| 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 | 51.3 | Low | 51.5 | Low | 257 Ų | 257 | 144.8 Ų | 144.8 | 100% | 1.266 | 87% | 0.867 | S | S | * | * | 0 | 97.2 | 0 | -73.8 | 169.6 | 174.2 | 0 | 0 | 107.5 | |||||
| 2 | G | 43.5 | Very low | 51.7 | Low | 86 Ų | 86 | 153.3 Ų | 153.3 | 89% | 0.887 | 87% | 0.872 | S | S | * | * | trans | -98.3 | 155.7 | 176 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 3 | G | 44 | Very low | 51.3 | Low | 73 Ų | 73 | 146.5 Ų | 146.5 | 75% | 0.753 | 86% | 0.858 | S | S | * | * | trans | 173.9 | 68.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 4 | K | 54.5 | Low | 51.2 | Low | 199 Ų | 199 | 143.1 Ų | 143.1 | 87% | 0.865 | 85% | 0.854 | S | S | * | * | trans | -53.9 | 137.3 | 158.8 | 56.9 | -161.5 | 167.8 | -168.6 | 0 | 110.5 | ||||
| 5 | Q | 59.8 | Low | 51.1 | Low | 200 Ų | 200 | 146.8 Ų | 146.8 | 94% | 0.935 | 86% | 0.856 | S | S | * | * | trans | -119.8 | 117.3 | 166.9 | -60.3 | -168.1 | 87.2 | 0 | 0 | 109 | ||||
| 6 | S | 55.2 | Low | 51.6 | Low | 99 Ų | 99 | 145.4 Ų | 145.4 | 69% | 0.692 | 85% | 0.852 | S | S | * | * | trans | -94.8 | 156.5 | 180 | -66.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 7 | T | 51.8 | Low | 51.1 | Low | 141 Ų | 141 | 141.3 Ų | 141.3 | 87% | 0.865 | 85% | 0.848 | S | S | * | * | trans | 63.2 | 120.2 | 135.8 | -159.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 8 | A | 50.8 | Low | 51.1 | Low | 93 Ų | 93 | 140.8 Ų | 140.8 | 77% | 0.769 | 85% | 0.846 | S | S | * | * | 172.7 | 122.8 | 125.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 9 | G | 43.1 | Very low | 50.7 | Low | 76 Ų | 76 | 139.6 Ų | 139.6 | 78% | 0.784 | 85% | 0.845 | S | S | * | * | cis | 91.1 | 83 | 39.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 10 | R | 52.6 | Low | 50.7 | Low | 246 Ų | 246 | 137.9 Ų | 137.9 | 93% | 0.928 | 84% | 0.839 | S | S | * | * | trans | -135.5 | 136.5 | 158.5 | -84.8 | -179.1 | 78.5 | -158.2 | 4.9 | 111.2 | ||||
| 11 | P | 59.9 | Low | 50.4 | Low | 123 Ų | 123 | 138 Ų | 138 | 80% | 0.799 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 154.8 | -162.6 | 33.7 | -35.7 | 0 | 0 | 0 | 113.7 | ||
| 12 | R | 54.3 | Low | 50.1 | Low | 246 Ų | 246 | 133 Ų | 133 | 93% | 0.928 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -60 | 131.8 | 166 | -67.1 | 178.6 | 176.6 | -176.8 | -2.4 | 109.6 | A14 | R12-A14 PolarHBondContact O-N 3.4Š|
| 13 | G | 46.3 | Very low | 50.2 | Low | 66 Ų | 66 | 133.3 Ų | 133.3 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 127 | 170 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 14 | A | 49.6 | Very low | 50.3 | Low | 98 Ų | 98 | 134.6 Ų | 134.6 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 117.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | R12 | R12-A14 PolarHBondContact O-N 3.4Š|
| 15 | F | 49.1 | Very low | 50.4 | Low | 199 Ų | 199 | 131.2 Ų | 131.2 | 87% | 0.873 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 128.7 | 161.7 | -73.2 | -83.1 | 0 | 0 | 0 | 108 | ||
| 16 | P | 59.8 | Low | 50.5 | Low | 124 Ų | 124 | 126.7 Ų | 126.7 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 130 | -178.1 | 29.4 | -31 | 0 | 0 | 0 | 111.5 | ||
| 17 | G | 43.7 | Very low | 50.5 | Low | 76 Ų | 76 | 128.2 Ų | 128.2 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | 70.8 | 101.2 | 119.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 18 | V | 49.7 | Very low | 50.1 | Low | 132 Ų | 132 | 127.1 Ų | 127.1 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | trans | -56.8 | 143 | 156.5 | 54.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 19 | S | 44.8 | Very low | 49.7 | Very low | 119 Ų | 119 | 126.6 Ų | 126.6 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | -140.9 | 116.5 | 140.1 | 77.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 20 | S | 51 | Low | 49.9 | Very low | 105 Ų | 105 | 132.5 Ų | 132.5 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -84.3 | 158.2 | 163.8 | -60.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 21 | D | 43.9 | Very low | 49.3 | Very low | 140 Ų | 140 | 130.1 Ų | 130.1 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | trans | 90.1 | 111 | 164.4 | -136.4 | -84.8 | 0 | 0 | 0 | 117.4 | ||||
| 22 | D | 43.8 | Very low | 48.3 | Very low | 151 Ų | 151 | 127.5 Ų | 127.5 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | -157.3 | 124.5 | 117.9 | -163.8 | -108.3 | 0 | 0 | 0 | 110.5 | |||||
| 23 | S | 46.4 | Very low | 47.8 | Very low | 94 Ų | 94 | 124.4 Ų | 124.4 | 66% | 0.657 | 79% | 0.785 | S | S | * | * | trans | -81.2 | 119.8 | 178 | -65.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 24 | A | 46 | Very low | 47.3 | Very low | 99 Ų | 99 | 131.6 Ų | 131.6 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -113.4 | 106.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 25 | V | 57.3 | Low | 47.2 | Very low | 128 Ų | 128 | 138.6 Ų | 138.6 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 144.8 | 171.4 | 173.9 | 0 | 0 | 0 | 0 | 112.1 | ||
| 26 | P | 61.6 | Low | 47.5 | Very low | 105 Ų | 105 | 133.5 Ų | 133.5 | 68% | 0.682 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 144.5 | 173.3 | 32.7 | -33.9 | 0 | 0 | 0 | 111.6 | S28 | P26-S28 PolarHBondContact O-N 3.39Š|
| 27 | P | 55.2 | Low | 46.5 | Very low | 132 Ų | 132 | 134 Ų | 134 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 120.6 | 168.4 | 29.6 | -30 | 0 | 0 | 0 | 110.2 | ||
| 28 | S | 42.5 | Very low | 46.4 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 148.3 | 164.7 | -84.5 | 0 | 0 | 0 | 0 | 111.7 | P26 | P26-S28 PolarHBondContact O-N 3.39Š|
| 29 | A | 44.2 | Very low | 46.5 | Very low | 83 Ų | 83 | 133.8 Ų | 133.8 | 69% | 0.686 | 79% | 0.791 | S | S | * | * | trans | 85.5 | 110.2 | 158 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 30 | H | 45.6 | Very low | 46.7 | Very low | 199 Ų | 199 | 137.6 Ų | 137.6 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | -143.1 | 130.5 | 114.8 | -104.4 | -74.2 | 0 | 0 | 0 | 112.2 | |||||
| 31 | F | 39.8 | Very low | 46.5 | Very low | 196 Ų | 196 | 136 Ų | 136 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -56.2 | 138.9 | 178.6 | -108.5 | -117.9 | 0 | 0 | 0 | 113.5 | ||||
| 32 | G | 39.2 | Very low | 46.7 | Very low | 69 Ų | 69 | 137.5 Ų | 137.5 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | trans | -149 | 82 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 33 | H | 44.8 | Very low | 46.9 | Very low | 180 Ų | 180 | 141.9 Ų | 141.9 | 83% | 0.833 | 81% | 0.811 | S | S | * | * | trans | 37.7 | 113.7 | 151.4 | -57.6 | -69 | 0 | 0 | 0 | 121.8 | ||||
| 34 | Y | 35.3 | Very low | 47.1 | Very low | 218 Ų | 218 | 142.1 Ų | 142.1 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | trans | -59.1 | 135.1 | 157.8 | -133.1 | -104.5 | 0 | 0 | 0 | 112 | P36 | Y34-P36 HydrophobicContact CD1-CG 4.11Å; Y34-P36 HydrophobicContact CE1-CB 4.34Å; Y34-P36 HydrophobicContact CE1-CG 4.21Å | ||
| 35 | R | 47.5 | Very low | 47.5 | Very low | 245 Ų | 245 | 149.2 Ų | 149.2 | 93% | 0.925 | 82% | 0.818 | S | S | * | * | trans | -142.3 | 119.4 | 150.4 | -142.8 | -172.4 | -173 | -153.9 | 1.8 | 109.2 | ||||
| 36 | P | 55.6 | Low | 47.1 | Very low | 92 Ų | 92 | 148.2 Ų | 148.2 | 60% | 0.597 | 82% | 0.817 | S | S | * | * | trans | -103.8 | 130.1 | 176.9 | 34.5 | -24.1 | 0 | 0 | 0 | 110.9 | Y34 | Y34-P36 HydrophobicContact CD1-CG 4.11Å; Y34-P36 HydrophobicContact CE1-CB 4.34Å; Y34-P36 HydrophobicContact CE1-CG 4.21Å | ||
| 37 | S | 38.9 | Very low | 46.4 | Very low | 133 Ų | 133 | 149.4 Ų | 149.4 | 93% | 0.93 | 82% | 0.822 | S | S | * | * | trans | 178.3 | 123.4 | 150.1 | -88.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 38 | G | 40.5 | Very low | 45.9 | Very low | 73 Ų | 73 | 149.3 Ų | 149.3 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | trans | 155.7 | 67.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 39 | T | 52.6 | Low | 46.1 | Very low | 131 Ų | 131 | 149 Ų | 149 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | trans | -6.2 | 133.4 | 156.3 | 54.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 40 | M | 49.4 | Very low | 46.4 | Very low | 199 Ų | 199 | 151.8 Ų | 151.8 | 98% | 0.98 | 83% | 0.83 | S | S | * | * | trans | 58.6 | 127 | 144 | -70.3 | -170 | -166.1 | 0 | 0 | 121.3 | ||||
| 41 | G | 46 | Very low | 46.2 | Very low | 73 Ų | 73 | 146.7 Ų | 146.7 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | trans | 168.9 | 54.6 | 158.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | R43 | G41-R43 PolarHBondContact O-N 3.17Å; G41-R43 VanDerWaalsContact O-N 3.17Å | ||
| 42 | L | 49 | Very low | 46.2 | Very low | 171 Ų | 171 | 140.8 Ų | 140.8 | 90% | 0.895 | 82% | 0.817 | S | S | * | * | trans | -65 | 110.5 | 166 | -72.7 | 164.8 | 0 | 0 | 0 | 109 | S44 | L42-S44 PolarHBondContact O-N 2.72Š| ||
| 43 | R | 47.3 | Very low | 46.8 | Very low | 243 Ų | 243 | 146.8 Ų | 146.8 | 92% | 0.917 | 83% | 0.829 | S | S | * | * | trans | -93.1 | 79.5 | 164.9 | -78.8 | -170.9 | 160.7 | -138.6 | -3.5 | 109.6 | G41 | G41-R43 PolarHBondContact O-N 3.17Å; G41-R43 VanDerWaalsContact O-N 3.17Å | ||
| 44 | S | 51.6 | Low | 46.7 | Very low | 99 Ų | 99 | 141.5 Ų | 141.5 | 69% | 0.692 | 82% | 0.823 | S | S | * | * | trans | -59.5 | 127.4 | 157.6 | -57.1 | 0 | 0 | 0 | 0 | 108.7 | L42 S46 | L42-S44 PolarHBondContact O-N 2.72Å; S44-S46 PolarHBondContact O-N 2.88Å | ||
| 45 | R | 53.4 | Low | 47.1 | Very low | 248 Ų | 248 | 138.6 Ų | 138.6 | 94% | 0.936 | 82% | 0.821 | S | S | * | * | trans | -85.3 | 107 | 165.5 | 19 | -179.8 | 168 | -106.1 | -2.3 | 106.6 | ||||
| 46 | S | 48.5 | Very low | 46.4 | Very low | 107 Ų | 107 | 134.3 Ų | 134.3 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | trans | -66.1 | 136.4 | -174.7 | -50.2 | 0 | 0 | 0 | 0 | 112.2 | S44 | S44-S46 PolarHBondContact O-N 2.88Š| ||
| 47 | V | 48.1 | Very low | 45.6 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 79% | 0.788 | 82% | 0.818 | S | S | * | * | trans | -71.2 | 133.3 | 154.7 | -73.2 | 0 | 0 | 0 | 0 | 108.5 | S49 | V47-S49 PolarHBondContact O-N 2.97Š| ||
| 48 | S | 44.5 | Very low | 45.7 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | trans | -79 | 100.1 | 175.9 | -57.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 49 | S | 45.8 | Very low | 46.3 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | trans | -84.2 | 128.4 | 160 | -59.8 | 0 | 0 | 0 | 0 | 109 | V47 | V47-S49 PolarHBondContact O-N 2.97Š| ||
| 50 | V | 51.7 | Low | 45.6 | Very low | 142 Ų | 142 | 136.2 Ų | 136.2 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | trans | -89.5 | 113.7 | 163.3 | 57 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 51 | A | 40.7 | Very low | 45.6 | Very low | 91 Ų | 91 | 133.6 Ų | 133.6 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | trans | -82.9 | 138.5 | 156.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 52 | G | 40.8 | Very low | 45.6 | Very low | 73 Ų | 73 | 135.6 Ų | 135.6 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | cis | 96.4 | 91.6 | 45.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 53 | M | 50.6 | Low | 45 | Very low | 195 Ų | 195 | 136.7 Ų | 136.7 | 96% | 0.961 | 80% | 0.798 | S | S | * | * | trans | -102.3 | 116.4 | 164.7 | -53.2 | -168.4 | -169.3 | 0 | 0 | 106.9 | ||||
| 54 | G | 42.2 | Very low | 44.4 | Very low | 69 Ų | 69 | 128.6 Ų | 128.6 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | -70.4 | 178.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 55 | I | 45 | Very low | 43.6 | Very low | 156 Ų | 156 | 132.2 Ų | 132.2 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | cis | -167.7 | 140 | 18.3 | 36.2 | 167.2 | 0 | 0 | 0 | 103.3 | ||||
| 56 | E | 32.1 | Very low | 42.8 | Very low | 155 Ų | 155 | 131.9 Ų | 131.9 | 72% | 0.724 | 79% | 0.794 | S | S | * | * | 173.1 | 163.7 | 97.7 | -94.9 | -74.6 | 73.8 | 0 | 0 | 110.6 | |||||
| 57 | H | 39 | Very low | 42.7 | Very low | 161 Ų | 161 | 132.3 Ų | 132.3 | 75% | 0.745 | 79% | 0.792 | S | S | * | * | trans | -77.5 | 139.9 | -155.6 | -70.9 | 80 | 0 | 0 | 0 | 119.7 | ||||
| 58 | S | 41.3 | Very low | 42.6 | Very low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | 50.7 | 164.9 | 134.5 | -87.8 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 59 | P | 51.9 | Low | 42.2 | Very low | 112 Ų | 112 | 137.7 Ų | 137.7 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | cis | -136.5 | 174.6 | -21.6 | 34.7 | -14.5 | 0 | 0 | 0 | 115.7 | ||||
| 60 | A | 38.6 | Very low | 41.6 | Very low | 87 Ų | 87 | 135.8 Ų | 135.8 | 72% | 0.719 | 79% | 0.793 | S | S | * | * | trans | 73.6 | 114.3 | 152 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 61 | V | 48.8 | Very low | 41 | Very low | 143 Ų | 143 | 135.6 Ų | 135.6 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | 176 | 156.5 | 107.3 | -81.8 | 0 | 0 | 0 | 0 | 111 | |||||
| 62 | P | 45.7 | Very low | 40.6 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | -102.4 | 162 | -149.7 | 38.4 | -32.8 | 0 | 0 | 0 | 116.3 | ||||
| 63 | F | 38 | Very low | 40.5 | Very low | 193 Ų | 193 | 140 Ų | 140 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | 14.8 | 102.6 | 151.9 | -97.3 | -100.8 | 0 | 0 | 0 | 117.8 | F65 | F63-F65 HydrophobicContact CD1-CE2 4.36Š| ||
| 64 | G | 34.9 | Very low | 39.8 | Very low | 74 Ų | 74 | 138.1 Ų | 138.1 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | trans | -103.4 | 102.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 65 | F | 34.6 | Very low | 39.5 | Very low | 175 Ų | 175 | 146.6 Ų | 146.6 | 77% | 0.768 | 80% | 0.797 | S | S | * | * | trans | -61.3 | 132.3 | 161.3 | -75.5 | -99 | 0 | 0 | 0 | 109.7 | F63 T67 | F63-F65 HydrophobicContact CD1-CE2 4.36Å; F65-T67 PolarHBondContact O-N 3.28Å | ||
| 66 | Y | 36.6 | Very low | 39 | Very low | 241 Ų | 241 | 144 Ų | 144 | 95% | 0.945 | 80% | 0.799 | S | S | * | * | trans | -78.6 | 103.7 | 163.1 | -98.6 | -93.7 | 0 | 0 | 0 | 108.6 | ||||
| 67 | T | 45.5 | Very low | 39.2 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 71% | 0.712 | 80% | 0.804 | S | S | * | * | trans | -110.4 | 153.8 | 160.7 | 48 | 0 | 0 | 0 | 0 | 109.8 | F65 | F65-T67 PolarHBondContact O-N 3.28Š| ||
| 68 | P | 46.3 | Very low | 38.8 | Very low | 124 Ų | 124 | 136.9 Ų | 136.9 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | trans | -81.3 | 151.3 | -162.3 | 32.3 | -33.6 | 0 | 0 | 0 | 113.3 | G70 | P68-G70 PolarHBondContact O-N 3.36Š| ||
| 69 | R | 36.7 | Very low | 38.3 | Very low | 248 Ų | 248 | 135 Ų | 135 | 94% | 0.936 | 81% | 0.809 | S | S | * | * | trans | -35 | 114.4 | 171.3 | 179.4 | 165.8 | 151.3 | 166.7 | -7 | 113.8 | ||||
| 70 | G | 33.5 | Very low | 37.6 | Very low | 71 Ų | 71 | 135.6 Ų | 135.6 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 150.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | P68 | P68-G70 PolarHBondContact O-N 3.36Š|
| 71 | T | 37.4 | Very low | 37.3 | Very low | 138 Ų | 138 | 135.7 Ų | 135.7 | 85% | 0.847 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 139.4 | 166.9 | 46.3 | 0 | 0 | 0 | 0 | 110.6 | ||
| 72 | D | 33.4 | Very low | 36.5 | Very low | 166 Ų | 166 | 132.8 Ų | 132.8 | 89% | 0.888 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -75 | 135.9 | 175.9 | -155.6 | -95.8 | 0 | 0 | 0 | 110.6 | ||
| 73 | S | 38.8 | Very low | 36 | Very low | 89 Ų | 89 | 133.3 Ų | 133.3 | 62% | 0.622 | 83% | 0.825 | S | S | * | * | trans | -113.6 | 135.3 | 171.3 | -69.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 74 | D | 35.4 | Very low | 35.8 | Very low | 156 Ų | 156 | 130.4 Ų | 130.4 | 83% | 0.834 | 82% | 0.824 | S | S | * | * | 167.2 | 112.1 | 124.6 | -84.3 | -39.8 | 0 | 0 | 0 | 112.1 | |||||
| 75 | R | 35.2 | Very low | 35.5 | Very low | 247 Ų | 247 | 131.8 Ų | 131.8 | 93% | 0.932 | 83% | 0.828 | S | S | * | * | trans | -172.3 | 114.4 | 131.1 | -118 | 176.1 | 162.4 | 93.8 | -2.8 | 113.8 | ||||
| 76 | A | 36 | Very low | 35.6 | Very low | 102 Ų | 102 | 127.9 Ų | 127.9 | 84% | 0.843 | 83% | 0.828 | S | S | * | * | trans | 50.7 | 131.8 | 132.2 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 77 | G | 34.6 | Very low | 36.5 | Very low | 81 Ų | 81 | 122.1 Ų | 122.1 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | trans | 131.3 | 112.8 | 136.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 78 | G | 32.3 | Very low | 36 | Very low | 86 Ų | 86 | 126 Ų | 126 | 89% | 0.887 | 83% | 0.83 | S | S | * | * | trans | -82.6 | -179.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 79 | G | 30.7 | Very low | 35.3 | Very low | 71 Ų | 71 | 122.6 Ų | 122.6 | 73% | 0.732 | 82% | 0.817 | S | S | * | * | trans | 117.6 | 97.3 | 144.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 80 | S | 36.6 | Very low | 35.2 | Very low | 124 Ų | 124 | 118 Ų | 118 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | trans | 46.6 | 119.4 | 132.1 | 58.7 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 81 | G | 31.8 | Very low | 35 | Very low | 88 Ų | 88 | 118.1 Ų | 118.1 | 91% | 0.907 | 82% | 0.818 | S | S | * | * | 80.8 | 136.2 | 116.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 82 | G | 32.4 | Very low | 34.9 | Very low | 83 Ų | 83 | 122.5 Ų | 122.5 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | trans | 141.1 | 133.7 | 154.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 83 | T | 35.8 | Very low | 34.9 | Very low | 127 Ų | 127 | 123 Ų | 123 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | trans | -96.8 | 174.1 | -168.3 | 51 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 84 | T | 33.2 | Very low | 34.6 | Very low | 132 Ų | 132 | 125.2 Ų | 125.2 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | trans | 84.7 | 130.1 | 150.3 | 58.6 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 85 | A | 29.7 | Very low | 34.6 | Very low | 103 Ų | 103 | 122.8 Ų | 122.8 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | trans | 78.9 | 132 | 136.4 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 86 | A | 36.1 | Very low | 34.4 | Very low | 93 Ų | 93 | 114.8 Ų | 114.8 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | -82.6 | -157.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 87 | P | 55.5 | Low | 34.5 | Very low | 119 Ų | 119 | 114.2 Ų | 114.2 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | cis | -131.6 | 171.2 | -39.2 | 33.5 | -15.4 | 0 | 0 | 0 | 113.7 | ||||
| 88 | H | 34.7 | Very low | 34.4 | Very low | 198 Ų | 198 | 114.3 Ų | 114.3 | 92% | 0.917 | 82% | 0.817 | S | S | * | * | trans | -177.8 | 138.5 | 148.2 | -131 | -111.6 | 0 | 0 | 0 | 107.9 | ||||
| 89 | G | 31.7 | Very low | 34.5 | Very low | 52 Ų | 52 | 113.7 Ų | 113.7 | 54% | 0.536 | 81% | 0.811 | S | S | . | * | cis | 126.5 | 101.3 | 11.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 90 | T | 35.4 | Very low | 34.8 | Very low | 151 Ų | 151 | 119 Ų | 119 | 93% | 0.926 | 82% | 0.816 | S | S | * | * | trans | 165.7 | 124.9 | 151.7 | 31.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 91 | G | 29.2 | Very low | 34.9 | Very low | 75 Ų | 75 | 120.7 Ų | 120.7 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | cis | 112.4 | 96.5 | 13.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 92 | Y | 34 | Very low | 35.1 | Very low | 230 Ų | 230 | 121.6 Ų | 121.6 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | trans | -157.8 | 129.6 | 139.2 | 81.2 | -87.8 | 0 | 0 | 0 | 111 | ||||
| 93 | Q | 34.8 | Very low | 35.3 | Very low | 177 Ų | 177 | 124.5 Ų | 124.5 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | trans | -82.6 | 161.8 | 168.6 | -66.2 | 152.7 | 22.2 | 0 | 0 | 107.2 | ||||
| 94 | D | 30.6 | Very low | 36 | Very low | 134 Ų | 134 | 122.2 Ų | 122.2 | 72% | 0.717 | 80% | 0.796 | S | S | * | * | -178.2 | 147.4 | 55.2 | -175.4 | -122.1 | 0 | 0 | 0 | 110.6 | |||||
| 95 | S | 36.1 | Very low | 36.5 | Very low | 106 Ų | 106 | 122.3 Ų | 122.3 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | 19.2 | 145.6 | 147 | -50.2 | 0 | 0 | 0 | 0 | 124 | ||||
| 96 | G | 31.1 | Very low | 37.3 | Very low | 79 Ų | 79 | 126 Ų | 126 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | trans | 151.5 | 98 | 145.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 97 | G | 37.8 | Very low | 37.8 | Very low | 89 Ų | 89 | 131.3 Ų | 131.3 | 92% | 0.918 | 80% | 0.802 | S | S | * | * | trans | -80.5 | 175.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 98 | G | 32.3 | Very low | 37.9 | Very low | 83 Ų | 83 | 134 Ų | 134 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | trans | 133.5 | 119.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 99 | G | 35.8 | Very low | 38.1 | Very low | 73 Ų | 73 | 126.9 Ų | 126.9 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | trans | -93.3 | -163.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 100 | H | 35.3 | Very low | 39 | Very low | 182 Ų | 182 | 130.3 Ų | 130.3 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | 93.5 | 117.7 | 166.1 | -68.9 | -107.8 | 0 | 0 | 0 | 119.7 | ||||
| 101 | H | 40.5 | Very low | 39.9 | Very low | 161 Ų | 161 | 135.3 Ų | 135.3 | 75% | 0.745 | 81% | 0.807 | S | S | * | * | trans | 77.1 | 108.4 | 138.7 | -112.8 | -99.9 | 0 | 0 | 0 | 119.6 | ||||
| 102 | T | 35.5 | Very low | 40.7 | Very low | 107 Ų | 107 | 134.4 Ų | 134.4 | 66% | 0.656 | 80% | 0.797 | S | S | * | * | 167.1 | 137 | 102.7 | 37.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 103 | D | 37.2 | Very low | 41.6 | Very low | 143 Ų | 143 | 128.1 Ų | 128.1 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | trans | 66.2 | 94.5 | 141.4 | -51.1 | -27.1 | 0 | 0 | 0 | 121.4 | ||||
| 104 | G | 49.7 | Very low | 42.5 | Very low | 80 Ų | 80 | 127.1 Ų | 127.1 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | 60.8 | 87.7 | 108.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 105 | V | 44.2 | Very low | 43.5 | Very low | 134 Ų | 134 | 123.8 Ų | 123.8 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | trans | -139.9 | 98 | 149.1 | -159.8 | 0 | 0 | 0 | 0 | 108.8 | Y107 | V105-Y107 VanDerWaalsContact C-N 3.33Å; V105-Y107 PolarHBondContact O-N 3.11Å | ||
| 106 | L | 44.9 | Very low | 44.3 | Very low | 179 Ų | 179 | 125.8 Ų | 125.8 | 94% | 0.937 | 78% | 0.78 | S | S | * | * | trans | -75.8 | 87 | 171.8 | -65.7 | 178.1 | 0 | 0 | 0 | 108.8 | L108 | L106-L108 PolarHBondContact O-N 2.98Š| ||
| 107 | Y | 47.3 | Very low | 45.3 | Very low | 205 Ų | 205 | 128 Ų | 128 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -75.3 | 106 | 166.6 | -168.2 | -98.3 | 0 | 0 | 0 | 108.7 | V105 G109 | V105-Y107 VanDerWaalsContact C-N 3.33Å; V105-Y107 PolarHBondContact O-N 3.11Å; Y107-G109 PolarHBondContact O-N 3.07Å | ||
| 108 | L | 57 | Low | 46 | Very low | 176 Ų | 176 | 130.3 Ų | 130.3 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | trans | -70.7 | 95.6 | 173.7 | -158.2 | 78.2 | 0 | 0 | 0 | 108.5 | L106 | L106-L108 PolarHBondContact O-N 2.98Š| ||
| 109 | G | 40 | Very low | 46.9 | Very low | 48 Ų | 48 | 131.8 Ų | 131.8 | 50% | 0.495 | 76% | 0.763 | S | S | . | * | trans | -158.6 | 116 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y107 | Y107-G109 PolarHBondContact O-N 3.07Š| ||
| 110 | S | 50 | Low | 47.7 | Very low | 124 Ų | 124 | 136 Ų | 136 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | trans | 71.5 | 106.5 | 163.9 | -60.8 | 0 | 0 | 0 | 0 | 117.4 | G112 | S110-G112 PolarHBondContact O-N 3.28Š| ||
| 111 | R | 53.9 | Low | 48.8 | Very low | 257 Ų | 257 | 135.7 Ų | 135.7 | 97% | 0.97 | 77% | 0.766 | S | S | * | * | trans | -64.1 | 75.3 | 166.6 | -62.9 | 169.8 | 71.5 | 138.5 | 0.3 | 109.6 | S113 | R111-S113 PolarHBondContact O-N 2.84Š| ||
| 112 | G | 46.1 | Very low | 49.8 | Very low | 56 Ų | 56 | 135.7 Ų | 135.7 | 58% | 0.577 | 77% | 0.77 | S | S | * | * | trans | -67.3 | 118.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | S110 L114 | S110-G112 PolarHBondContact O-N 3.28Å; G112-L114 PolarHBondContact O-N 2.79Å | ||
| 113 | S | 53.8 | Low | 50.6 | Low | 97 Ų | 97 | 134.6 Ų | 134.6 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | trans | -59.7 | 105.6 | 174.4 | -174.5 | 0 | 0 | 0 | 0 | 109.4 | R111 A115 | R111-S113 PolarHBondContact O-N 2.84Å; S113-A115 PolarHBondContact O-N 3.06Å; S113-A115 VanDerWaalsContact O-N 3.13Å | ||
| 114 | L | 53.4 | Low | 51.2 | Low | 157 Ų | 157 | 132 Ų | 132 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | 37 | 174.4 | -63.3 | 177.9 | 0 | 0 | 0 | 111.7 | G112 | G112-L114 PolarHBondContact O-N 2.79Š|
| 115 | A | 52.2 | Low | 51.3 | Low | 64 Ų | 64 | 139.8 Ų | 139.8 | 53% | 0.529 | 77% | 0.767 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.5 | -14.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S113 | S113-A115 PolarHBondContact O-N 3.06Å; S113-A115 VanDerWaalsContact O-N 3.13Å |
| 116 | D | 51.5 | Low | 51.9 | Low | 148 Ų | 148 | 141.9 Ų | 141.9 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -100.1 | 14 | -166.7 | -73.4 | -58.3 | 0 | 0 | 0 | 116.1 | ||
| 117 | T | 51.8 | Low | 51.8 | Low | 125 Ų | 125 | 141.2 Ų | 141.2 | 77% | 0.767 | 75% | 0.75 | S | S | * | * | trans | -137.2 | 53 | 172.6 | 55 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 118 | L | 53.6 | Low | 52 | Low | 137 Ų | 137 | 134.9 Ų | 134.9 | 72% | 0.717 | 74% | 0.736 | S | S | * | * | trans | -109.3 | 124.4 | 168.2 | -77.7 | 162.6 | 0 | 0 | 0 | 110.5 | L120 | L118-L120 PolarHBondContact O-N 3.39Š| ||
| 119 | P | 51.2 | Low | 51.7 | Low | 114 Ų | 114 | 131.3 Ų | 131.3 | 74% | 0.74 | 73% | 0.731 | S | S | * | * | trans | -59.4 | 126.2 | -179 | -21.5 | 31.2 | 0 | 0 | 0 | 112.2 | H121 | P119-H121 PolarHBondContact O-N 2.76Š| ||
| 120 | L | 52.1 | Low | 52.5 | Low | 163 Ų | 163 | 136.5 Ų | 136.5 | 85% | 0.853 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | 22.4 | -170.4 | -71.7 | 176.2 | 0 | 0 | 0 | 117.1 | L118 | L118-L120 PolarHBondContact O-N 3.39Š|
| 121 | H | 58.3 | Low | 53.1 | Low | 174 Ų | 174 | 136 Ų | 136 | 81% | 0.806 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.5 | -5.1 | -168.2 | -69.6 | -70.4 | 0 | 0 | 0 | 117.7 | P119 | P119-H121 PolarHBondContact O-N 2.76Š|
| 122 | I | 62 | Low | 54 | Low | 162 Ų | 162 | 125 Ų | 125 | 83% | 0.831 | 71% | 0.705 | S | S | * | * | trans | -142.4 | 31.3 | -179.8 | -40.1 | 176 | 0 | 0 | 0 | 113.3 | P124 | I122-P124 WeakPolarHBondContact O-CD 3.39Š| ||
| 123 | A | 51.6 | Low | 55.8 | Low | 83 Ų | 83 | 126.7 Ų | 126.7 | 69% | 0.686 | 70% | 0.697 | S | S | * | * | trans | -85.7 | 120 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | R125 | A123-R125 PolarHBondContact O-N 3.47Š| ||
| 124 | P | 50.9 | Low | 57.5 | Low | 88 Ų | 88 | 128.9 Ų | 128.9 | 57% | 0.571 | 69% | 0.694 | S | S | * | * | trans | -58.3 | 129.7 | 167.1 | 26.6 | -33.1 | 0 | 0 | 0 | 107.1 | I122 W126 | I122-P124 WeakPolarHBondContact O-CD 3.39Å; P124-W126 PolarHBondContact O-N 2.89Å | ||
| 125 | R | 51.9 | Low | 59.2 | Low | 244 Ų | 244 | 121.5 Ų | 121.5 | 92% | 0.921 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | 25.2 | -163.4 | -61.5 | -173.7 | 145.1 | 170.9 | -6 | 115.8 | A123 | A123-R125 PolarHBondContact O-N 3.47Š|
| 126 | W | 56 | Low | 60.8 | Low | 178 Ų | 178 | 123.2 Ų | 123.2 | 67% | 0.674 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | -15.5 | -171.7 | 71 | -74.4 | 0 | 0 | 0 | 114.5 | P124 S128 | P124-W126 PolarHBondContact O-N 2.89Å; W126-S128 PolarHBondContact O-N 2.79Å |
| 127 | F | 44.1 | Very low | 62.5 | Low | 166 Ų | 166 | 117.2 Ų | 117.2 | 73% | 0.728 | 63% | 0.63 | S | S | * | * | trans | -88.8 | 54.1 | 161.3 | -74.2 | -73 | 0 | 0 | 0 | 110.3 | A129 | F127-A129 PolarHBondContact O-N 3.36Š| ||
| 128 | S | 50.6 | Low | 64.1 | Low | 72 Ų | 72 | 112.1 Ų | 112.1 | 50% | 0.503 | 60% | 0.599 | S | S | . | * | trans | -64.6 | 103.7 | 156.4 | -81.5 | 0 | 0 | 0 | 0 | 106.8 | W126 H130 | W126-S128 PolarHBondContact O-N 2.79Å; S128-H130 VanDerWaalsContact CB-CD2 3.48Å; S128-H130 WeakPolarHBondContact CB-CD2 3.35Å; S128-H130 PolarHBondContact O-N 2.55Å | ||
| 129 | A | 51.8 | Low | 65.6 | Low | 100 Ų | 100 | 107.2 Ų | 107.2 | 83% | 0.826 | 58% | 0.576 | S | S | * | * | trans | -65.1 | 56.9 | 161 | 0 | 0 | 0 | 0 | 0 | 110.1 | F127 | F127-A129 PolarHBondContact O-N 3.36Š| ||
| 130 | H | 55.1 | Low | 67.2 | Low | 158 Ų | 158 | 107.3 Ų | 107.3 | 73% | 0.731 | 57% | 0.565 | S | S | * | * | trans | -118.5 | 54.6 | 176.5 | -62.5 | -48.4 | 0 | 0 | 0 | 108.6 | S128 G132 | S128-H130 VanDerWaalsContact CB-CD2 3.48Å; S128-H130 WeakPolarHBondContact CB-CD2 3.35Å; S128-H130 PolarHBondContact O-N 2.55Å; H130-G132 PolarHBondContact O-N 2.9Å | ||
| 131 | S | 64.1 | Low | 69 | Low | 113 Ų | 113 | 104.1 Ų | 104.1 | 79% | 0.79 | 56% | 0.557 | S | S | * | * | trans | -75.6 | 63.5 | 152.8 | 63.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 132 | G | 71.5 | Confident | 70.5 | Confident | 25 Ų | 25 | 96.3 Ų | 96.3 | 26% | 0.258 | 52% | 0.521 | S | S | . | . | trans | -59.7 | 138.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | H130 K134 V142 | H130-G132 PolarHBondContact O-N 2.9Å; G132-K134 PolarHBondContact O-N 3.3Å; G132-V142 CarbonylContact C-O 3.56Å; G132-V142 WeakPolarHBondContact CA-O 3.48Å | ||
| 133 | F | 85.4 | Confident | 71.8 | Confident | 93 Ų | 93 | 90.7 Ų | 90.7 | 41% | 0.408 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 131.4 | 175.1 | 179.7 | -81.7 | 0 | 0 | 0 | 108.8 | C135 V142 M147 F151 | F133-C135 PolarHBondContact O-N 3.43Å; F133-V142 PolarHBondContact N-O 3.48Å; F133-V142 PolarHBondContact O-N 2.85Å; F133-M147 HydrophobicContact CB-CE 3.36Å; F133-M147 HydrophobicContact CB-SD 4.22Å; F133-M147 HydrophobicContact CD1-CE 4.29Å; F133-M147 HydrophobicContact CD1-CG 4.28Å; F133-M147 HydrophobicContact CD1-SD 4.05Å; F133-M147 HydrophobicContact CD2-CE 3.92Å; F133-M147 HydrophobicContact CD2-SD 4.17Å; F133-M147 HydrophobicContact CG-CE 3.59Å; F133-M147 HydrophobicContact CG-CG 4.49Å; F133-M147 HydrophobicContact CG-SD 3.87Å; F133-F151 AromaticContact CD1-CE1 3.9Å; F133-F151 HydrophobicContact CD1-CE1 3.9Å; F133-F151 AromaticContact CD1-CZ 3.5Å; F133-F151 HydrophobicContact CD1-CZ 3.5Å; F133-F151 VanDerWaalsContact CD1-CZ 3.5Å; F133-F151 AromaticContact CE1-CE1 3.74Å; F133-F151 HydrophobicContact CE1-CE1 3.74Å; F133-F151 HydrophobicContact CE1-CE2 4.25Å; F133-F151 AromaticContact CE1-CZ 3.19Å; F133-F151 HydrophobicContact CE1-CZ 3.19Å; F133-F151 AromaticContact CZ-CZ 3.97Å; F133-F151 HydrophobicContact CZ-CZ 3.97Å |
| 134 | K | 89.5 | Confident | 73.6 | Confident | 143 Ų | 143 | 91.2 Ų | 91.2 | 62% | 0.622 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 115.7 | -179.8 | -160.7 | -179.8 | -178.6 | -173.2 | 0 | 109.6 | G132 S139 | G132-K134 PolarHBondContact O-N 3.3Å; K134-S139 WeakPolarHBondContact CE-O 3.42Å; K134-S139 WeakPolarHBondContact CG-O 3.28Å |
| 135 | C | 88 | Confident | 75.4 | Confident | 2 Ų | 2 | 93.5 Ų | 93.5 | 1% | 0.014 | 51% | 0.505 | C | S | . | . | trans | -62.4 | 126.8 | 178.3 | 178.4 | 0 | 0 | 0 | 0 | 111.1 | F133 V137 S139 K140 V142 H150 F151 | F133-C135 PolarHBondContact O-N 3.43Å; C135-V137 PolarHBondContact O-N 3.39Å; C135-V137 PolarHBondContact SG-N 3.05Å; C135-V137 VanDerWaalsContact SG-N 3.44Å; C135-S139 VanDerWaalsContact O-CA 3.26Å; C135-S139 WeakPolarHBondContact O-CA 3.25Å; C135-S139 PolarHBondContact O-N 3.44Å; C135-K140 PolarHBondContact N-O 3.44Å; C135-V142 HydrophobicContact CB-CG2 4.47Å; C135-H150 WeakPolarHBondContact CB-NE2 3.46Å; C135-H150 VanDerWaalsContact SG-CD2 3.5Å; C135-H150 PolarHBondContact SG-NE2 3.41Å; C135-F151 HydrophobicContact CB-CE1 4.21Å | ||
| 136 | P | 86.8 | Confident | 77.3 | Confident | 99 Ų | 99 | 86.7 Ų | 86.7 | 64% | 0.643 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -9.4 | 179.6 | 30.3 | -37 | 0 | 0 | 0 | 113.4 | ||
| 137 | V | 85.9 | Confident | 79 | Confident | 23 Ų | 23 | 80.3 Ų | 80.3 | 14% | 0.139 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -44 | -178.3 | -174.8 | 0 | 0 | 0 | 0 | 111.6 | C135 C154 L155 R209 | C135-V137 PolarHBondContact O-N 3.39Å; C135-V137 PolarHBondContact SG-N 3.05Å; C135-V137 VanDerWaalsContact SG-N 3.44Å; V137-C154 HydrophobicContact CB-CB 3.99Å; V137-C154 HydrophobicContact CG1-CB 4.06Å; V137-C154 HydrophobicContact CG2-CB 4.36Å; V137-L155 HydrophobicContact CG2-CD2 3.46Å; V137-L155 VanDerWaalsContact CG2-CD2 3.46Å; V137-L155 HydrophobicContact CG2-CG 4.02Å; V137-R209 VanDerWaalsContact O-CD 3.26Å; V137-R209 WeakPolarHBondContact O-CD 3.46Å; V137-R209 PolarHBondContact O-NE 2.9Å; V137-R209 PolarHBondContact O-NH1 2.74Å |
| 138 | C | 85.2 | Confident | 81.3 | Confident | 17 Ų | 17 | 80 Ų | 80 | 12% | 0.115 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.6 | 4.9 | -171.5 | 71.7 | 0 | 0 | 0 | 0 | 113.9 | K140 H150 | C138-K140 HydrophobicContact CB-CG 4.48Å; C138-K140 PolarHBondContact O-N 2.83Å; C138-H150 VanDerWaalsContact SG-CE1 3.5Å; C138-H150 PolarHBondContact SG-NE2 3.09Å |
| 139 | S | 85.4 | Confident | 83.2 | Confident | 35 Ų | 35 | 81.1 Ų | 81.1 | 25% | 0.245 | 47% | 0.466 | C | S | . | . | trans | 64.4 | -5.4 | -179.4 | -38.7 | 0 | 0 | 0 | 0 | 116 | K134 C135 I207 | K134-S139 WeakPolarHBondContact CE-O 3.42Å; K134-S139 WeakPolarHBondContact CG-O 3.28Å; C135-S139 VanDerWaalsContact O-CA 3.26Å; C135-S139 WeakPolarHBondContact O-CA 3.25Å; C135-S139 PolarHBondContact O-N 3.44Å; S139-I207 VanDerWaalsContact CB-O 3.28Å; S139-I207 WeakPolarHBondContact CB-O 3.43Å; S139-I207 PolarHBondContact OG-O 2.87Å | ||
| 140 | K | 85.2 | Confident | 85.1 | Confident | 116 Ų | 116 | 77.5 Ų | 77.5 | 50% | 0.504 | 43% | 0.432 | S | S | . | . | trans | -68.2 | 137 | -178.2 | -63.3 | -179 | -178.7 | -177.5 | 0 | 110 | C135 C138 | C135-K140 PolarHBondContact N-O 3.44Å; C138-K140 HydrophobicContact CB-CG 4.48Å; C138-K140 PolarHBondContact O-N 2.83Å | ||
| 141 | S | 89.6 | Confident | 86.9 | Confident | 96 Ų | 96 | 72.3 Ų | 72.3 | 67% | 0.671 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 126.6 | 171.9 | 55.4 | 0 | 0 | 0 | 0 | 109.5 | ||
| 142 | V | 89.7 | Confident | 88.3 | Confident | 10 Ų | 10 | 72.7 Ų | 72.7 | 6% | 0.061 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 139.6 | -175.6 | -170.1 | 0 | 0 | 0 | 0 | 109.1 | G132 F133 C135 E146 H150 | G132-V142 CarbonylContact C-O 3.56Å; G132-V142 WeakPolarHBondContact CA-O 3.48Å; F133-V142 PolarHBondContact N-O 3.48Å; F133-V142 PolarHBondContact O-N 2.85Å; C135-V142 HydrophobicContact CB-CG2 4.47Å; V142-E146 HydrophobicContact CG1-CB 3.7Å; V142-H150 HydrophobicContact CB-CB 4.48Å; V142-H150 HydrophobicContact CG1-CB 3.74Å; V142-H150 HydrophobicContact CG2-CB 4Å; V142-H150 VanDerWaalsContact CG2-CD2 3.45Å; V142-H150 WeakPolarHBondContact CG2-CD2 3.32Å; V142-H150 VanDerWaalsContact CG2-CG 3.4Å |
| 143 | A | 90.6 | Very high | 89.1 | Confident | 44 Ų | 44 | 76.5 Ų | 76.5 | 36% | 0.364 | 41% | 0.411 | S | S | . | . | trans | -63.3 | 148.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | N145 E146 M147 | A143-N145 WeakPolarHBondContact CB-OD1 3.31Å; A143-N145 PolarHBondContact O-N 3.15Å; A143-N145 VanDerWaalsContact O-N 3.16Å; A143-E146 PolarHBondContact O-N 3.06Å; A143-M147 PolarHBondContact O-N 3.34Å | ||
| 144 | S | 87.9 | Confident | 89.3 | Confident | 93 Ų | 93 | 72.9 Ų | 72.9 | 65% | 0.65 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -59.4 | -31.8 | -174.2 | -54.3 | 0 | 0 | 0 | 0 | 113.4 | E146 | S144-E146 VanDerWaalsContact C-N 3.29Å; S144-E146 PolarHBondContact O-N 3.13Å |
| 145 | N | 89.2 | Confident | 89.2 | Confident | 136 Ų | 136 | 72 Ų | 72 | 73% | 0.727 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -75.9 | -11.5 | 176.8 | 63.9 | -36 | 0 | 0 | 0 | 114 | A143 | A143-N145 WeakPolarHBondContact CB-OD1 3.31Å; A143-N145 PolarHBondContact O-N 3.15Å; A143-N145 VanDerWaalsContact O-N 3.16Å |
| 146 | E | 91 | Very high | 89.3 | Confident | 102 Ų | 102 | 76 Ų | 76 | 48% | 0.477 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -113.6 | 0.9 | -178.8 | -67.1 | 175 | 178.2 | 0 | 0 | 112.4 | V142 A143 S144 E148 V149 H150 | V142-E146 HydrophobicContact CG1-CB 3.7Å; A143-E146 PolarHBondContact O-N 3.06Å; S144-E146 VanDerWaalsContact C-N 3.29Å; S144-E146 PolarHBondContact O-N 3.13Å; E146-E148 PolarHBondContact O-N 2.89Å; E146-V149 HydrophobicContact CB-CG2 4.24Å; E146-V149 WeakPolarHBondContact O-CG2 3.4Å; E146-H150 WeakPolarHBondContact O-CB 3.38Å; E146-H150 PolarHBondContact O-N 3.44Å |
| 147 | M | 91.5 | Very high | 89.1 | Confident | 44 Ų | 44 | 75.5 Ų | 75.5 | 22% | 0.217 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -60.4 | -47.8 | -174.5 | -172.1 | -174.9 | -47.2 | 0 | 0 | 112.7 | F133 A143 H150 F151 | F133-M147 HydrophobicContact CB-CE 3.36Å; F133-M147 HydrophobicContact CB-SD 4.22Å; F133-M147 HydrophobicContact CD1-CE 4.29Å; F133-M147 HydrophobicContact CD1-CG 4.28Å; F133-M147 HydrophobicContact CD1-SD 4.05Å; F133-M147 HydrophobicContact CD2-CE 3.92Å; F133-M147 HydrophobicContact CD2-SD 4.17Å; F133-M147 HydrophobicContact CG-CE 3.59Å; F133-M147 HydrophobicContact CG-CG 4.49Å; F133-M147 HydrophobicContact CG-SD 3.87Å; A143-M147 PolarHBondContact O-N 3.34Å; M147-H150 PolarHBondContact O-N 3.25Å; M147-F151 HydrophobicContact CG-CD1 4.45Å; M147-F151 HydrophobicContact CG-CD2 4.17Å; M147-F151 HydrophobicContact CG-CE1 3.81Å; M147-F151 HydrophobicContact CG-CE2 3.51Å; M147-F151 HydrophobicContact CG-CZ 3.25Å; M147-F151 WeakPolarHBondContact O-CD1 3.27Å; M147-F151 WeakPolarHBondContact O-CG 3.42Å; M147-F151 PolarHBondContact O-N 3.17Å; M147-F151 HydrophobicContact SD-CE2 3.75Å; M147-F151 HydrophobicContact SD-CZ 3.66Å |
| 148 | E | 92.4 | Very high | 88.9 | Confident | 160 Ų | 160 | 80.2 Ų | 80.2 | 75% | 0.748 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -64.6 | -48.9 | -176.8 | -68.5 | -179 | 178.5 | 0 | 0 | 111.7 | E146 H150 F151 I152 | E146-E148 PolarHBondContact O-N 2.89Å; E148-H150 VanDerWaalsContact C-N 3.3Å; E148-H150 PolarHBondContact O-N 3.48Å; E148-F151 PolarHBondContact O-N 3.21Å; E148-I152 WeakPolarHBondContact O-CG1 3.49Å; E148-I152 PolarHBondContact O-N 3.01Å |
| 149 | V | 91.8 | Very high | 88.7 | Confident | 95 Ų | 95 | 88.4 Ų | 88.4 | 58% | 0.576 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.3 | -38.7 | 178.2 | -63.4 | 0 | 0 | 0 | 0 | 111.2 | E146 M153 | E146-V149 HydrophobicContact CB-CG2 4.24Å; E146-V149 WeakPolarHBondContact O-CG2 3.4Å; V149-M153 WeakPolarHBondContact O-CB 3.3Å; V149-M153 PolarHBondContact O-N 2.87Å |
| 150 | H | 92.3 | Very high | 88.7 | Confident | 23 Ų | 23 | 89.6 Ų | 89.6 | 11% | 0.106 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -65.9 | -41.9 | 175.6 | -179.7 | 94.9 | 0 | 0 | 0 | 112.1 | C135 C138 V142 E146 M147 E148 M153 C154 | C135-H150 WeakPolarHBondContact CB-NE2 3.46Å; C135-H150 VanDerWaalsContact SG-CD2 3.5Å; C135-H150 PolarHBondContact SG-NE2 3.41Å; C138-H150 VanDerWaalsContact SG-CE1 3.5Å; C138-H150 PolarHBondContact SG-NE2 3.09Å; V142-H150 HydrophobicContact CB-CB 4.48Å; V142-H150 HydrophobicContact CG1-CB 3.74Å; V142-H150 HydrophobicContact CG2-CB 4Å; V142-H150 VanDerWaalsContact CG2-CD2 3.45Å; V142-H150 WeakPolarHBondContact CG2-CD2 3.32Å; V142-H150 VanDerWaalsContact CG2-CG 3.4Å; E146-H150 WeakPolarHBondContact O-CB 3.38Å; E146-H150 PolarHBondContact O-N 3.44Å; M147-H150 PolarHBondContact O-N 3.25Å; E148-H150 VanDerWaalsContact C-N 3.3Å; E148-H150 PolarHBondContact O-N 3.48Å; H150-M153 PolarHBondContact O-N 3.21Å; H150-C154 PolarHBondContact CE1-SG 3.2Å; H150-C154 PolarHBondContact NE2-SG 3.48Å; H150-C154 WeakPolarHBondContact O-CB 3.11Å; H150-C154 PolarHBondContact O-N 3.38Å |
| 151 | F | 91.2 | Very high | 88.9 | Confident | 49 Ų | 49 | 88.1 Ų | 88.1 | 22% | 0.215 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -66.4 | -42.4 | 177.3 | -71.4 | -5.9 | 0 | 0 | 0 | 112.3 | F133 C135 M147 E148 M153 C154 L155 | F133-F151 AromaticContact CD1-CE1 3.9Å; F133-F151 HydrophobicContact CD1-CE1 3.9Å; F133-F151 AromaticContact CD1-CZ 3.5Å; F133-F151 HydrophobicContact CD1-CZ 3.5Å; F133-F151 VanDerWaalsContact CD1-CZ 3.5Å; F133-F151 AromaticContact CE1-CE1 3.74Å; F133-F151 HydrophobicContact CE1-CE1 3.74Å; F133-F151 HydrophobicContact CE1-CE2 4.25Å; F133-F151 AromaticContact CE1-CZ 3.19Å; F133-F151 HydrophobicContact CE1-CZ 3.19Å; F133-F151 AromaticContact CZ-CZ 3.97Å; F133-F151 HydrophobicContact CZ-CZ 3.97Å; C135-F151 HydrophobicContact CB-CE1 4.21Å; M147-F151 HydrophobicContact CG-CD1 4.45Å; M147-F151 HydrophobicContact CG-CD2 4.17Å; M147-F151 HydrophobicContact CG-CE1 3.81Å; M147-F151 HydrophobicContact CG-CE2 3.51Å; M147-F151 HydrophobicContact CG-CZ 3.25Å; M147-F151 WeakPolarHBondContact O-CD1 3.27Å; M147-F151 WeakPolarHBondContact O-CG 3.42Å; M147-F151 PolarHBondContact O-N 3.17Å; M147-F151 HydrophobicContact SD-CE2 3.75Å; M147-F151 HydrophobicContact SD-CZ 3.66Å; E148-F151 PolarHBondContact O-N 3.21Å; F151-M153 VanDerWaalsContact C-N 3.3Å; F151-M153 PolarHBondContact O-N 3.18Å; F151-C154 PolarHBondContact O-N 3.18Å; F151-L155 HydrophobicContact CB-CD1 4.31Å; F151-L155 WeakPolarHBondContact O-CB 3.38Å; F151-L155 VanDerWaalsContact O-CG 3.26Å; F151-L155 WeakPolarHBondContact O-CG 3.34Å; F151-L155 PolarHBondContact O-N 3.15Å |
| 152 | I | 93.5 | Very high | 89.1 | Confident | 121 Ų | 121 | 85.5 Ų | 85.5 | 62% | 0.621 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -57.4 | -50.6 | 175.7 | -67.4 | 166.5 | 0 | 0 | 0 | 108.7 | E148 C154 S156 | E148-I152 WeakPolarHBondContact O-CG1 3.49Å; E148-I152 PolarHBondContact O-N 3.01Å; I152-C154 PolarHBondContact O-N 2.94Å; I152-S156 WeakPolarHBondContact O-CB 3.49Å; I152-S156 PolarHBondContact O-N 3.02Å; I152-S156 PolarHBondContact O-OG 2.87Å |
| 153 | M | 89.7 | Confident | 89.4 | Confident | 105 Ų | 105 | 90 Ų | 90 | 52% | 0.517 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.1 | -40.2 | -179.9 | -176.8 | 163.2 | 56 | 0 | 0 | 113.3 | V149 H150 F151 S156 K157 | V149-M153 WeakPolarHBondContact O-CB 3.3Å; V149-M153 PolarHBondContact O-N 2.87Å; H150-M153 PolarHBondContact O-N 3.21Å; F151-M153 VanDerWaalsContact C-N 3.3Å; F151-M153 PolarHBondContact O-N 3.18Å; M153-S156 PolarHBondContact O-OG 3.04Å; M153-K157 WeakPolarHBondContact O-CG 3.1Å; M153-K157 PolarHBondContact O-N 2.93Å |
| 154 | C | 88.4 | Confident | 89.6 | Confident | 17 Ų | 17 | 92.3 Ų | 92.3 | 12% | 0.115 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -74.5 | -38.7 | 180 | -83.6 | 0 | 0 | 0 | 0 | 113 | V137 H150 F151 I152 | V137-C154 HydrophobicContact CB-CB 3.99Å; V137-C154 HydrophobicContact CG1-CB 4.06Å; V137-C154 HydrophobicContact CG2-CB 4.36Å; H150-C154 PolarHBondContact CE1-SG 3.2Å; H150-C154 PolarHBondContact NE2-SG 3.48Å; H150-C154 WeakPolarHBondContact O-CB 3.11Å; H150-C154 PolarHBondContact O-N 3.38Å; F151-C154 PolarHBondContact O-N 3.18Å; I152-C154 PolarHBondContact O-N 2.94Å |
| 155 | L | 88.1 | Confident | 89.8 | Confident | 124 Ų | 124 | 90.9 Ų | 90.9 | 65% | 0.649 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -77.6 | -28.5 | 178.5 | -68 | 168.8 | 0 | 0 | 0 | 112 | V137 F151 K157 | V137-L155 HydrophobicContact CG2-CD2 3.46Å; V137-L155 VanDerWaalsContact CG2-CD2 3.46Å; V137-L155 HydrophobicContact CG2-CG 4.02Å; F151-L155 HydrophobicContact CB-CD1 4.31Å; F151-L155 WeakPolarHBondContact O-CB 3.38Å; F151-L155 VanDerWaalsContact O-CG 3.26Å; F151-L155 WeakPolarHBondContact O-CG 3.34Å; F151-L155 PolarHBondContact O-N 3.15Å; L155-K157 VanDerWaalsContact C-N 3.32Å |
| 156 | S | 89.4 | Confident | 90.1 | Very high | 86 Ų | 86 | 89.2 Ų | 89.2 | 60% | 0.601 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -75.3 | -20.7 | 174.5 | 69 | 0 | 0 | 0 | 0 | 113.1 | I152 M153 | I152-S156 WeakPolarHBondContact O-CB 3.49Å; I152-S156 PolarHBondContact O-N 3.02Å; I152-S156 PolarHBondContact O-OG 2.87Å; M153-S156 PolarHBondContact O-OG 3.04Å |
| 157 | K | 83.5 | Confident | 90.3 | Very high | 90 Ų | 90 | 84.8 Ų | 84.8 | 39% | 0.391 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -68.8 | 121.6 | 173.6 | -87.1 | 177.5 | 172 | 177.9 | 0 | 108.6 | M153 L155 R159 D217 | M153-K157 WeakPolarHBondContact O-CG 3.1Å; M153-K157 PolarHBondContact O-N 2.93Å; L155-K157 VanDerWaalsContact C-N 3.32Å; K157-R159 PolarHBondContact O-N 2.74Å; K157-D217 PolarHBondContact NZ-O 2.81Å; K157-D217 PolarHBondContact NZ-OXT 3.37Å |
| 158 | P | 81.4 | Confident | 90.4 | Very high | 121 Ų | 121 | 86.6 Ų | 86.6 | 79% | 0.786 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 140.6 | 178.2 | 24.7 | -32.8 | 0 | 0 | 0 | 109.4 | L160 | P158-L160 PolarHBondContact O-N 3.35Å; P158-L160 VanDerWaalsContact O-N 3.17Å |
| 159 | R | 80.9 | Confident | 90.4 | Very high | 190 Ų | 190 | 88.5 Ų | 88.5 | 72% | 0.717 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 123.3 | 175.8 | -64.7 | -168.3 | 71 | 165.7 | 0.7 | 108.2 | K157 S161 | K157-R159 PolarHBondContact O-N 2.74Å; R159-S161 PolarHBondContact O-N 3.34Å; R159-S161 VanDerWaalsContact O-N 3.09Å |
| 160 | L | 86.1 | Confident | 90.5 | Very high | 60 Ų | 60 | 89.2 Ų | 89.2 | 31% | 0.314 | 47% | 0.469 | S | S | . | . | trans | -61.1 | 114.1 | 175.9 | -163.2 | 73.7 | 0 | 0 | 0 | 108.4 | P158 L190 P191 F205 | P158-L160 PolarHBondContact O-N 3.35Å; P158-L160 VanDerWaalsContact O-N 3.17Å; L160-L190 HydrophobicContact CD2-CD2 3.85Å; L160-L190 HydrophobicContact CD2-CG 4.46Å; L160-P191 HydrophobicContact CD1-CG 4.39Å; L160-F205 HydrophobicContact CB-CZ 4.45Å; L160-F205 HydrophobicContact CD2-CE1 4.02Å; L160-F205 HydrophobicContact CD2-CZ 3.69Å; L160-F205 HydrophobicContact CG-CZ 4.33Å | ||
| 161 | S | 88.8 | Confident | 90.3 | Very high | 84 Ų | 84 | 89.8 Ų | 89.8 | 59% | 0.587 | 48% | 0.478 | S | S | * | . | trans | -98.9 | 149.8 | 174.1 | 59.7 | 0 | 0 | 0 | 0 | 109.9 | R159 P191 | R159-S161 PolarHBondContact O-N 3.34Å; R159-S161 VanDerWaalsContact O-N 3.09Å; S161-P191 VanDerWaalsContact O-CD 3.24Å; S161-P191 WeakPolarHBondContact O-CD 3.13Å; S161-P191 WeakPolarHBondContact O-CG 3.28Å | ||
| 162 | Y | 94.3 | Very high | 90.5 | Very high | 42 Ų | 42 | 90.3 Ų | 90.3 | 17% | 0.165 | 50% | 0.497 | C | S | . | . | trans | -118.2 | 162.6 | 169.5 | 56.9 | -110.7 | 0 | 0 | 0 | 109.8 | D164 A188 R189 K198 I201 D202 F205 | Y162-D164 WeakPolarHBondContact CE2-OD1 3.43Å; Y162-A188 HydrophobicContact CD1-CB 4.02Å; Y162-A188 HydrophobicContact CD2-CB 3.53Å; Y162-A188 HydrophobicContact CE1-CB 4.31Å; Y162-A188 HydrophobicContact CE2-CB 3.89Å; Y162-A188 HydrophobicContact CG-CB 3.62Å; Y162-R189 CarbonylContact C-O 3.54Å; Y162-R189 VanDerWaalsContact CA-O 3.32Å; Y162-R189 WeakPolarHBondContact CA-O 3.48Å; Y162-R189 WeakPolarHBondContact CB-O 3.41Å; Y162-K198 PolarHBondContact OH-NZ 2.88Å; Y162-I201 HydrophobicContact CD1-CG2 3.97Å; Y162-I201 HydrophobicContact CE1-CG2 3.7Å; Y162-D202 WeakPolarHBondContact CE1-OD1 3.48Å; Y162-D202 PolarHBondContact OH-OD1 2.79Å; Y162-D202 PolarHBondContact OH-OD2 3.32Å; Y162-F205 AromaticContact CD1-CE2 3.83Å; Y162-F205 HydrophobicContact CD1-CE2 3.83Å; Y162-F205 HydrophobicContact CE1-CD2 4.47Å; Y162-F205 HydrophobicContact CE1-CE2 4.17Å | ||
| 163 | N | 94.9 | Very high | 90.6 | Very high | 105 Ų | 105 | 90.4 Ų | 90.4 | 56% | 0.561 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 129.6 | 167 | -64.5 | -35.5 | 0 | 0 | 0 | 109.1 | A188 R189 | N163-A188 WeakPolarHBondContact O-CA 3.22Å; N163-R189 PolarHBondContact N-O 3.23Å; N163-R189 PolarHBondContact O-N 2.96Å |
| 164 | D | 94.4 | Very high | 91 | Very high | 91 Ų | 91 | 85.4 Ų | 85.4 | 49% | 0.487 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 117.2 | 168.1 | -71.3 | -76.1 | 0 | 0 | 0 | 108.8 | Y162 K198 | Y162-D164 WeakPolarHBondContact CE2-OD1 3.43Å; D164-K198 VanDerWaalsContact OD1-CD 3.28Å; D164-K198 WeakPolarHBondContact OD1-CD 3.27Å; D164-K198 WeakPolarHBondContact OD1-CE 3.24Å; D164-K198 IonicContact OD1-NZ 3.81Å; D164-K198 PolarHBondContact OD1-NZ 3.34Å; D164-K198 IonicContact OD2-NZ 2.72Å |
| 165 | D | 93.5 | Very high | 91.3 | Very high | 64 Ų | 64 | 87.5 Ų | 87.5 | 34% | 0.342 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 159.6 | -179.5 | -72.3 | -40.9 | 0 | 0 | 0 | 110.3 | I187 R189 | D165-I187 HydrophobicContact CB-CD1 3.88Å; D165-I187 HydrophobicContact CB-CG1 3.81Å; D165-I187 PolarHBondContact N-O 3.21Å; D165-I187 VanDerWaalsContact O-CG1 3.25Å; D165-I187 WeakPolarHBondContact O-CG1 3.42Å; D165-I187 PolarHBondContact O-N 3.44Å; D165-R189 IonicContact OD2-NE 3.55Å |
| 166 | V | 95.5 | Very high | 91.7 | Very high | 100 Ų | 100 | 84.3 Ų | 84.3 | 61% | 0.606 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 128.3 | 166.2 | 179 | 0 | 0 | 0 | 0 | 108.2 | A168 D185 | V166-A168 PolarHBondContact O-N 3.19Å; V166-D185 WeakPolarHBondContact CA-O 3.26Å |
| 167 | L | 94.3 | Very high | 92.1 | Very high | 10 Ų | 10 | 82.3 Ų | 82.3 | 5% | 0.052 | 45% | 0.451 | C | S | . | . | trans | -68.4 | 121.9 | -174 | -162.1 | 75.4 | 0 | 0 | 0 | 111 | R169 A171 L181 Q182 Q183 G184 D185 I187 | L167-R169 WeakPolarHBondContact CD2-O 3.48Å; L167-R169 WeakPolarHBondContact CG-O 3.49Å; L167-A171 HydrophobicContact CD1-CB 3.73Å; L167-A171 HydrophobicContact CD2-CB 3.74Å; L167-A171 HydrophobicContact CG-CB 4.26Å; L167-L181 HydrophobicContact CD2-CB 3.99Å; L167-L181 WeakPolarHBondContact CD2-O 3.38Å; L167-Q182 WeakPolarHBondContact CD2-O 3.38Å; L167-Q183 WeakPolarHBondContact O-CA 3.18Å; L167-G184 PolarHBondContact O-N 3.45Å; L167-D185 PolarHBondContact N-O 3.16Å; L167-I187 HydrophobicContact CB-CG1 4.45Å; L167-I187 HydrophobicContact CB-CG2 4.2Å; L167-I187 HydrophobicContact CD1-CD1 3.66Å; L167-I187 HydrophobicContact CD1-CG1 4.41Å; L167-I187 HydrophobicContact CD1-CG2 4.39Å | ||
| 168 | A | 93.3 | Very high | 92.7 | Very high | 82 Ų | 82 | 84 Ų | 84 | 68% | 0.678 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -79.5 | -19.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | V166 Q183 | V166-A168 PolarHBondContact O-N 3.19Å; A168-Q183 WeakPolarHBondContact O-CG 3.26Å; A168-Q183 PolarHBondContact O-NE2 3.43Å |
| 169 | R | 93.3 | Very high | 93.4 | Very high | 199 Ų | 199 | 84.2 Ų | 84.2 | 75% | 0.751 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -159.6 | 153.6 | 179.1 | 63.3 | -175.9 | -179.4 | -145.8 | -0 | 108.6 | L167 A171 | L167-R169 WeakPolarHBondContact CD2-O 3.48Å; L167-R169 WeakPolarHBondContact CG-O 3.49Å; R169-A171 PolarHBondContact O-N 3.49Å |
| 170 | D | 93.8 | Very high | 94.2 | Very high | 110 Ų | 110 | 81.8 Ų | 81.8 | 59% | 0.588 | 45% | 0.451 | S | S | * | . | trans | -52 | 137 | 179.3 | -51.2 | -16.9 | 0 | 0 | 0 | 111.6 | L181 Q182 Q183 | D170-L181 CarbonylContact C-O 3.58Å; D170-L181 VanDerWaalsContact CA-O 3.27Å; D170-L181 WeakPolarHBondContact CA-O 3.48Å; D170-Q182 WeakPolarHBondContact OD1-CA 3.26Å; D170-Q183 PolarHBondContact OD1-N 3.39Å | ||
| 171 | A | 88.8 | Confident | 94.7 | Very high | 36 Ų | 36 | 79.1 Ų | 79.1 | 30% | 0.298 | 44% | 0.437 | S | S | . | . | trans | -136.5 | 67.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L167 R169 L181 | L167-A171 HydrophobicContact CD1-CB 3.73Å; L167-A171 HydrophobicContact CD2-CB 3.74Å; L167-A171 HydrophobicContact CG-CB 4.26Å; R169-A171 PolarHBondContact O-N 3.49Å; A171-L181 HydrophobicContact CB-CB 4.42Å; A171-L181 PolarHBondContact N-O 2.93Å; A171-L181 WeakPolarHBondContact O-CB 3.41Å; A171-L181 WeakPolarHBondContact O-CD1 3.23Å | ||
| 172 | G | 93.8 | Very high | 95.1 | Very high | 60 Ų | 60 | 79.8 Ų | 79.8 | 62% | 0.619 | 43% | 0.431 | S | S | * | . | S | Bend | trans | 60.1 | -143.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E180 L181 | G172-E180 WeakPolarHBondContact O-CA 3.47Å; G172-L181 PolarHBondContact O-N 3.09Å |
| 173 | E | 96.4 | Very high | 95.2 | Very high | 123 Ų | 123 | 84.3 Ų | 84.3 | 58% | 0.575 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 145.5 | -177.6 | 65.8 | -173.7 | 175.4 | 0 | 0 | 111.8 | V175 E179 | E173-V175 PolarHBondContact O-N 3.46Å; E173-E179 CarbonylContact C-O 3.36Å; E173-E179 WeakPolarHBondContact CA-O 3.46Å |
| 174 | C | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 81.4 Ų | 81.4 | 0% | 0 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 112.1 | 170.5 | -177.5 | 0 | 0 | 0 | 0 | 109.3 | I176 C177 L178 E179 L181 H197 | C174-I176 PolarHBondContact O-N 2.92Å; C174-C177 PolarHBondContact O-N 3.21Å; C174-L178 VanDerWaalsContact O-CA 3.23Å; C174-L178 WeakPolarHBondContact O-CA 3.35Å; C174-L178 PolarHBondContact O-N 3.46Å; C174-E179 PolarHBondContact N-O 2.91Å; C174-L181 HydrophobicContact CB-CD1 4.24Å; C174-L181 HydrophobicContact CB-CD2 4.18Å; C174-L181 HydrophobicContact CB-CG 4.03Å; C174-H197 WeakPolarHBondContact CB-ND1 3.5Å |
| 175 | V | 96.2 | Very high | 95.3 | Very high | 61 Ų | 61 | 79.4 Ų | 79.4 | 37% | 0.37 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -9.7 | -177 | -49.1 | 0 | 0 | 0 | 0 | 115 | E173 Y196 | E173-V175 PolarHBondContact O-N 3.46Å; V175-Y196 HydrophobicContact CG2-CD1 4.09Å; V175-Y196 HydrophobicContact CG2-CE1 3.48Å; V175-Y196 VanDerWaalsContact CG2-CE1 3.48Å |
| 176 | I | 95.9 | Very high | 95.5 | Very high | 56 Ų | 56 | 80.1 Ų | 80.1 | 29% | 0.287 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -49.2 | -179.7 | -57.4 | 173.7 | 0 | 0 | 0 | 110.8 | C174 Y196 C200 I201 W204 P212 | C174-I176 PolarHBondContact O-N 2.92Å; I176-Y196 HydrophobicContact CD1-CD1 3.88Å; I176-Y196 HydrophobicContact CD1-CD2 4.5Å; I176-Y196 HydrophobicContact CD1-CG 3.86Å; I176-Y196 HydrophobicContact CG1-CD1 4.04Å; I176-C200 HydrophobicContact CB-CB 3.85Å; I176-C200 HydrophobicContact CD1-CB 3.89Å; I176-C200 HydrophobicContact CG1-CB 4.45Å; I176-C200 HydrophobicContact CG2-CB 3.8Å; I176-I201 HydrophobicContact CD1-CD1 4.31Å; I176-W204 HydrophobicContact CD1-CB 4.31Å; I176-P212 HydrophobicContact CD1-CG 4.22Å; I176-P212 HydrophobicContact CG1-CG 4.33Å |
| 177 | C | 96.9 | Very high | 95.6 | Very high | 45 Ų | 45 | 75.4 Ų | 75.4 | 30% | 0.304 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -10.4 | 178.5 | 61.2 | 0 | 0 | 0 | 0 | 114 | C174 E179 H197 | C174-C177 PolarHBondContact O-N 3.21Å; C177-E179 HydrophobicContact CB-CG 4.37Å; C177-E179 PolarHBondContact O-N 2.85Å; C177-H197 PolarHBondContact SG-ND1 3.46Å |
| 178 | L | 96.7 | Very high | 95.7 | Very high | 124 Ų | 124 | 74.9 Ų | 74.9 | 65% | 0.649 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 24.6 | -175.7 | -48.2 | 177.8 | 0 | 0 | 0 | 113.9 | C174 | C174-L178 VanDerWaalsContact O-CA 3.23Å; C174-L178 WeakPolarHBondContact O-CA 3.35Å; C174-L178 PolarHBondContact O-N 3.46Å |
| 179 | E | 97.3 | Very high | 95.8 | Very high | 127 Ų | 127 | 74.6 Ų | 74.6 | 59% | 0.593 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 152.2 | 174.5 | -62.4 | 176.6 | 160.1 | 0 | 0 | 110.6 | E173 C174 C177 | E173-E179 CarbonylContact C-O 3.36Å; E173-E179 WeakPolarHBondContact CA-O 3.46Å; C174-E179 PolarHBondContact N-O 2.91Å; C177-E179 HydrophobicContact CB-CG 4.37Å; C177-E179 PolarHBondContact O-N 2.85Å |
| 180 | E | 97.1 | Very high | 95.9 | Very high | 139 Ų | 139 | 65.3 Ų | 65.3 | 65% | 0.65 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 135.3 | 176.6 | -67.3 | -179.1 | 161.4 | 0 | 0 | 111.2 | G172 Q182 | G172-E180 WeakPolarHBondContact O-CA 3.47Å; E180-Q182 HydrophobicContact CB-CG 4.35Å; E180-Q182 PolarHBondContact O-N 3.21Å |
| 181 | L | 97.3 | Very high | 95.9 | Very high | 3 Ų | 3 | 64.4 Ų | 64.4 | 2% | 0.016 | 36% | 0.36 | C | S | . | . | trans | -85.4 | 106.6 | 172.7 | -74.6 | 161.5 | 0 | 0 | 0 | 108.7 | L167 D170 A171 G172 C174 I187 I195 H197 | L167-L181 HydrophobicContact CD2-CB 3.99Å; L167-L181 WeakPolarHBondContact CD2-O 3.38Å; D170-L181 CarbonylContact C-O 3.58Å; D170-L181 VanDerWaalsContact CA-O 3.27Å; D170-L181 WeakPolarHBondContact CA-O 3.48Å; A171-L181 HydrophobicContact CB-CB 4.42Å; A171-L181 PolarHBondContact N-O 2.93Å; A171-L181 WeakPolarHBondContact O-CB 3.41Å; A171-L181 WeakPolarHBondContact O-CD1 3.23Å; G172-L181 PolarHBondContact O-N 3.09Å; C174-L181 HydrophobicContact CB-CD1 4.24Å; C174-L181 HydrophobicContact CB-CD2 4.18Å; C174-L181 HydrophobicContact CB-CG 4.03Å; L181-I187 HydrophobicContact CD2-CG2 3.78Å; L181-I195 HydrophobicContact CD1-CG2 4.2Å; L181-H197 WeakPolarHBondContact CD2-NE2 3.33Å | ||
| 182 | Q | 96.7 | Very high | 96.2 | Very high | 99 Ų | 99 | 65.1 Ų | 65.1 | 46% | 0.463 | 36% | 0.362 | S | S | . | . | trans | -100.7 | 155.5 | -173.4 | -63.8 | -173.7 | -14.6 | 0 | 0 | 112.5 | L167 D170 E180 G184 D185 | L167-Q182 WeakPolarHBondContact CD2-O 3.38Å; D170-Q182 WeakPolarHBondContact OD1-CA 3.26Å; E180-Q182 HydrophobicContact CB-CG 4.35Å; E180-Q182 PolarHBondContact O-N 3.21Å; Q182-G184 PolarHBondContact O-N 3.39Å; Q182-D185 PolarHBondContact N-OD2 2.71Å; Q182-D185 VanDerWaalsContact O-CB 3.31Å; Q182-D185 WeakPolarHBondContact O-CB 3.25Å; Q182-D185 VanDerWaalsContact O-CG 3.31Å; Q182-D185 PolarHBondContact O-N 3.36Å | ||
| 183 | Q | 96.7 | Very high | 96.2 | Very high | 136 Ų | 136 | 68.1 Ų | 68.1 | 64% | 0.636 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 128.4 | 174.6 | -178.9 | 176.1 | 7.2 | 0 | 0 | 110.8 | L167 A168 D170 | L167-Q183 WeakPolarHBondContact O-CA 3.18Å; A168-Q183 WeakPolarHBondContact O-CG 3.26Å; A168-Q183 PolarHBondContact O-NE2 3.43Å; D170-Q183 PolarHBondContact OD1-N 3.39Å |
| 184 | G | 95.2 | Very high | 96.1 | Very high | 44 Ų | 44 | 62.8 Ų | 62.8 | 45% | 0.454 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.9 | -9.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L167 Q182 | L167-G184 PolarHBondContact O-N 3.45Å; Q182-G184 PolarHBondContact O-N 3.39Å |
| 185 | D | 96.5 | Very high | 96 | Very high | 49 Ų | 49 | 64.5 Ų | 64.5 | 26% | 0.262 | 35% | 0.349 | S | S | . | . | trans | -68.6 | 145.3 | 177.3 | -71.9 | -22 | 0 | 0 | 0 | 112.3 | V166 L167 Q182 I187 H197 | V166-D185 WeakPolarHBondContact CA-O 3.26Å; L167-D185 PolarHBondContact N-O 3.16Å; Q182-D185 PolarHBondContact N-OD2 2.71Å; Q182-D185 VanDerWaalsContact O-CB 3.31Å; Q182-D185 WeakPolarHBondContact O-CB 3.25Å; Q182-D185 VanDerWaalsContact O-CG 3.31Å; Q182-D185 PolarHBondContact O-N 3.36Å; D185-I187 HydrophobicContact CB-CG2 4.36Å; D185-I187 PolarHBondContact O-N 2.91Å; D185-H197 IonicContact OD2-NE2 3.69Å | ||
| 186 | T | 96.9 | Very high | 96.1 | Very high | 79 Ų | 79 | 61.7 Ų | 61.7 | 49% | 0.485 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 108.4 | 172.8 | -53.2 | 0 | 0 | 0 | 0 | 109.3 | K198 | T186-K198 HydrophobicContact CG2-CB 4.06Å; T186-K198 HydrophobicContact CG2-CD 3.88Å; T186-K198 PolarHBondContact O-N 3.16Å; T186-K198 VanDerWaalsContact O-N 3.11Å |
| 187 | I | 97.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 156.5 | -175.2 | 58.1 | 149.4 | 0 | 0 | 0 | 111.2 | D165 L167 L181 D185 I195 Y196 | D165-I187 HydrophobicContact CB-CD1 3.88Å; D165-I187 HydrophobicContact CB-CG1 3.81Å; D165-I187 PolarHBondContact N-O 3.21Å; D165-I187 VanDerWaalsContact O-CG1 3.25Å; D165-I187 WeakPolarHBondContact O-CG1 3.42Å; D165-I187 PolarHBondContact O-N 3.44Å; L167-I187 HydrophobicContact CB-CG1 4.45Å; L167-I187 HydrophobicContact CB-CG2 4.2Å; L167-I187 HydrophobicContact CD1-CD1 3.66Å; L167-I187 HydrophobicContact CD1-CG1 4.41Å; L167-I187 HydrophobicContact CD1-CG2 4.39Å; L181-I187 HydrophobicContact CD2-CG2 3.78Å; D185-I187 HydrophobicContact CB-CG2 4.36Å; D185-I187 PolarHBondContact O-N 2.91Å; I187-I195 HydrophobicContact CB-CG2 3.84Å; I187-I195 HydrophobicContact CD1-CG2 3.53Å; I187-I195 HydrophobicContact CG1-CG2 4.29Å; I187-I195 HydrophobicContact CG2-CG2 4.02Å; I187-Y196 CarbonylContact C-O 3.58Å; I187-Y196 VanDerWaalsContact CA-O 3.3Å; I187-Y196 WeakPolarHBondContact CA-O 3.34Å; I187-Y196 WeakPolarHBondContact CB-O 3.48Å |
| 188 | A | 96.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 121.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y162 N163 Y196 I201 | Y162-A188 HydrophobicContact CD1-CB 4.02Å; Y162-A188 HydrophobicContact CD2-CB 3.53Å; Y162-A188 HydrophobicContact CE1-CB 4.31Å; Y162-A188 HydrophobicContact CE2-CB 3.89Å; Y162-A188 HydrophobicContact CG-CB 3.62Å; N163-A188 WeakPolarHBondContact O-CA 3.22Å; A188-Y196 PolarHBondContact N-O 3.03Å; A188-Y196 PolarHBondContact O-N 3.41Å; A188-Y196 VanDerWaalsContact O-N 3.15Å; A188-I201 HydrophobicContact CB-CB 4.41Å; A188-I201 HydrophobicContact CB-CG2 3.37Å |
| 189 | R | 96.3 | Very high | 96.2 | Very high | 76 Ų | 76 | 58.7 Ų | 58.7 | 29% | 0.287 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 115.3 | 175.9 | -172.4 | -178.7 | -63.6 | -89.9 | -3.4 | 110.2 | Y162 N163 D165 | Y162-R189 CarbonylContact C-O 3.54Å; Y162-R189 VanDerWaalsContact CA-O 3.32Å; Y162-R189 WeakPolarHBondContact CA-O 3.48Å; Y162-R189 WeakPolarHBondContact CB-O 3.41Å; N163-R189 PolarHBondContact N-O 3.23Å; N163-R189 PolarHBondContact O-N 2.96Å; D165-R189 IonicContact OD2-NE 3.55Å |
| 190 | L | 95.4 | Very high | 96.2 | Very high | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | trans | -76.3 | 164.7 | 178.2 | -82.3 | 67.4 | 0 | 0 | 0 | 111.4 | L160 C192 L193 C194 Y196 I201 F205 C211 | L160-L190 HydrophobicContact CD2-CD2 3.85Å; L160-L190 HydrophobicContact CD2-CG 4.46Å; L190-C192 PolarHBondContact O-N 3.41Å; L190-L193 WeakPolarHBondContact O-CA 3.2Å; L190-L193 PolarHBondContact O-N 3.34Å; L190-C194 PolarHBondContact N-O 2.78Å; L190-Y196 HydrophobicContact CD1-CD2 3.82Å; L190-Y196 HydrophobicContact CD1-CE2 3.97Å; L190-Y196 HydrophobicContact CD2-CE2 4.19Å; L190-I201 HydrophobicContact CD1-CD1 4.15Å; L190-I201 HydrophobicContact CD1-CG1 4.03Å; L190-I201 HydrophobicContact CD2-CD1 4.41Å; L190-F205 HydrophobicContact CD2-CZ 4.25Å; L190-C211 HydrophobicContact CD2-CB 3.69Å | ||
| 191 | P | 93.4 | Very high | 96.1 | Very high | 91 Ų | 91 | 46.9 Ų | 46.9 | 59% | 0.591 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -25.2 | 176.5 | -22.4 | 34.9 | 0 | 0 | 0 | 113.5 | L160 S161 L193 | L160-P191 HydrophobicContact CD1-CG 4.39Å; S161-P191 VanDerWaalsContact O-CD 3.24Å; S161-P191 WeakPolarHBondContact O-CD 3.13Å; S161-P191 WeakPolarHBondContact O-CG 3.28Å; P191-L193 PolarHBondContact O-N 3.45Å |
| 192 | C | 94.6 | Very high | 95.9 | Very high | 52 Ų | 52 | 49.7 Ų | 49.7 | 35% | 0.351 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 6.9 | 171.4 | 60.9 | 0 | 0 | 0 | 0 | 113.5 | L190 C194 C211 | L190-C192 PolarHBondContact O-N 3.41Å; C192-C194 PolarHBondContact O-N 3.46Å; C192-C211 PolarHBondContact SG-SG 3.24Å |
| 193 | L | 93.5 | Very high | 95.8 | Very high | 122 Ų | 122 | 48.1 Ų | 48.1 | 64% | 0.639 | 28% | 0.278 | S | S | * | . | trans | 68.5 | 1.5 | 179.4 | -51.9 | 177 | 0 | 0 | 0 | 116.3 | L190 P191 | L190-L193 WeakPolarHBondContact O-CA 3.2Å; L190-L193 PolarHBondContact O-N 3.34Å; P191-L193 PolarHBondContact O-N 3.45Å | ||
| 194 | C | 95.2 | Very high | 95.6 | Very high | 11 Ų | 11 | 45.7 Ų | 45.7 | 7% | 0.074 | 26% | 0.263 | C | S | . | . | trans | -62.3 | 142 | 168.7 | -62.4 | 0 | 0 | 0 | 0 | 111.1 | L190 C192 Y196 C211 E213 H214 | L190-C194 PolarHBondContact N-O 2.78Å; C192-C194 PolarHBondContact O-N 3.46Å; C194-Y196 HydrophobicContact CB-CE2 3.63Å; C194-Y196 VanDerWaalsContact CB-OH 3.25Å; C194-Y196 WeakPolarHBondContact CB-OH 3.36Å; C194-C211 VanDerWaalsContact SG-SG 3.64Å; C194-E213 PolarHBondContact SG-OE2 3.05Å; C194-H214 PolarHBondContact SG-CE1 2.81Å; C194-H214 PolarHBondContact SG-ND1 3.33Å | ||
| 195 | I | 95.8 | Very high | 95.4 | Very high | 37 Ų | 37 | 45 Ų | 45 | 19% | 0.19 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 132.2 | -175.4 | -52.7 | 172.1 | 0 | 0 | 0 | 108.4 | L181 I187 | L181-I195 HydrophobicContact CD1-CG2 4.2Å; I187-I195 HydrophobicContact CB-CG2 3.84Å; I187-I195 HydrophobicContact CD1-CG2 3.53Å; I187-I195 HydrophobicContact CG1-CG2 4.29Å; I187-I195 HydrophobicContact CG2-CG2 4.02Å |
| 196 | Y | 97.4 | Very high | 95 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 164.2 | 173.7 | -49.5 | -71.2 | 0 | 0 | 0 | 109.7 | V175 I176 I187 A188 L190 C194 I201 C211 P212 E213 | V175-Y196 HydrophobicContact CG2-CD1 4.09Å; V175-Y196 HydrophobicContact CG2-CE1 3.48Å; V175-Y196 VanDerWaalsContact CG2-CE1 3.48Å; I176-Y196 HydrophobicContact CD1-CD1 3.88Å; I176-Y196 HydrophobicContact CD1-CD2 4.5Å; I176-Y196 HydrophobicContact CD1-CG 3.86Å; I176-Y196 HydrophobicContact CG1-CD1 4.04Å; I187-Y196 CarbonylContact C-O 3.58Å; I187-Y196 VanDerWaalsContact CA-O 3.3Å; I187-Y196 WeakPolarHBondContact CA-O 3.34Å; I187-Y196 WeakPolarHBondContact CB-O 3.48Å; A188-Y196 PolarHBondContact N-O 3.03Å; A188-Y196 PolarHBondContact O-N 3.41Å; A188-Y196 VanDerWaalsContact O-N 3.15Å; L190-Y196 HydrophobicContact CD1-CD2 3.82Å; L190-Y196 HydrophobicContact CD1-CE2 3.97Å; L190-Y196 HydrophobicContact CD2-CE2 4.19Å; C194-Y196 HydrophobicContact CB-CE2 3.63Å; C194-Y196 VanDerWaalsContact CB-OH 3.25Å; C194-Y196 WeakPolarHBondContact CB-OH 3.36Å; Y196-I201 HydrophobicContact CD2-CB 4.45Å; Y196-I201 HydrophobicContact CD2-CD1 3.73Å; Y196-I201 HydrophobicContact CD2-CG1 4.33Å; Y196-I201 HydrophobicContact CE2-CD1 4.1Å; Y196-I201 HydrophobicContact CG-CD1 4.46Å; Y196-C211 PolarHBondContact OH-SG 2.76Å; Y196-C211 VanDerWaalsContact OH-SG 3.39Å; Y196-P212 HydrophobicContact CE1-CG 4.35Å; Y196-P212 HydrophobicContact CE2-CG 4.3Å; Y196-E213 PolarHBondContact OH-OE2 3.13Å |
| 197 | H | 97.9 | Very high | 94.4 | Very high | 22 Ų | 22 | 51.9 Ų | 51.9 | 10% | 0.102 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 141 | 163.6 | -64.1 | 120.1 | 0 | 0 | 0 | 109.9 | C174 C177 L181 D185 S199 C200 I201 | C174-H197 WeakPolarHBondContact CB-ND1 3.5Å; C177-H197 PolarHBondContact SG-ND1 3.46Å; L181-H197 WeakPolarHBondContact CD2-NE2 3.33Å; D185-H197 IonicContact OD2-NE2 3.69Å; H197-S199 VanDerWaalsContact C-N 3.31Å; H197-S199 PolarHBondContact O-N 3.24Å; H197-C200 HydrophobicContact CB-CB 3.99Å; H197-C200 WeakPolarHBondContact O-CB 3.45Å; H197-C200 PolarHBondContact O-N 3.49Å; H197-C200 VanDerWaalsContact O-N 3.13Å; H197-I201 PolarHBondContact O-N 3.19Å |
| 198 | K | 96.6 | Very high | 93.9 | Very high | 62 Ų | 62 | 54.1 Ų | 54.1 | 27% | 0.27 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -53.4 | -48.5 | 177.9 | -179.7 | -179.7 | 176.4 | 57.9 | 0 | 112 | Y162 D164 T186 C200 I201 D202 | Y162-K198 PolarHBondContact OH-NZ 2.88Å; D164-K198 VanDerWaalsContact OD1-CD 3.28Å; D164-K198 WeakPolarHBondContact OD1-CD 3.27Å; D164-K198 WeakPolarHBondContact OD1-CE 3.24Å; D164-K198 IonicContact OD1-NZ 3.81Å; D164-K198 PolarHBondContact OD1-NZ 3.34Å; D164-K198 IonicContact OD2-NZ 2.72Å; T186-K198 HydrophobicContact CG2-CB 4.06Å; T186-K198 HydrophobicContact CG2-CD 3.88Å; T186-K198 PolarHBondContact O-N 3.16Å; T186-K198 VanDerWaalsContact O-N 3.11Å; K198-C200 VanDerWaalsContact C-N 3.33Å; K198-C200 PolarHBondContact O-N 2.88Å; K198-I201 VanDerWaalsContact O-CG2 3.27Å; K198-I201 WeakPolarHBondContact O-CG2 3.21Å; K198-I201 PolarHBondContact O-N 3.39Å; K198-D202 IonicContact NZ-OD2 3.74Å; K198-D202 WeakPolarHBondContact O-CB 3.13Å; K198-D202 PolarHBondContact O-N 3.16Å |
| 199 | S | 96.4 | Very high | 93.4 | Very high | 79 Ų | 79 | 58.2 Ų | 58.2 | 55% | 0.552 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -60.7 | -39.6 | 178.6 | 51.4 | 0 | 0 | 0 | 0 | 113.1 | H197 S203 | H197-S199 VanDerWaalsContact C-N 3.31Å; H197-S199 PolarHBondContact O-N 3.24Å; S199-S203 PolarHBondContact O-N 3.11Å; S199-S203 VanDerWaalsContact O-N 3.15Å; S199-S203 PolarHBondContact O-OG 3.4Å |
| 200 | C | 97.1 | Very high | 93.1 | Very high | 17 Ų | 17 | 55.1 Ų | 55.1 | 12% | 0.115 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.8 | -46.5 | 179.8 | -68.3 | 0 | 0 | 0 | 0 | 112 | I176 H197 K198 D202 S203 W204 | I176-C200 HydrophobicContact CB-CB 3.85Å; I176-C200 HydrophobicContact CD1-CB 3.89Å; I176-C200 HydrophobicContact CG1-CB 4.45Å; I176-C200 HydrophobicContact CG2-CB 3.8Å; H197-C200 HydrophobicContact CB-CB 3.99Å; H197-C200 WeakPolarHBondContact O-CB 3.45Å; H197-C200 PolarHBondContact O-N 3.49Å; H197-C200 VanDerWaalsContact O-N 3.13Å; K198-C200 VanDerWaalsContact C-N 3.33Å; K198-C200 PolarHBondContact O-N 2.88Å; C200-D202 VanDerWaalsContact C-N 3.35Å; C200-S203 PolarHBondContact O-N 3.44Å; C200-W204 PolarHBondContact O-N 3.4Å |
| 201 | I | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.7 | -35.1 | 179.7 | -164.9 | 65.8 | 0 | 0 | 0 | 112.2 | Y162 I176 A188 L190 Y196 H197 K198 S203 W204 F205 | Y162-I201 HydrophobicContact CD1-CG2 3.97Å; Y162-I201 HydrophobicContact CE1-CG2 3.7Å; I176-I201 HydrophobicContact CD1-CD1 4.31Å; A188-I201 HydrophobicContact CB-CB 4.41Å; A188-I201 HydrophobicContact CB-CG2 3.37Å; L190-I201 HydrophobicContact CD1-CD1 4.15Å; L190-I201 HydrophobicContact CD1-CG1 4.03Å; L190-I201 HydrophobicContact CD2-CD1 4.41Å; Y196-I201 HydrophobicContact CD2-CB 4.45Å; Y196-I201 HydrophobicContact CD2-CD1 3.73Å; Y196-I201 HydrophobicContact CD2-CG1 4.33Å; Y196-I201 HydrophobicContact CE2-CD1 4.1Å; Y196-I201 HydrophobicContact CG-CD1 4.46Å; H197-I201 PolarHBondContact O-N 3.19Å; K198-I201 VanDerWaalsContact O-CG2 3.27Å; K198-I201 WeakPolarHBondContact O-CG2 3.21Å; K198-I201 PolarHBondContact O-N 3.39Å; I201-S203 VanDerWaalsContact C-N 3.34Å; I201-S203 PolarHBondContact O-N 3.37Å; I201-W204 HydrophobicContact CD1-CB 4.39Å; I201-W204 WeakPolarHBondContact O-CB 3.2Å; I201-W204 PolarHBondContact O-N 2.76Å; I201-F205 HydrophobicContact CD1-CD1 4.13Å; I201-F205 HydrophobicContact CD1-CE1 3.57Å; I201-F205 HydrophobicContact CD1-CZ 3.82Å; I201-F205 HydrophobicContact CG1-CD1 4.24Å; I201-F205 HydrophobicContact CG1-CD2 4.33Å; I201-F205 HydrophobicContact CG1-CE1 3.8Å; I201-F205 HydrophobicContact CG1-CE2 3.92Å; I201-F205 HydrophobicContact CG1-CG 4.48Å; I201-F205 HydrophobicContact CG1-CZ 3.61Å; I201-F205 WeakPolarHBondContact O-CG 3.13Å; I201-F205 PolarHBondContact O-N 3.21Å |
| 202 | D | 93.9 | Very high | 92.9 | Very high | 62 Ų | 62 | 52.7 Ų | 52.7 | 33% | 0.332 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 177.4 | -75.3 | -23.2 | 0 | 0 | 0 | 110.3 | Y162 K198 C200 W204 F205 E206 | Y162-D202 WeakPolarHBondContact CE1-OD1 3.48Å; Y162-D202 PolarHBondContact OH-OD1 2.79Å; Y162-D202 PolarHBondContact OH-OD2 3.32Å; K198-D202 IonicContact NZ-OD2 3.74Å; K198-D202 WeakPolarHBondContact O-CB 3.13Å; K198-D202 PolarHBondContact O-N 3.16Å; C200-D202 VanDerWaalsContact C-N 3.35Å; D202-W204 VanDerWaalsContact C-N 3.32Å; D202-W204 PolarHBondContact O-N 3.26Å; D202-F205 PolarHBondContact O-N 3.23Å; D202-E206 PolarHBondContact O-N 2.9Å |
| 203 | S | 94.1 | Very high | 92.8 | Very high | 67 Ų | 67 | 55.4 Ų | 55.4 | 47% | 0.469 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.4 | -38.9 | 175.6 | -53.7 | 0 | 0 | 0 | 0 | 112 | S199 C200 I201 E206 | S199-S203 PolarHBondContact O-N 3.11Å; S199-S203 VanDerWaalsContact O-N 3.15Å; S199-S203 PolarHBondContact O-OG 3.4Å; C200-S203 PolarHBondContact O-N 3.44Å; I201-S203 VanDerWaalsContact C-N 3.34Å; I201-S203 PolarHBondContact O-N 3.37Å; S203-E206 WeakPolarHBondContact O-CB 3.13Å; S203-E206 PolarHBondContact O-N 3.47Å |
| 204 | W | 92.6 | Very high | 92.6 | Very high | 84 Ų | 84 | 54.2 Ų | 54.2 | 32% | 0.318 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 177.5 | -179.5 | -101.5 | 0 | 0 | 0 | 112.1 | I176 C200 I201 D202 E206 I207 N208 S210 P212 | I176-W204 HydrophobicContact CD1-CB 4.31Å; C200-W204 PolarHBondContact O-N 3.4Å; I201-W204 HydrophobicContact CD1-CB 4.39Å; I201-W204 WeakPolarHBondContact O-CB 3.2Å; I201-W204 PolarHBondContact O-N 2.76Å; D202-W204 VanDerWaalsContact C-N 3.32Å; D202-W204 PolarHBondContact O-N 3.26Å; W204-E206 PolarHBondContact O-N 2.93Å; W204-I207 PolarHBondContact O-N 2.96Å; W204-N208 HydrophobicContact CZ2-CB 4.34Å; W204-N208 PolarHBondContact NE1-O 3.34Å; W204-N208 PolarHBondContact O-N 2.99Å; W204-S210 PolarHBondContact NE1-O 3.06Å; W204-P212 HydrophobicContact CD2-CG 4.19Å; W204-P212 HydrophobicContact CG-CG 4.28Å; W204-P212 HydrophobicContact CZ2-CB 4.28Å; W204-P212 HydrophobicContact CZ2-CG 4.33Å |
| 205 | F | 90.9 | Very high | 92.1 | Very high | 29 Ų | 29 | 58.3 Ų | 58.3 | 13% | 0.127 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.3 | -13 | -180 | -74 | -5.8 | 0 | 0 | 0 | 114.8 | L160 Y162 L190 I201 D202 I207 N208 R209 | L160-F205 HydrophobicContact CB-CZ 4.45Å; L160-F205 HydrophobicContact CD2-CE1 4.02Å; L160-F205 HydrophobicContact CD2-CZ 3.69Å; L160-F205 HydrophobicContact CG-CZ 4.33Å; Y162-F205 AromaticContact CD1-CE2 3.83Å; Y162-F205 HydrophobicContact CD1-CE2 3.83Å; Y162-F205 HydrophobicContact CE1-CD2 4.47Å; Y162-F205 HydrophobicContact CE1-CE2 4.17Å; L190-F205 HydrophobicContact CD2-CZ 4.25Å; I201-F205 HydrophobicContact CD1-CD1 4.13Å; I201-F205 HydrophobicContact CD1-CE1 3.57Å; I201-F205 HydrophobicContact CD1-CZ 3.82Å; I201-F205 HydrophobicContact CG1-CD1 4.24Å; I201-F205 HydrophobicContact CG1-CD2 4.33Å; I201-F205 HydrophobicContact CG1-CE1 3.8Å; I201-F205 HydrophobicContact CG1-CE2 3.92Å; I201-F205 HydrophobicContact CG1-CG 4.48Å; I201-F205 HydrophobicContact CG1-CZ 3.61Å; I201-F205 WeakPolarHBondContact O-CG 3.13Å; I201-F205 PolarHBondContact O-N 3.21Å; D202-F205 PolarHBondContact O-N 3.23Å; F205-I207 VanDerWaalsContact C-N 3.29Å; F205-N208 WeakPolarHBondContact CD1-O 3.14Å; F205-R209 WeakPolarHBondContact O-CG 3.48Å |
| 206 | E | 87.4 | Confident | 90.7 | Very high | 157 Ų | 157 | 60.1 Ų | 60.1 | 73% | 0.734 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -68.1 | -32 | 168.6 | -61 | -173.3 | 170.2 | 0 | 0 | 112 | D202 S203 W204 | D202-E206 PolarHBondContact O-N 2.9Å; S203-E206 WeakPolarHBondContact O-CB 3.13Å; S203-E206 PolarHBondContact O-N 3.47Å; W204-E206 PolarHBondContact O-N 2.93Å |
| 207 | I | 85.1 | Confident | 88.7 | Confident | 117 Ų | 117 | 69.6 Ų | 69.6 | 60% | 0.6 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -100.7 | -49.1 | -175.9 | -54 | 170.4 | 0 | 0 | 0 | 110.2 | S139 W204 F205 | S139-I207 VanDerWaalsContact CB-O 3.28Å; S139-I207 WeakPolarHBondContact CB-O 3.43Å; S139-I207 PolarHBondContact OG-O 2.87Å; W204-I207 PolarHBondContact O-N 2.96Å; F205-I207 VanDerWaalsContact C-N 3.29Å |
| 208 | N | 85.9 | Confident | 88.2 | Confident | 48 Ų | 48 | 72 Ų | 72 | 26% | 0.257 | 38% | 0.382 | S | S | . | . | trans | -140.3 | 119.4 | -177.3 | -171 | 2 | 0 | 0 | 0 | 111 | W204 F205 S210 | W204-N208 HydrophobicContact CZ2-CB 4.34Å; W204-N208 PolarHBondContact NE1-O 3.34Å; W204-N208 PolarHBondContact O-N 2.99Å; F205-N208 WeakPolarHBondContact CD1-O 3.14Å; N208-S210 PolarHBondContact ND2-OG 3.26Å; N208-S210 VanDerWaalsContact ND2-OG 3.11Å; N208-S210 PolarHBondContact O-N 3.21Å; N208-S210 VanDerWaalsContact O-N 3.09Å; N208-S210 PolarHBondContact OD1-N 3.4Å; N208-S210 PolarHBondContact OD1-OG 3.16Å | ||
| 209 | R | 86.6 | Confident | 87.8 | Confident | 86 Ų | 86 | 72.5 Ų | 72.5 | 33% | 0.325 | 39% | 0.387 | S | S | . | . | trans | -85.4 | 36.2 | -178.6 | -62.8 | -171.2 | -177.6 | 151.6 | 9.8 | 113.3 | V137 F205 | V137-R209 VanDerWaalsContact O-CD 3.26Å; V137-R209 WeakPolarHBondContact O-CD 3.46Å; V137-R209 PolarHBondContact O-NE 2.9Å; V137-R209 PolarHBondContact O-NH1 2.74Å; F205-R209 WeakPolarHBondContact O-CG 3.48Å | ||
| 210 | S | 89.2 | Confident | 87.3 | Confident | 10 Ų | 10 | 72.1 Ų | 72.1 | 7% | 0.07 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -120.9 | 157.6 | 176 | 72.1 | 0 | 0 | 0 | 0 | 110.6 | W204 N208 | W204-S210 PolarHBondContact NE1-O 3.06Å; N208-S210 PolarHBondContact ND2-OG 3.26Å; N208-S210 VanDerWaalsContact ND2-OG 3.11Å; N208-S210 PolarHBondContact O-N 3.21Å; N208-S210 VanDerWaalsContact O-N 3.09Å; N208-S210 PolarHBondContact OD1-N 3.4Å; N208-S210 PolarHBondContact OD1-OG 3.16Å |
| 211 | C | 93.3 | Very high | 86.7 | Confident | 5 Ų | 5 | 75.4 Ų | 75.4 | 3% | 0.034 | 39% | 0.394 | C | S | . | . | trans | -60.1 | 134.7 | 168.4 | 176.4 | 0 | 0 | 0 | 0 | 109.5 | L190 C192 C194 Y196 E213 H214 | L190-C211 HydrophobicContact CD2-CB 3.69Å; C192-C211 PolarHBondContact SG-SG 3.24Å; C194-C211 VanDerWaalsContact SG-SG 3.64Å; Y196-C211 PolarHBondContact OH-SG 2.76Å; Y196-C211 VanDerWaalsContact OH-SG 3.39Å; C211-E213 VanDerWaalsContact C-N 3.27Å; C211-E213 PolarHBondContact O-N 3.24Å; C211-E213 PolarHBondContact SG-N 3.07Å; C211-H214 HydrophobicContact CB-CB 4Å; C211-H214 CarbonylContact O-C 3.36Å; C211-H214 PolarHBondContact O-N 3.02Å; C211-H214 PolarHBondContact SG-N 2.73Å; C211-H214 VanDerWaalsContact SG-N 3.43Å | ||
| 212 | P | 92.6 | Very high | 86.2 | Confident | 39 Ų | 39 | 80.1 Ų | 80.1 | 25% | 0.253 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -57.6 | -37.4 | 174.6 | -24.2 | 30.9 | 0 | 0 | 0 | 113.6 | I176 Y196 W204 | I176-P212 HydrophobicContact CD1-CG 4.22Å; I176-P212 HydrophobicContact CG1-CG 4.33Å; Y196-P212 HydrophobicContact CE1-CG 4.35Å; Y196-P212 HydrophobicContact CE2-CG 4.3Å; W204-P212 HydrophobicContact CD2-CG 4.19Å; W204-P212 HydrophobicContact CG-CG 4.28Å; W204-P212 HydrophobicContact CZ2-CB 4.28Å; W204-P212 HydrophobicContact CZ2-CG 4.33Å |
| 213 | E | 92.1 | Very high | 85.7 | Confident | 108 Ų | 108 | 81.3 Ų | 81.3 | 51% | 0.505 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -89.6 | -23.6 | -178 | -63.8 | -170.6 | 107.4 | 0 | 0 | 113.3 | C194 Y196 C211 | C194-E213 PolarHBondContact SG-OE2 3.05Å; Y196-E213 PolarHBondContact OH-OE2 3.13Å; C211-E213 VanDerWaalsContact C-N 3.27Å; C211-E213 PolarHBondContact O-N 3.24Å; C211-E213 PolarHBondContact SG-N 3.07Å |
| 214 | H | 90.3 | Very high | 85.1 | Confident | 98 Ų | 98 | 82.3 Ų | 82.3 | 45% | 0.454 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -128.1 | 73.7 | -178.3 | -53.2 | 99 | 0 | 0 | 0 | 109.9 | C194 C211 S216 | C194-H214 PolarHBondContact SG-CE1 2.81Å; C194-H214 PolarHBondContact SG-ND1 3.33Å; C211-H214 HydrophobicContact CB-CB 4Å; C211-H214 CarbonylContact O-C 3.36Å; C211-H214 PolarHBondContact O-N 3.02Å; C211-H214 PolarHBondContact SG-N 2.73Å; C211-H214 VanDerWaalsContact SG-N 3.43Å; H214-S216 PolarHBondContact O-N 3.32Å; H214-S216 VanDerWaalsContact O-N 3.16Å |
| 215 | P | 83.1 | Confident | 84.5 | Confident | 97 Ų | 97 | 82.2 Ų | 82.2 | 63% | 0.63 | 43% | 0.429 | S | S | * | . | trans | -61.4 | 121.8 | 176.8 | 26 | -33 | 0 | 0 | 0 | 109.1 | D217 | P215-D217 PolarHBondContact O-N 3.34Š| ||
| 216 | S | 67.4 | Low | 84 | Confident | 75 Ų | 75 | 86.6 Ų | 86.6 | 52% | 0.524 | 45% | 0.454 | S | S | . | . | trans | -74.2 | 115.9 | 172.6 | -56.5 | 0 | 0 | 0 | 0 | 108.9 | H214 | H214-S216 PolarHBondContact O-N 3.32Å; H214-S216 VanDerWaalsContact O-N 3.16Å | ||
| 217 | D | 54.6 | Low | 83.6 | Confident | 199 Ų | 199 | 80.2 Ų | 80.2 | 100% | 1.064 | 43% | 0.429 | S | S | * | . | trans | -50.3 | 0 | 170.1 | -164.1 | -121.4 | 0 | 0 | 0 | 111.4 | K157 P215 | K157-D217 PolarHBondContact NZ-O 2.81Å; K157-D217 PolarHBondContact NZ-OXT 3.37Å; P215-D217 PolarHBondContact O-N 3.34Å |
Retrieved 217 of 217 residues in 576.1 ms
(Link to these results)