | 0 | 0 | 0 | 108.2 | ||||
| 225 | D | 52.6 | Low | 64.8 | Low | 237 Ų | 237 | 136 Ų | 136 | 100% | 1.267 | 67% | 0.665 | S | S | * | * | trans | -58.2 | 0 | 174.5 | -62.9 | -35.7 | 0 | 0 | 0 | 112.8 |
Retrieved 225 of 225 residues in 152.4 ms
(Link to these results)