| 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 | 39.2 | Very low | 36.6 | Very low | 250 Ų | 250 | 173.7 Ų | 173.7 | 100% | 1.232 | 90% | 0.899 | S | S | * | * | 0 | 98 | 0 | -124.7 | 156.5 | -175 | 0 | 0 | 106.6 | |||||
| 2 | E | 39.8 | Very low | 36.5 | Very low | 181 Ų | 181 | 167 Ų | 167 | 85% | 0.846 | 89% | 0.888 | S | S | * | * | trans | -71.7 | 144.8 | 171.2 | -64 | 173.7 | 94.5 | 0 | 0 | 109.4 | ||||
| 3 | F | 36.2 | Very low | 36.5 | Very low | 218 Ų | 218 | 161.5 Ų | 161.5 | 96% | 0.956 | 87% | 0.87 | S | S | * | * | trans | -152.7 | 121.1 | 134.7 | -95.1 | -73.4 | 0 | 0 | 0 | 108.9 | ||||
| 4 | A | 33.6 | Very low | 36.4 | Very low | 103 Ų | 103 | 161.2 Ų | 161.2 | 85% | 0.851 | 87% | 0.868 | S | S | * | * | trans | -75.7 | 159.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 5 | G | 32.7 | Very low | 36.5 | Very low | 78 Ų | 78 | 164.8 Ų | 164.8 | 80% | 0.804 | 87% | 0.866 | S | S | * | * | trans | 159 | 74.2 | 158.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 6 | R | 36.5 | Very low | 36.7 | Very low | 250 Ų | 250 | 165.5 Ų | 165.5 | 94% | 0.943 | 87% | 0.87 | S | S | * | * | trans | 55 | 114 | 142.8 | -110.7 | 176.5 | -178.7 | -127.1 | 1.1 | 121 | ||||
| 7 | L | 35.2 | Very low | 36.8 | Very low | 171 Ų | 171 | 161.4 Ų | 161.4 | 90% | 0.895 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 135 | 156.5 | -71 | 158 | 0 | 0 | 0 | 110.6 | ||
| 8 | R | 38.2 | Very low | 37 | Very low | 242 Ų | 242 | 161.3 Ų | 161.3 | 91% | 0.913 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 129.6 | 168.1 | -75.1 | -156.7 | 173.5 | -161.4 | -0.6 | 110.1 | ||
| 9 | P | 37.6 | Very low | 36.9 | Very low | 112 Ų | 112 | 159.4 Ų | 159.4 | 73% | 0.727 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 138.7 | 164.4 | 2 | 14.7 | 0 | 0 | 0 | 110.4 | E11 | P9-E11 PolarHBondContact O-N 3.45Š|
| 10 | S | 37.4 | Very low | 36.6 | Very low | 127 Ų | 127 | 154.9 Ų | 154.9 | 89% | 0.888 | 85% | 0.853 | S | S | * | * | trans | -86.7 | 94.4 | 167.9 | 165.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 11 | E | 36.4 | Very low | 36.7 | Very low | 179 Ų | 179 | 156.1 Ų | 156.1 | 84% | 0.836 | 86% | 0.857 | S | S | * | * | trans | -92.1 | 118.6 | 167.4 | -74.7 | -179.5 | 155.5 | 0 | 0 | 109.5 | P9 | P9-E11 PolarHBondContact O-N 3.45Š| ||
| 12 | A | 34.7 | Very low | 36.5 | Very low | 93 Ų | 93 | 148.9 Ų | 148.9 | 77% | 0.769 | 84% | 0.837 | S | S | * | * | trans | -78.5 | 131 | 161.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 13 | C | 37 | Very low | 36.3 | Very low | 96 Ų | 96 | 143.5 Ų | 143.5 | 65% | 0.649 | 83% | 0.83 | S | S | * | * | trans | -149.2 | 104.6 | 162.9 | -97 | 0 | 0 | 0 | 0 | 110.6 | Y15 | C13-Y15 WeakPolarHBondContact O-CD2 3.42Š| ||
| 14 | N | 35.9 | Very low | 36.2 | Very low | 157 Ų | 157 | 141.7 Ų | 141.7 | 84% | 0.84 | 83% | 0.83 | S | S | * | * | trans | 31.6 | 102.6 | 134.3 | -57.1 | -32.2 | 0 | 0 | 0 | 118.1 | ||||
| 15 | Y | 37.4 | Very low | 36.3 | Very low | 215 Ų | 215 | 144.4 Ų | 144.4 | 84% | 0.843 | 83% | 0.83 | S | S | * | * | trans | -126.5 | 82.8 | 159.4 | -74 | -83.9 | 0 | 0 | 0 | 110.4 | C13 | C13-Y15 WeakPolarHBondContact O-CD2 3.42Š| ||
| 16 | L | 40.2 | Very low | 37 | Very low | 176 Ų | 176 | 145.6 Ų | 145.6 | 92% | 0.921 | 82% | 0.824 | S | S | * | * | trans | -132.7 | 84.8 | 148.8 | -74.7 | 179.7 | 0 | 0 | 0 | 106.8 | ||||
| 17 | A | 37.1 | Very low | 36.9 | Very low | 96 Ų | 96 | 141.1 Ų | 141.1 | 79% | 0.793 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 127.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 18 | I | 41 | Very low | 37.2 | Very low | 159 Ų | 159 | 141.8 Ų | 141.8 | 82% | 0.815 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 130.7 | 169.7 | -60.8 | -84.8 | 0 | 0 | 0 | 107.4 | ||
| 19 | P | 34.3 | Very low | 37.2 | Very low | 125 Ų | 125 | 137.4 Ų | 137.4 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 123.8 | 176.1 | -8.2 | 24.9 | 0 | 0 | 0 | 112.3 | ||
| 20 | G | 31.3 | Very low | 37.5 | Very low | 70 Ų | 70 | 140.7 Ų | 140.7 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | trans | 76.9 | 114.5 | 135.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 21 | L | 39.2 | Very low | 37.5 | Very low | 181 Ų | 181 | 137.9 Ų | 137.9 | 95% | 0.948 | 81% | 0.808 | S | S | * | * | -158.4 | 131.9 | 114.8 | -98.3 | 168.6 | 0 | 0 | 0 | 109 | |||||
| 22 | A | 34.5 | Very low | 38.1 | Very low | 98 Ų | 98 | 136.2 Ų | 136.2 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | -66.1 | 150.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 23 | G | 37 | Very low | 38.5 | Very low | 68 Ų | 68 | 139.5 Ų | 139.5 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | trans | -74.1 | 159.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 24 | L | 34.3 | Very low | 38.9 | Very low | 180 Ų | 180 | 140.9 Ų | 140.9 | 94% | 0.942 | 81% | 0.814 | S | S | * | * | trans | -148.5 | 143.5 | 146.9 | -74.2 | -178.2 | 0 | 0 | 0 | 107.8 | ||||
| 25 | D | 34.5 | Very low | 39.6 | Very low | 159 Ų | 159 | 138.6 Ų | 138.6 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | trans | -61.8 | 169.2 | -177.6 | -85.5 | -49 | 0 | 0 | 0 | 114.6 | ||||
| 26 | P | 47.4 | Very low | 39.9 | Very low | 104 Ų | 104 | 130.6 Ų | 130.6 | 68% | 0.675 | 79% | 0.789 | S | S | * | * | trans | -90.8 | 134.7 | -169.3 | 34.3 | -27 | 0 | 0 | 0 | 111.5 | ||||
| 27 | D | 34.4 | Very low | 40.2 | Very low | 155 Ų | 155 | 131.3 Ų | 131.3 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | trans | -158.3 | 128.5 | 157.1 | -83.4 | -42.8 | 0 | 0 | 0 | 111.1 | ||||
| 28 | E | 41.5 | Very low | 40.9 | Very low | 185 Ų | 185 | 137.7 Ų | 137.7 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | 13.8 | 119.8 | 148.9 | -43.4 | -173.9 | 146 | 0 | 0 | 119.2 | ||||
| 29 | D | 38.2 | Very low | 41.3 | Very low | 150 Ų | 150 | 135 Ų | 135 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | 162.4 | 140.4 | 113.5 | -162.1 | 26.9 | 0 | 0 | 0 | 112.4 | |||||
| 30 | E | 44.4 | Very low | 42.5 | Very low | 182 Ų | 182 | 139.7 Ų | 139.7 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | trans | 7.9 | 123.5 | 155.8 | -156.2 | 171.3 | 120.4 | 0 | 0 | 120 | ||||
| 31 | G | 37.9 | Very low | 43.6 | Very low | 68 Ų | 68 | 141.1 Ų | 141.1 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | trans | 166.5 | 85.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | L33 | G31-L33 PolarHBondContact O-N 2.86Š| ||
| 32 | D | 47.8 | Very low | 44.2 | Very low | 143 Ų | 143 | 137.3 Ų | 137.3 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | trans | -46.3 | 114.8 | 169.1 | -177.3 | 24.8 | 0 | 0 | 0 | 113.1 | ||||
| 33 | L | 43.6 | Very low | 44.9 | Very low | 162 Ų | 162 | 138.9 Ų | 138.9 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | trans | -138.1 | 62.7 | 164.4 | -67.9 | 179.4 | 0 | 0 | 0 | 110.9 | G31 V35 | G31-L33 PolarHBondContact O-N 2.86Å; L33-V35 VanDerWaalsContact C-N 3.34Å; L33-V35 PolarHBondContact O-N 3.26Å | ||
| 34 | V | 45.8 | Very low | 46 | Very low | 126 Ų | 126 | 143 Ų | 143 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | -67.2 | 94.1 | 156.9 | 170.4 | 0 | 0 | 0 | 0 | 108.4 | G36 | V34-G36 PolarHBondContact O-N 2.88Š| ||
| 35 | V | 48.8 | Very low | 46.6 | Very low | 108 Ų | 108 | 140.4 Ų | 140.4 | 66% | 0.655 | 78% | 0.776 | S | S | * | * | trans | -75.8 | 72.9 | 163.2 | -176.3 | 0 | 0 | 0 | 0 | 108.2 | L33 F37 | L33-V35 VanDerWaalsContact C-N 3.34Å; L33-V35 PolarHBondContact O-N 3.26Å; V35-F37 HydrophobicContact CG1-CD2 4.17Å; V35-F37 HydrophobicContact CG1-CE1 4.48Å; V35-F37 HydrophobicContact CG1-CE2 3.69Å; V35-F37 HydrophobicContact CG1-CZ 3.86Å; V35-F37 PolarHBondContact O-N 3.02Å | ||
| 36 | G | 44.8 | Very low | 47.4 | Very low | 48 Ų | 48 | 138 Ų | 138 | 50% | 0.495 | 77% | 0.772 | S | S | . | * | trans | -80.5 | 103 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | V34 R38 | V34-G36 PolarHBondContact O-N 2.88Å; G36-R38 VanDerWaalsContact C-N 3.27Å; G36-R38 PolarHBondContact O-N 3.4Å | ||
| 37 | F | 47.1 | Very low | 47.9 | Very low | 191 Ų | 191 | 145.3 Ų | 145.3 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | -63.8 | 90.6 | 166.2 | -68.8 | -81.4 | 0 | 0 | 0 | 109 | V35 P39 | V35-F37 HydrophobicContact CG1-CD2 4.17Å; V35-F37 HydrophobicContact CG1-CE1 4.48Å; V35-F37 HydrophobicContact CG1-CE2 3.69Å; V35-F37 HydrophobicContact CG1-CZ 3.86Å; V35-F37 PolarHBondContact O-N 3.02Å; F37-P39 WeakPolarHBondContact O-CD 3.38Å | ||
| 38 | R | 51.6 | Low | 48.6 | Very low | 230 Ų | 230 | 148.2 Ų | 148.2 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | trans | -78.4 | 121.6 | 171.8 | -69.7 | -170.1 | 179 | -165.9 | 1.5 | 109.2 | G36 | G36-R38 VanDerWaalsContact C-N 3.27Å; G36-R38 PolarHBondContact O-N 3.4Å | ||
| 39 | P | 50 | Low | 48.5 | Very low | 103 Ų | 103 | 144.2 Ų | 144.2 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | trans | -61.8 | 138.1 | 170 | -17.9 | 30.9 | 0 | 0 | 0 | 110.4 | F37 S41 | F37-P39 WeakPolarHBondContact O-CD 3.38Å; P39-S41 PolarHBondContact O-N 3.05Å | ||
| 40 | K | 59 | Low | 49.3 | Very low | 222 Ų | 222 | 142.6 Ų | 142.6 | 97% | 0.965 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -71 | 41.4 | -174.2 | -68.4 | -178 | 173.4 | 177.1 | 0 | 115 | ||
| 41 | S | 53.8 | Low | 49 | Very low | 100 Ų | 100 | 142.1 Ų | 142.1 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | trans | -146.4 | 61.1 | -179.8 | 60 | 0 | 0 | 0 | 0 | 111.9 | P39 | P39-S41 PolarHBondContact O-N 3.05Š| ||
| 42 | S | 50.8 | Low | 49.5 | Very low | 101 Ų | 101 | 143.5 Ų | 143.5 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | -132.7 | 118.5 | 167.6 | -62.4 | 0 | 0 | 0 | 0 | 109.2 | I44 | S42-I44 PolarHBondContact O-N 2.82Š| ||
| 43 | P | 50.3 | Low | 49.1 | Very low | 131 Ų | 131 | 144.5 Ų | 144.5 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | trans | -68.3 | 133.2 | 176.8 | -4.8 | 18.5 | 0 | 0 | 0 | 109.7 | ||||
| 44 | I | 59.3 | Low | 49.4 | Very low | 155 Ų | 155 | 146.1 Ų | 146.1 | 80% | 0.795 | 78% | 0.781 | S | S | * | * | trans | -82.4 | 128 | 173.6 | -59 | 165.4 | 0 | 0 | 0 | 107.5 | S42 S46 | S42-I44 PolarHBondContact O-N 2.82Å; I44-S46 PolarHBondContact O-N 3.45Å | ||
| 45 | P | 48.5 | Very low | 49.5 | Very low | 125 Ų | 125 | 147.1 Ų | 147.1 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | -69.8 | 115.8 | 176.4 | 26.2 | -30.4 | 0 | 0 | 0 | 110.1 | ||||
| 46 | S | 50.6 | Low | 49.5 | Very low | 110 Ų | 110 | 147 Ų | 147 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -75.1 | 120.3 | 170.7 | 174.4 | 0 | 0 | 0 | 0 | 109.7 | I44 R48 | I44-S46 PolarHBondContact O-N 3.45Å; S46-R48 PolarHBondContact O-N 2.82Å | ||
| 47 | R | 57.8 | Low | 49.9 | Very low | 256 Ų | 256 | 151.6 Ų | 151.6 | 97% | 0.966 | 80% | 0.799 | S | S | * | * | trans | -69.5 | 110.6 | 166.8 | -105.3 | -173 | 171.7 | -170.7 | -1.3 | 108.1 | ||||
| 48 | R | 48.1 | Very low | 50 | Low | 217 Ų | 217 | 148.2 Ų | 148.2 | 82% | 0.819 | 80% | 0.797 | S | S | * | * | trans | -104 | 122.7 | 169.2 | -147.2 | 175.9 | -164.7 | -140.7 | 2.7 | 110.3 | S46 | S46-R48 PolarHBondContact O-N 2.82Š| ||
| 49 | S | 41.3 | Very low | 50.1 | Low | 100 Ų | 100 | 144.8 Ų | 144.8 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | trans | -63.7 | 152.6 | 175.4 | 48.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 50 | S | 54.2 | Low | 50.3 | Low | 116 Ų | 116 | 145 Ų | 145 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | -57 | 139.5 | 175.8 | 54.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 51 | F | 38.4 | Very low | 50 | Low | 172 Ų | 172 | 140 Ų | 140 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | -155.3 | 137.3 | 138.5 | 59.3 | -86.4 | 0 | 0 | 0 | 108.8 | ||||
| 52 | S | 47.6 | Very low | 50 | Low | 97 Ų | 97 | 145.6 Ų | 145.6 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | trans | -80.1 | 150.5 | 179.6 | 47.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 53 | D | 39.3 | Very low | 50.1 | Low | 165 Ų | 165 | 145 Ų | 145 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | -168.9 | 141.8 | 126.9 | -92.6 | -37.6 | 0 | 0 | 0 | 110.5 | |||||
| 54 | E | 50.5 | Low | 50.2 | Low | 196 Ų | 196 | 143.9 Ų | 143.9 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | trans | -66.1 | 137.1 | 179.9 | -73.4 | -157.6 | 87 | 0 | 0 | 113.1 | ||||
| 55 | D | 47.8 | Very low | 50.1 | Low | 147 Ų | 147 | 140.4 Ų | 140.4 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | -166.1 | 115.5 | 138.3 | -161.2 | 10.2 | 0 | 0 | 0 | 111.7 | ||||
| 56 | S | 49.4 | Very low | 51 | Low | 104 Ų | 104 | 145.3 Ų | 145.3 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | 52.1 | 120.2 | 153.5 | -56.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 57 | D | 52 | Low | 51.9 | Low | 145 Ų | 145 | 150.5 Ų | 150.5 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | trans | -51.2 | 148.7 | 172.4 | -87 | -50.2 | 0 | 0 | 0 | 115.3 | ||||
| 58 | P | 49.6 | Very low | 52.6 | Low | 121 Ų | 121 | 144.6 Ų | 144.6 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | -121.8 | 138.8 | 90.6 | 34 | -30.7 | 0 | 0 | 0 | 112.9 | |||||
| 59 | E | 54.4 | Low | 53.8 | Low | 157 Ų | 157 | 138.7 Ų | 138.7 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | trans | -39 | 122.5 | 174.6 | -85.3 | -178.4 | 131.2 | 0 | 0 | 111.8 | ||||
| 60 | P | 53.7 | Low | 55.5 | Low | 109 Ų | 109 | 141.7 Ų | 141.7 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | trans | -66 | 129.3 | 172.4 | 25.9 | -30.4 | 0 | 0 | 0 | 107.8 | Y62 | P60-Y62 PolarHBondContact O-N 2.61Å; P60-Y62 VanDerWaalsContact O-N 3.14Å | ||
| 61 | P | 53.3 | Low | 56.9 | Low | 116 Ų | 116 | 138.3 Ų | 138.3 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | trans | -55.3 | 129.5 | 174.9 | 22.7 | -31.8 | 0 | 0 | 0 | 108.2 | C63 | P61-C63 PolarHBondContact O-N 3.45Š| ||
| 62 | Y | 53.1 | Low | 58.9 | Low | 218 Ų | 218 | 133.1 Ų | 133.1 | 86% | 0.855 | 72% | 0.718 | S | S | * | * | trans | -35.6 | 105.8 | 175.5 | -78 | -93.9 | 0 | 0 | 0 | 109.4 | P60 S64 | P60-Y62 PolarHBondContact O-N 2.61Å; P60-Y62 VanDerWaalsContact O-N 3.14Å; Y62-S64 PolarHBondContact O-N 2.83Å | ||
| 63 | C | 53.8 | Low | 60.3 | Low | 89 Ų | 89 | 134.1 Ų | 134.1 | 60% | 0.601 | 73% | 0.732 | S | S | * | * | trans | -73.3 | 75.2 | -174.9 | -176.6 | 0 | 0 | 0 | 0 | 108.7 | P61 S65 | P61-C63 PolarHBondContact O-N 3.45Å; C63-S65 PolarHBondContact O-N 2.94Å | ||
| 64 | S | 50.5 | Low | 62.2 | Low | 107 Ų | 107 | 135 Ų | 135 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | trans | -80.9 | 80.5 | 166.3 | 51.9 | 0 | 0 | 0 | 0 | 108.4 | Y62 | Y62-S64 PolarHBondContact O-N 2.83Š| ||
| 65 | S | 58.9 | Low | 63.3 | Low | 82 Ų | 82 | 128.4 Ų | 128.4 | 57% | 0.573 | 71% | 0.713 | S | S | * | * | trans | 61 | 95.3 | 167.7 | 69.5 | 0 | 0 | 0 | 0 | 115.9 | C63 R67 | C63-S65 PolarHBondContact O-N 2.94Å; S65-R67 PolarHBondContact O-N 2.86Å | ||
| 66 | R | 67.6 | Low | 64.7 | Low | 228 Ų | 228 | 126.7 Ų | 126.7 | 86% | 0.86 | 70% | 0.703 | S | S | * | * | trans | -57.9 | 105.8 | 154.4 | -113.6 | 169.9 | -83.7 | -117.7 | -3.5 | 107.5 | ||||
| 67 | R | 69.4 | Low | 65.9 | Low | 219 Ų | 219 | 125.8 Ų | 125.8 | 83% | 0.826 | 70% | 0.697 | S | S | * | * | trans | -100.8 | 127 | 177.9 | -72 | 175.7 | 66.7 | 178.3 | 0.5 | 108.5 | S65 | S65-R67 PolarHBondContact O-N 2.86Š| ||
| 68 | V | 71.6 | Confident | 66.5 | Low | 132 Ų | 132 | 124.2 Ų | 124.2 | 80% | 0.8 | 69% | 0.688 | S | S | * | * | trans | -89.1 | 119.8 | 170.1 | -172 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 69 | S | 73.8 | Confident | 67.3 | Low | 92 Ų | 92 | 123.8 Ų | 123.8 | 64% | 0.643 | 68% | 0.683 | S | S | * | * | trans | -105.6 | 143.3 | 169.3 | 53.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 70 | F | 75.8 | Confident | 67.6 | Low | 164 Ų | 164 | 124.5 Ų | 124.5 | 72% | 0.719 | 69% | 0.686 | S | S | * | * | trans | -84.4 | 130 | 172.8 | -65.7 | -83.4 | 0 | 0 | 0 | 108.7 | L78 | F70-L78 HydrophobicContact CB-CB 4.37Å; F70-L78 HydrophobicContact CB-CD1 4.1Å; F70-L78 PolarHBondContact O-N 3.13Å | ||
| 71 | A | 85.3 | Confident | 67.9 | Low | 45 Ų | 45 | 124.7 Ų | 124.7 | 37% | 0.372 | 69% | 0.685 | S | S | . | * | B | Isolated β-bridge | trans | -131.6 | 154.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L76 | A71-L76 CarbonylContact C-O 3.55Å; A71-L76 WeakPolarHBondContact CA-O 3.31Å; A71-L76 WeakPolarHBondContact CB-O 3.42Å |
| 72 | D | 78.9 | Confident | 68.1 | Low | 63 Ų | 63 | 125.4 Ų | 125.4 | 34% | 0.337 | 68% | 0.676 | S | S | . | * | trans | -70.5 | 177.1 | 174.6 | 76.6 | -3 | 0 | 0 | 0 | 111.6 | K74 G75 L76 L78 | D72-K74 PolarHBondContact O-N 3.42Å; D72-K74 VanDerWaalsContact OD1-C 3.31Å; D72-K74 VanDerWaalsContact OD1-CA 3.3Å; D72-K74 WeakPolarHBondContact OD1-CA 3.15Å; D72-K74 WeakPolarHBondContact OD1-CB 3.46Å; D72-K74 PolarHBondContact OD1-N 2.82Å; D72-G75 PolarHBondContact O-N 2.78Å; D72-G75 PolarHBondContact OD1-N 2.97Å; D72-L76 PolarHBondContact N-O 2.99Å; D72-L76 PolarHBondContact OD1-N 3.32Å; D72-L78 HydrophobicContact CB-CD2 4.01Å; D72-L78 HydrophobicContact CB-CG 4.49Å | ||
| 73 | A | 77.7 | Confident | 68.5 | Low | 117 Ų | 117 | 123.4 Ų | 123.4 | 97% | 0.967 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -9.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 74 | K | 78.1 | Confident | 68.3 | Low | 183 Ų | 183 | 124.9 Ų | 124.9 | 80% | 0.796 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | 2.5 | 175.8 | -59.7 | -176.3 | 179.6 | -179.6 | 0 | 112.7 | D72 | D72-K74 PolarHBondContact O-N 3.42Å; D72-K74 VanDerWaalsContact OD1-C 3.31Å; D72-K74 VanDerWaalsContact OD1-CA 3.3Å; D72-K74 WeakPolarHBondContact OD1-CA 3.15Å; D72-K74 WeakPolarHBondContact OD1-CB 3.46Å; D72-K74 PolarHBondContact OD1-N 2.82Å |
| 75 | G | 74.7 | Confident | 68.8 | Low | 58 Ų | 58 | 125.8 Ų | 125.8 | 60% | 0.598 | 67% | 0.667 | S | S | * | * | S | Bend | trans | 83.2 | 14.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | D72 | D72-G75 PolarHBondContact O-N 2.78Å; D72-G75 PolarHBondContact OD1-N 2.97Å |
| 76 | L | 77.1 | Confident | 68.6 | Low | 112 Ų | 112 | 127.4 Ų | 127.4 | 59% | 0.586 | 67% | 0.674 | S | S | * | * | trans | -91.6 | 137.1 | 177.3 | -60.6 | 176.6 | 0 | 0 | 0 | 111.2 | A71 D72 L78 | A71-L76 CarbonylContact C-O 3.55Å; A71-L76 WeakPolarHBondContact CA-O 3.31Å; A71-L76 WeakPolarHBondContact CB-O 3.42Å; D72-L76 PolarHBondContact N-O 2.99Å; D72-L76 PolarHBondContact OD1-N 3.32Å; L76-L78 PolarHBondContact O-N 3.01Å | ||
| 77 | S | 75.4 | Confident | 68.2 | Low | 85 Ų | 85 | 121.9 Ų | 121.9 | 59% | 0.594 | 65% | 0.653 | S | S | * | * | B | Isolated β-bridge | trans | -52.7 | 127 | 179.2 | -174.1 | 0 | 0 | 0 | 0 | 112.2 | V79 | S77-V79 PolarHBondContact O-N 2.8Å |
| 78 | L | 63.7 | Low | 67.1 | Low | 112 Ų | 112 | 117.1 Ų | 117.1 | 59% | 0.586 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -76.7 | 59.8 | 178.5 | -76.4 | 167.5 | 0 | 0 | 0 | 111.9 | F70 D72 L76 | F70-L78 HydrophobicContact CB-CB 4.37Å; F70-L78 HydrophobicContact CB-CD1 4.1Å; F70-L78 PolarHBondContact O-N 3.13Å; D72-L78 HydrophobicContact CB-CD2 4.01Å; D72-L78 HydrophobicContact CB-CG 4.49Å; L76-L78 PolarHBondContact O-N 3.01Å |
| 79 | V | 67.3 | Low | 66.1 | Low | 112 Ų | 112 | 117.3 Ų | 117.3 | 68% | 0.679 | 64% | 0.64 | S | S | * | * | trans | -129.5 | 79.6 | 172 | -166.9 | 0 | 0 | 0 | 0 | 109.1 | S77 V81 | S77-V79 PolarHBondContact O-N 2.8Å; V79-V81 HydrophobicContact CG1-CG2 4.31Å | ||
| 80 | Q | 58.8 | Low | 64.9 | Low | 172 Ų | 172 | 118.1 Ų | 118.1 | 80% | 0.804 | 64% | 0.643 | S | S | * | * | trans | -111.2 | 92.1 | 158.7 | -168.8 | 175.6 | 11.7 | 0 | 0 | 107.7 | K82 | Q80-K82 PolarHBondContact O-N 2.72Å; Q80-K82 VanDerWaalsContact O-N 3.16Å | ||
| 81 | V | 61.7 | Low | 63.2 | Low | 113 Ų | 113 | 119.9 Ų | 119.9 | 69% | 0.685 | 65% | 0.651 | S | S | * | * | trans | -76.2 | 100.7 | 164.5 | -176.3 | 0 | 0 | 0 | 0 | 105.9 | V79 E83 | V79-V81 HydrophobicContact CG1-CG2 4.31Å; V81-E83 HydrophobicContact CG1-CG 3.97Å | ||
| 82 | K | 57.3 | Low | 61.4 | Low | 131 Ų | 131 | 125.3 Ų | 125.3 | 57% | 0.57 | 67% | 0.673 | S | S | * | * | trans | -93.7 | 96.4 | 168.7 | -170.1 | 155.1 | 179.4 | 171.2 | 0 | 107 | Q80 F84 | Q80-K82 PolarHBondContact O-N 2.72Å; Q80-K82 VanDerWaalsContact O-N 3.16Å; K82-F84 HydrophobicContact CB-CD2 4.37Å; K82-F84 HydrophobicContact CB-CE2 3.79Å; K82-F84 HydrophobicContact CB-CZ 4.23Å; K82-F84 HydrophobicContact CD-CE1 4.05Å; K82-F84 HydrophobicContact CD-CE2 4.02Å; K82-F84 HydrophobicContact CD-CZ 3.55Å; K82-F84 HydrophobicContact CG-CD2 4.08Å; K82-F84 HydrophobicContact CG-CE1 4.13Å; K82-F84 HydrophobicContact CG-CE2 3.58Å; K82-F84 HydrophobicContact CG-CZ 3.61Å; K82-F84 WeakPolarHBondContact O-CD2 3.45Å; K82-F84 PolarHBondContact O-N 2.81Å | ||
| 83 | E | 60 | Low | 59.6 | Low | 175 Ų | 175 | 131.4 Ų | 131.4 | 82% | 0.818 | 70% | 0.699 | S | S | * | * | trans | -68.8 | 110.1 | 168.5 | -67 | -179.8 | 178.9 | 0 | 0 | 107.3 | V81 | V81-E83 HydrophobicContact CG1-CG 3.97Š| ||
| 84 | F | 50.5 | Low | 57.7 | Low | 120 Ų | 120 | 129.1 Ų | 129.1 | 53% | 0.526 | 69% | 0.686 | S | S | . | * | trans | -88.5 | 116.5 | 166.9 | -65 | -91 | 0 | 0 | 0 | 106.2 | K82 T86 D88 | K82-F84 HydrophobicContact CB-CD2 4.37Å; K82-F84 HydrophobicContact CB-CE2 3.79Å; K82-F84 HydrophobicContact CB-CZ 4.23Å; K82-F84 HydrophobicContact CD-CE1 4.05Å; K82-F84 HydrophobicContact CD-CE2 4.02Å; K82-F84 HydrophobicContact CD-CZ 3.55Å; K82-F84 HydrophobicContact CG-CD2 4.08Å; K82-F84 HydrophobicContact CG-CE1 4.13Å; K82-F84 HydrophobicContact CG-CE2 3.58Å; K82-F84 HydrophobicContact CG-CZ 3.61Å; K82-F84 WeakPolarHBondContact O-CD2 3.45Å; K82-F84 PolarHBondContact O-N 2.81Å; F84-T86 PolarHBondContact O-N 2.85Å; F84-D88 WeakPolarHBondContact CD1-OD2 3.22Å | ||
| 85 | D | 61.6 | Low | 56.1 | Low | 126 Ų | 126 | 125.1 Ų | 125.1 | 67% | 0.674 | 68% | 0.682 | S | S | * | * | trans | -59.1 | 137.5 | 162.1 | -152.3 | -12.9 | 0 | 0 | 0 | 106.5 | W87 D88 | D85-W87 PolarHBondContact O-N 3.18Å; D85-D88 PolarHBondContact O-N 3.24Å | ||
| 86 | T | 55.1 | Low | 54.2 | Low | 117 Ų | 117 | 130.1 Ų | 130.1 | 72% | 0.718 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -68.8 | 7.2 | -171.1 | -42.4 | 0 | 0 | 0 | 0 | 112.3 | F84 | F84-T86 PolarHBondContact O-N 2.85Š|
| 87 | W | 59.1 | Low | 52.3 | Low | 112 Ų | 112 | 129.2 Ų | 129.2 | 42% | 0.424 | 70% | 0.698 | S | S | . | * | S | Bend | trans | -125.2 | 65 | 175.8 | -72.3 | -105.9 | 0 | 0 | 0 | 110.9 | D85 L89 V182 | D85-W87 PolarHBondContact O-N 3.18Å; W87-L89 VanDerWaalsContact C-N 3.35Å; W87-L89 PolarHBondContact O-N 2.84Å; W87-V182 HydrophobicContact CH2-CG1 3.71Å; W87-V182 HydrophobicContact CZ2-CG1 3.87Å |
| 88 | D | 45.8 | Very low | 50.6 | Low | 119 Ų | 119 | 131.5 Ų | 131.5 | 64% | 0.636 | 71% | 0.708 | S | S | * | * | trans | -55.4 | 93.9 | 171.7 | -90.9 | -35.1 | 0 | 0 | 0 | 111.9 | F84 D85 | F84-D88 WeakPolarHBondContact CD1-OD2 3.22Å; D85-D88 PolarHBondContact O-N 3.24Å | ||
| 89 | L | 50.8 | Low | 49.6 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 71% | 0.712 | 71% | 0.711 | S | S | * | * | trans | -85.6 | 117.5 | 152 | -75.8 | 168.9 | 0 | 0 | 0 | 106.8 | W87 K91 | W87-L89 VanDerWaalsContact C-N 3.35Å; W87-L89 PolarHBondContact O-N 2.84Å; L89-K91 PolarHBondContact O-N 3.3Å | ||
| 90 | P | 49.1 | Very low | 48.4 | Very low | 109 Ų | 109 | 132 Ų | 132 | 71% | 0.708 | 72% | 0.716 | S | S | * | * | trans | -68.3 | 104 | 177.9 | 25.3 | -30.5 | 0 | 0 | 0 | 109.9 | L92 | P90-L92 PolarHBondContact O-N 3.05Š| ||
| 91 | K | 39.5 | Very low | 47.6 | Very low | 201 Ų | 201 | 132.3 Ų | 132.3 | 87% | 0.874 | 72% | 0.717 | S | S | * | * | trans | -76.6 | 99.9 | 161.5 | -69.4 | 179.5 | -177 | 172.6 | 0 | 107.7 | L89 Q93 | L89-K91 PolarHBondContact O-N 3.3Å; K91-Q93 PolarHBondContact O-N 3.06Å | ||
| 92 | L | 47.9 | Very low | 46.9 | Very low | 159 Ų | 159 | 130.5 Ų | 130.5 | 83% | 0.832 | 72% | 0.721 | S | S | * | * | trans | -77.6 | 106.1 | 175.1 | -163.6 | 85.4 | 0 | 0 | 0 | 109.7 | P90 | P90-L92 PolarHBondContact O-N 3.05Š| ||
| 93 | Q | 40.6 | Very low | 46.3 | Very low | 191 Ų | 191 | 133.6 Ų | 133.6 | 89% | 0.893 | 73% | 0.734 | S | S | * | * | trans | -102.6 | 130.4 | 151 | -76.1 | -170.8 | -0.6 | 0 | 0 | 108.3 | K91 | K91-Q93 PolarHBondContact O-N 3.06Š| ||
| 94 | G | 38.1 | Very low | 46 | Very low | 68 Ų | 68 | 132.2 Ų | 132.2 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | trans | 90.2 | 91.2 | 159 | 0 | 0 | 0 | 0 | 0 | 116 | N96 | G94-N96 PolarHBondContact O-N 2.87Š| ||
| 95 | S | 43.8 | Very low | 46.5 | Very low | 100 Ų | 100 | 130.3 Ų | 130.3 | 70% | 0.699 | 73% | 0.734 | S | S | * | * | trans | -34 | 127.3 | 158.7 | 172.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 96 | N | 34.2 | Very low | 47.1 | Very low | 163 Ų | 163 | 127 Ų | 127 | 87% | 0.872 | 72% | 0.718 | S | S | * | * | trans | -150.7 | 100.9 | 132 | -88.3 | -24.7 | 0 | 0 | 0 | 108.3 | G94 V98 | G94-N96 PolarHBondContact O-N 2.87Å; N96-V98 PolarHBondContact O-N 3.16Å | ||
| 97 | S | 39.1 | Very low | 48.3 | Very low | 93 Ų | 93 | 126.3 Ų | 126.3 | 65% | 0.65 | 71% | 0.707 | S | S | * | * | trans | -64.5 | 115.7 | -178.8 | 51 | 0 | 0 | 0 | 0 | 112.1 | V99 | S97-V99 PolarHBondContact O-N 3.4Š| ||
| 98 | V | 38.6 | Very low | 49.5 | Very low | 132 Ų | 132 | 123.3 Ų | 123.3 | 80% | 0.8 | 70% | 0.696 | S | S | * | * | trans | -82.5 | 100.2 | 144.2 | 178.5 | 0 | 0 | 0 | 0 | 105.4 | N96 V100 | N96-V98 PolarHBondContact O-N 3.16Å; V98-V100 HydrophobicContact CG1-CG2 4.32Å; V98-V100 PolarHBondContact O-N 3.5Å | ||
| 99 | V | 42.2 | Very low | 51.5 | Low | 109 Ų | 109 | 121.7 Ų | 121.7 | 66% | 0.661 | 68% | 0.684 | S | S | * | * | trans | -67.2 | 102 | 172.9 | -178.2 | 0 | 0 | 0 | 0 | 107 | S97 E101 | S97-V99 PolarHBondContact O-N 3.4Å; V99-E101 HydrophobicContact CG1-CG 4.09Å | ||
| 100 | V | 43.5 | Very low | 53.4 | Low | 127 Ų | 127 | 117 Ų | 117 | 77% | 0.77 | 66% | 0.66 | S | S | * | * | trans | -95.9 | 105.6 | 154.6 | 179.6 | 0 | 0 | 0 | 0 | 105.5 | V98 | V98-V100 HydrophobicContact CG1-CG2 4.32Å; V98-V100 PolarHBondContact O-N 3.5Å | ||
| 101 | E | 41.6 | Very low | 55.4 | Low | 177 Ų | 177 | 114.3 Ų | 114.3 | 83% | 0.827 | 64% | 0.644 | S | S | * | * | trans | -58.8 | 137.1 | 171.1 | -78 | 178.4 | 132.1 | 0 | 0 | 110.7 | V99 | V99-E101 HydrophobicContact CG1-CG 4.09Š| ||
| 102 | G | 47.3 | Very low | 57.9 | Low | 75 Ų | 75 | 107.4 Ų | 107.4 | 77% | 0.773 | 62% | 0.619 | S | S | * | * | trans | 90.3 | 63.1 | 152.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 103 | K | 45.2 | Very low | 60 | Low | 196 Ų | 196 | 104.8 Ų | 104.8 | 85% | 0.852 | 61% | 0.606 | S | S | * | * | trans | -140.5 | 120.3 | 142.9 | -107.7 | 176.3 | -178 | 176.8 | 0 | 108.7 | S105 | K103-S105 VanDerWaalsContact C-N 3.35Å; K103-S105 PolarHBondContact O-N 3.19Å | ||
| 104 | D | 51.8 | Low | 62.4 | Low | 146 Ų | 146 | 97.6 Ų | 97.6 | 78% | 0.781 | 58% | 0.575 | S | S | * | * | trans | -49.8 | 103.7 | 166.1 | -155.4 | 13.5 | 0 | 0 | 0 | 106.8 | V106 | D104-V106 VanDerWaalsContact C-N 3.25Å; D104-V106 PolarHBondContact O-N 2.71Å | ||
| 105 | S | 62.8 | Low | 64.8 | Low | 81 Ų | 81 | 95.8 Ų | 95.8 | 57% | 0.566 | 55% | 0.548 | S | S | * | . | trans | -77.5 | 90.4 | -173.1 | 5.9 | 0 | 0 | 0 | 0 | 105.7 | K103 E107 | K103-S105 VanDerWaalsContact C-N 3.35Å; K103-S105 PolarHBondContact O-N 3.19Å; S105-E107 PolarHBondContact O-N 2.83Å | ||
| 106 | V | 72.4 | Confident | 66.9 | Low | 55 Ų | 55 | 95.3 Ų | 95.3 | 33% | 0.333 | 54% | 0.544 | S | S | . | . | trans | -60.7 | 110.6 | 176.5 | 178.6 | 0 | 0 | 0 | 0 | 107.9 | D104 Y108 R238 | D104-V106 VanDerWaalsContact C-N 3.25Å; D104-V106 PolarHBondContact O-N 2.71Å; V106-Y108 HydrophobicContact CB-CE2 4.46Å; V106-Y108 HydrophobicContact CG1-CE1 3.92Å; V106-Y108 HydrophobicContact CG1-CE2 3.86Å; V106-R238 HydrophobicContact CG1-CG 3.28Å | ||
| 107 | E | 81.9 | Confident | 69.4 | Low | 103 Ų | 103 | 89.6 Ų | 89.6 | 48% | 0.481 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 145.4 | 174.1 | -163.5 | 169.9 | 176.1 | 0 | 0 | 108.9 | S105 H109 R238 G239 | S105-E107 PolarHBondContact O-N 2.83Å; E107-H109 VanDerWaalsContact CD-CE1 3.46Å; E107-H109 IonicContact OE1-CE1 3.95Å; E107-H109 PolarHBondContact OE1-CE1 2.76Å; E107-H109 IonicContact OE2-CE1 2.56Å; E107-R238 CarbonylContact O-C 3.59Å; E107-G239 WeakPolarHBondContact O-CA 3.18Å; E107-G239 PolarHBondContact O-N 3.3Å |
| 108 | Y | 84.3 | Confident | 71.6 | Confident | 50 Ų | 50 | 90.9 Ų | 90.9 | 20% | 0.196 | 52% | 0.519 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 135.4 | 174.6 | -64.7 | -77.6 | 0 | 0 | 0 | 109 | V106 T145 F203 Q237 R238 | V106-Y108 HydrophobicContact CB-CE2 4.46Å; V106-Y108 HydrophobicContact CG1-CE1 3.92Å; V106-Y108 HydrophobicContact CG1-CE2 3.86Å; Y108-T145 HydrophobicContact CD1-CG2 4.15Å; Y108-T145 HydrophobicContact CD2-CG2 3.89Å; Y108-T145 HydrophobicContact CE1-CG2 3.77Å; Y108-T145 HydrophobicContact CE2-CG2 3.47Å; Y108-T145 VanDerWaalsContact CE2-CG2 3.47Å; Y108-T145 HydrophobicContact CG-CG2 4.2Å; Y108-F203 HydrophobicContact CD1-CD2 4.18Å; Y108-F203 AromaticContact CD1-CE2 3.99Å; Y108-F203 HydrophobicContact CD1-CE2 3.99Å; Y108-F203 HydrophobicContact CD1-CZ 4.5Å; Y108-F203 AromaticContact CE1-CD2 3.46Å; Y108-F203 HydrophobicContact CE1-CD2 3.46Å; Y108-F203 VanDerWaalsContact CE1-CD2 3.46Å; Y108-F203 AromaticContact CE1-CE2 3.31Å; Y108-F203 HydrophobicContact CE1-CE2 3.31Å; Y108-F203 HydrophobicContact CE1-CG 4.43Å; Y108-F203 HydrophobicContact CE1-CZ 4.2Å; Y108-F203 AromaticContact CZ-CE2 3.91Å; Y108-Q237 CarbonylContact C-O 3.51Å; Y108-Q237 WeakPolarHBondContact CA-O 3.25Å; Y108-R238 HydrophobicContact CD1-CB 4.37Å; Y108-R238 HydrophobicContact CD1-CG 4.49Å; Y108-R238 HydrophobicContact CE1-CB 4.22Å; Y108-R238 HydrophobicContact CE1-CG 4.1Å |
| 109 | H | 87.6 | Confident | 73.7 | Confident | 84 Ų | 84 | 86 Ų | 86 | 39% | 0.389 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 133.9 | 178.7 | -56.1 | -52.6 | 0 | 0 | 0 | 109.5 | E107 C236 Q237 G239 | E107-H109 VanDerWaalsContact CD-CE1 3.46Å; E107-H109 IonicContact OE1-CE1 3.95Å; E107-H109 PolarHBondContact OE1-CE1 2.76Å; E107-H109 IonicContact OE2-CE1 2.56Å; H109-C236 WeakPolarHBondContact O-CA 3.39Å; H109-Q237 PolarHBondContact N-O 2.93Å; H109-Q237 PolarHBondContact O-N 3.47Å; H109-G239 WeakPolarHBondContact NE2-CA 3.47Å |
| 110 | L | 90.2 | Very high | 76 | Confident | 39 Ų | 39 | 84.1 Ų | 84.1 | 20% | 0.204 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 129.4 | 175.7 | -168.9 | 71.6 | 0 | 0 | 0 | 109.6 | I138 L140 L147 L234 S235 C236 | L110-I138 HydrophobicContact CD2-CG2 4.42Å; L110-L140 HydrophobicContact CB-CD1 3.81Å; L110-L140 HydrophobicContact CB-CG 3.95Å; L110-L140 HydrophobicContact CD1-CD1 4.5Å; L110-L140 HydrophobicContact CD1-CG 4.33Å; L110-L140 HydrophobicContact CD2-CG 4.42Å; L110-L140 HydrophobicContact CG-CG 4.47Å; L110-L147 HydrophobicContact CD1-CD1 3.85Å; L110-L147 HydrophobicContact CD2-CD1 3.44Å; L110-L147 VanDerWaalsContact CD2-CD1 3.44Å; L110-L147 HydrophobicContact CG-CD1 4.31Å; L110-L234 HydrophobicContact CD1-CB 4.1Å; L110-L234 HydrophobicContact CD1-CD1 4.21Å; L110-L234 HydrophobicContact CD1-CD2 4.29Å; L110-L234 HydrophobicContact CD1-CG 4.45Å; L110-L234 HydrophobicContact CD2-CD1 4.48Å; L110-L234 HydrophobicContact CD2-CD2 4.17Å; L110-L234 HydrophobicContact CG-CD2 4.13Å; L110-S235 WeakPolarHBondContact CA-O 3.5Å; L110-C236 HydrophobicContact CD1-CB 4.22Å |
| 111 | S | 91.3 | Very high | 78.2 | Confident | 52 Ų | 52 | 82.9 Ų | 82.9 | 36% | 0.364 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 110.9 | 178.3 | -56.9 | 0 | 0 | 0 | 0 | 110.5 | S235 | S111-S235 PolarHBondContact N-O 2.87Å; S111-S235 PolarHBondContact O-N 3.25Å |
| 112 | P | 92.4 | Very high | 80.6 | Confident | 56 Ų | 56 | 82.3 Ų | 82.3 | 36% | 0.364 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 132.5 | 167.9 | -21.9 | 34.7 | 0 | 0 | 0 | 111.6 | F115 L234 | P112-F115 HydrophobicContact CB-CD1 4.41Å; P112-F115 HydrophobicContact CB-CD2 4.18Å; P112-F115 HydrophobicContact CB-CE1 4.2Å; P112-F115 HydrophobicContact CB-CE2 3.97Å; P112-F115 HydrophobicContact CB-CG 4.41Å; P112-F115 HydrophobicContact CB-CZ 4Å; P112-F115 WeakPolarHBondContact CB-O 3.46Å; P112-F115 HydrophobicContact CG-CE2 4.26Å; P112-F115 HydrophobicContact CG-CZ 4.43Å; P112-L234 HydrophobicContact CB-CD2 4.05Å; P112-L234 HydrophobicContact CG-CD2 3.93Å |
| 113 | L | 91.6 | Very high | 82.7 | Confident | 104 Ų | 104 | 83.3 Ų | 83.3 | 55% | 0.545 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -104.7 | -30.1 | -176.8 | -58.9 | -173.5 | 0 | 0 | 0 | 113.2 | V233 | L113-V233 HydrophobicContact CB-CB 4.2Å; L113-V233 HydrophobicContact CB-CG1 4.09Å; L113-V233 HydrophobicContact CD1-CG1 3.85Å; L113-V233 HydrophobicContact CG-CG1 4.33Å; L113-V233 PolarHBondContact N-O 3.14Å |
| 114 | T | 90.3 | Very high | 85 | Confident | 39 Ų | 39 | 74.3 Ų | 74.3 | 24% | 0.239 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -117.9 | 0.4 | -173.8 | 54.4 | 0 | 0 | 0 | 0 | 114.2 | N227 R230 N231 V233 | T114-N227 PolarHBondContact O-ND2 3.43Å; T114-R230 HydrophobicContact CG2-CB 4.5Å; T114-N231 PolarHBondContact OG1-O 3.31Å; T114-V233 HydrophobicContact CG2-CB 3.77Å; T114-V233 HydrophobicContact CG2-CG2 3.61Å; T114-V233 PolarHBondContact OG1-N 3.22Å |
| 115 | F | 89.7 | Confident | 87 | Confident | 31 Ų | 31 | 70.4 Ų | 70.4 | 14% | 0.136 | 40% | 0.398 | C | S | . | . | trans | -154 | 164.1 | -176 | 64.3 | -85.2 | 0 | 0 | 0 | 110.8 | P112 L117 L135 I138 F212 Y232 L234 | P112-F115 HydrophobicContact CB-CD1 4.41Å; P112-F115 HydrophobicContact CB-CD2 4.18Å; P112-F115 HydrophobicContact CB-CE1 4.2Å; P112-F115 HydrophobicContact CB-CE2 3.97Å; P112-F115 HydrophobicContact CB-CG 4.41Å; P112-F115 HydrophobicContact CB-CZ 4Å; P112-F115 WeakPolarHBondContact CB-O 3.46Å; P112-F115 HydrophobicContact CG-CE2 4.26Å; P112-F115 HydrophobicContact CG-CZ 4.43Å; F115-L117 HydrophobicContact CD2-CD1 4.12Å; F115-L117 HydrophobicContact CD2-CG 3.82Å; F115-L117 HydrophobicContact CE2-CD1 3.69Å; F115-L117 HydrophobicContact CE2-CG 3.86Å; F115-L135 HydrophobicContact CD2-CD2 4.43Å; F115-L135 HydrophobicContact CE2-CD2 3.8Å; F115-L135 HydrophobicContact CZ-CD2 3.99Å; F115-I138 HydrophobicContact CE2-CG2 3.93Å; F115-I138 HydrophobicContact CZ-CG2 4.06Å; F115-F212 HydrophobicContact CZ-CZ 4.43Å; F115-Y232 AromaticContact CD1-CD1 3.79Å; F115-Y232 HydrophobicContact CD1-CD1 3.79Å; F115-Y232 HydrophobicContact CD1-CG 4.41Å; F115-Y232 HydrophobicContact CD2-CD1 4.37Å; F115-Y232 AromaticContact CE1-CD1 3.99Å; F115-Y232 HydrophobicContact CE1-CD1 3.99Å; F115-Y232 HydrophobicContact CE1-CG 4.36Å; F115-Y232 AromaticContact CG-CD1 3.98Å; F115-Y232 HydrophobicContact CG-CD1 3.98Å; F115-Y232 HydrophobicContact CZ-CD1 4.34Å; F115-L234 HydrophobicContact CE1-CD2 3.96Å; F115-L234 HydrophobicContact CE1-CG 4.25Å; F115-L234 HydrophobicContact CE2-CD2 4.45Å; F115-L234 HydrophobicContact CZ-CD2 3.49Å; F115-L234 VanDerWaalsContact CZ-CD2 3.49Å; F115-L234 HydrophobicContact CZ-CG 4.07Å | ||
| 116 | S | 86.4 | Confident | 88.5 | Confident | 90 Ų | 90 | 69.4 Ų | 69.4 | 63% | 0.629 | 40% | 0.395 | S | S | * | . | trans | -124.4 | 129.7 | 176.4 | 53.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 117 | L | 87.7 | Confident | 89.6 | Confident | 43 Ų | 43 | 69.9 Ų | 69.9 | 23% | 0.225 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -129.5 | 156 | 173.1 | -69.7 | -178 | 0 | 0 | 0 | 109.2 | F115 L119 L135 E136 I138 | F115-L117 HydrophobicContact CD2-CD1 4.12Å; F115-L117 HydrophobicContact CD2-CG 3.82Å; F115-L117 HydrophobicContact CE2-CD1 3.69Å; F115-L117 HydrophobicContact CE2-CG 3.86Å; L117-L119 HydrophobicContact CD2-CB 4.33Å; L117-L119 HydrophobicContact CD2-CD1 3.87Å; L117-L119 HydrophobicContact CD2-CG 3.7Å; L117-L135 HydrophobicContact CD1-CD2 3.71Å; L117-L135 HydrophobicContact CD1-CG 3.88Å; L117-E136 WeakPolarHBondContact CD2-O 3.41Å; L117-I138 HydrophobicContact CD1-CB 4.15Å; L117-I138 HydrophobicContact CD1-CG2 3.84Å |
| 118 | P | 84.2 | Confident | 90.2 | Very high | 119 Ų | 119 | 65 Ų | 65 | 77% | 0.773 | 37% | 0.369 | S | S | * | . | S | Bend | cis | -73.3 | 144.8 | -1.7 | 30.4 | -34.3 | 0 | 0 | 0 | 112.5 | ||
| 119 | L | 84.2 | Confident | 90.8 | Very high | 31 Ų | 31 | 66.7 Ų | 66.7 | 16% | 0.162 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -85.1 | 148.5 | 168.9 | -71.1 | 167 | 0 | 0 | 0 | 109.5 | L117 V124 | L117-L119 HydrophobicContact CD2-CB 4.33Å; L117-L119 HydrophobicContact CD2-CD1 3.87Å; L117-L119 HydrophobicContact CD2-CG 3.7Å; L119-V124 HydrophobicContact CB-CG2 3.68Å; L119-V124 HydrophobicContact CD1-CG2 4.46Å |
| 120 | P | 89.7 | Confident | 91.1 | Very high | 69 Ų | 69 | 66.8 Ų | 66.8 | 45% | 0.448 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 147.4 | 171.7 | 28.7 | -33.1 | 0 | 0 | 0 | 110.2 | E122 E123 V124 | P120-E122 PolarHBondContact O-N 2.8Å; P120-E122 VanDerWaalsContact O-N 3.13Å; P120-E123 HydrophobicContact CG-CB 3.92Å; P120-E123 HydrophobicContact CG-CG 3.67Å; P120-E123 VanDerWaalsContact CG-OE1 3.25Å; P120-E123 WeakPolarHBondContact CG-OE1 3.5Å; P120-E123 PolarHBondContact O-N 3.48Å; P120-V124 PolarHBondContact O-N 2.92Å; P120-V124 VanDerWaalsContact O-N 3.14Å |
| 121 | S | 89 | Confident | 91.4 | Very high | 101 Ų | 101 | 67 Ų | 67 | 71% | 0.706 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -57.2 | -32.9 | -174.2 | -49.3 | 0 | 0 | 0 | 0 | 113.4 | V124 L125 | S121-V124 PolarHBondContact O-N 2.94Å; S121-L125 WeakPolarHBondContact O-CB 3.1Å; S121-L125 PolarHBondContact O-N 2.91Å |
| 122 | E | 92.4 | Very high | 91.6 | Very high | 165 Ų | 165 | 66.9 Ų | 66.9 | 77% | 0.771 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -65.7 | -41.8 | 177 | -173.2 | 178.1 | 179.2 | 0 | 0 | 112.4 | P120 L125 A126 | P120-E122 PolarHBondContact O-N 2.8Å; P120-E122 VanDerWaalsContact O-N 3.13Å; E122-L125 PolarHBondContact O-N 2.56Å; E122-A126 WeakPolarHBondContact O-CB 3.3Å; E122-A126 PolarHBondContact O-N 2.8Å |
| 123 | E | 92.1 | Very high | 91.9 | Very high | 96 Ų | 96 | 64.2 Ų | 64.2 | 45% | 0.449 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.9 | -39.8 | 176.3 | -75.6 | -177.1 | -138.6 | 0 | 0 | 111.6 | P120 L125 A126 K127 | P120-E123 HydrophobicContact CG-CB 3.92Å; P120-E123 HydrophobicContact CG-CG 3.67Å; P120-E123 VanDerWaalsContact CG-OE1 3.25Å; P120-E123 WeakPolarHBondContact CG-OE1 3.5Å; P120-E123 PolarHBondContact O-N 3.48Å; E123-L125 VanDerWaalsContact C-N 3.34Å; E123-A126 PolarHBondContact O-N 3.47Å; E123-K127 WeakPolarHBondContact O-CB 3.45Å; E123-K127 VanDerWaalsContact O-CG 3.32Å; E123-K127 WeakPolarHBondContact O-CG 3.28Å; E123-K127 PolarHBondContact O-N 3.47Å |
| 124 | V | 92.8 | Very high | 92.1 | Very high | 6 Ų | 6 | 59.6 Ų | 59.6 | 4% | 0.036 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.9 | -48.1 | 174.4 | 177.6 | 0 | 0 | 0 | 0 | 109.7 | L119 P120 S121 A126 K127 V128 R152 | L119-V124 HydrophobicContact CB-CG2 3.68Å; L119-V124 HydrophobicContact CD1-CG2 4.46Å; P120-V124 PolarHBondContact O-N 2.92Å; P120-V124 VanDerWaalsContact O-N 3.14Å; S121-V124 PolarHBondContact O-N 2.94Å; V124-A126 PolarHBondContact O-N 2.91Å; V124-K127 PolarHBondContact O-N 2.78Å; V124-V128 HydrophobicContact CG1-CG2 4.23Å; V124-V128 WeakPolarHBondContact O-CB 3.22Å; V124-V128 VanDerWaalsContact O-CG2 3.26Å; V124-V128 WeakPolarHBondContact O-CG2 3.14Å; V124-V128 PolarHBondContact O-N 2.9Å; V124-R152 HydrophobicContact CG1-CB 4.07Å; V124-R152 HydrophobicContact CG1-CG 3.97Å |
| 125 | L | 94.4 | Very high | 92.4 | Very high | 64 Ų | 64 | 57.7 Ų | 57.7 | 34% | 0.335 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -57.8 | -49.4 | 177.2 | 177.1 | 64.7 | 0 | 0 | 0 | 111.6 | S121 E122 E123 K127 V128 L129 V189 M190 | S121-L125 WeakPolarHBondContact O-CB 3.1Å; S121-L125 PolarHBondContact O-N 2.91Å; E122-L125 PolarHBondContact O-N 2.56Å; E123-L125 VanDerWaalsContact C-N 3.34Å; L125-K127 VanDerWaalsContact C-N 3.31Å; L125-K127 PolarHBondContact O-N 2.71Å; L125-V128 PolarHBondContact O-N 2.87Å; L125-L129 HydrophobicContact CD1-CD1 3.98Å; L125-L129 HydrophobicContact CD1-CG 4.05Å; L125-L129 HydrophobicContact CG-CD1 3.94Å; L125-L129 HydrophobicContact CG-CG 4.4Å; L125-L129 WeakPolarHBondContact O-CB 3.15Å; L125-L129 VanDerWaalsContact O-CG 3.3Å; L125-L129 WeakPolarHBondContact O-CG 3.39Å; L125-L129 PolarHBondContact O-N 2.85Å; L125-V189 HydrophobicContact CD1-CG1 4.45Å; L125-M190 HydrophobicContact CB-CE 4.2Å; L125-M190 HydrophobicContact CD1-CE 3.56Å; L125-M190 HydrophobicContact CD1-SD 3.78Å; L125-M190 HydrophobicContact CG-CE 4.46Å |
| 126 | A | 94.7 | Very high | 92.6 | Very high | 61 Ų | 61 | 59.3 Ų | 59.3 | 50% | 0.504 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.8 | -41.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E122 E123 V124 S130 | E122-A126 WeakPolarHBondContact O-CB 3.3Å; E122-A126 PolarHBondContact O-N 2.8Å; E123-A126 PolarHBondContact O-N 3.47Å; V124-A126 PolarHBondContact O-N 2.91Å; A126-S130 PolarHBondContact O-N 3.22Å; A126-S130 VanDerWaalsContact O-N 3.14Å; A126-S130 PolarHBondContact O-OG 2.9Å |
| 127 | K | 94.3 | Very high | 93 | Very high | 64 Ų | 64 | 56.9 Ų | 56.9 | 28% | 0.278 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68.9 | -40.3 | 176.8 | -73.4 | -172.7 | -172.1 | -180 | 0 | 112.6 | E123 V124 L125 S130 Q131 E134 | E123-K127 WeakPolarHBondContact O-CB 3.45Å; E123-K127 VanDerWaalsContact O-CG 3.32Å; E123-K127 WeakPolarHBondContact O-CG 3.28Å; E123-K127 PolarHBondContact O-N 3.47Å; V124-K127 PolarHBondContact O-N 2.78Å; L125-K127 VanDerWaalsContact C-N 3.31Å; L125-K127 PolarHBondContact O-N 2.71Å; K127-S130 PolarHBondContact O-N 2.81Å; K127-S130 PolarHBondContact O-OG 3.09Å; K127-Q131 WeakPolarHBondContact O-CG 3.09Å; K127-Q131 PolarHBondContact O-N 2.79Å; K127-Q131 PolarHBondContact O-NE2 2.87Å; K127-E134 HydrophobicContact CB-CB 4.22Å; K127-E134 HydrophobicContact CB-CG 3.93Å; K127-E134 HydrophobicContact CD-CG 3.95Å; K127-E134 WeakPolarHBondContact CD-OE2 3.23Å |
| 128 | V | 96.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.7 | -39.7 | 176.4 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | V124 L125 S130 K132 E134 R152 L154 M190 | V124-V128 HydrophobicContact CG1-CG2 4.23Å; V124-V128 WeakPolarHBondContact O-CB 3.22Å; V124-V128 VanDerWaalsContact O-CG2 3.26Å; V124-V128 WeakPolarHBondContact O-CG2 3.14Å; V124-V128 PolarHBondContact O-N 2.9Å; L125-V128 PolarHBondContact O-N 2.87Å; V128-S130 VanDerWaalsContact C-N 3.32Å; V128-S130 PolarHBondContact O-N 2.84Å; V128-K132 WeakPolarHBondContact O-CA 3.32Å; V128-K132 PolarHBondContact O-N 3.47Å; V128-E134 HydrophobicContact CG2-CB 3.76Å; V128-R152 HydrophobicContact CG2-CB 3.85Å; V128-L154 HydrophobicContact CG1-CB 3.82Å; V128-L154 HydrophobicContact CG1-CD1 4.35Å; V128-L154 VanDerWaalsContact CG1-N 3.31Å; V128-M190 HydrophobicContact CB-SD 3.79Å; V128-M190 HydrophobicContact CG1-CG 3.84Å; V128-M190 HydrophobicContact CG1-SD 3.74Å; V128-M190 HydrophobicContact CG2-SD 4.03Å |
| 129 | L | 95.9 | Very high | 93.7 | Very high | 87 Ų | 87 | 51.9 Ų | 51.9 | 46% | 0.455 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.3 | -38 | 176.2 | -72.7 | 172.7 | 0 | 0 | 0 | 112.2 | L125 K132 L154 | L125-L129 HydrophobicContact CD1-CD1 3.98Å; L125-L129 HydrophobicContact CD1-CG 4.05Å; L125-L129 HydrophobicContact CG-CD1 3.94Å; L125-L129 HydrophobicContact CG-CG 4.4Å; L125-L129 WeakPolarHBondContact O-CB 3.15Å; L125-L129 VanDerWaalsContact O-CG 3.3Å; L125-L129 WeakPolarHBondContact O-CG 3.39Å; L125-L129 PolarHBondContact O-N 2.85Å; L129-K132 PolarHBondContact O-NZ 2.72Å; L129-L154 HydrophobicContact CD2-CD1 3.85Å |
| 130 | S | 94.8 | Very high | 94.1 | Very high | 85 Ų | 85 | 52 Ų | 52 | 59% | 0.594 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -74.6 | -58.6 | 178.3 | 64.9 | 0 | 0 | 0 | 0 | 112.2 | A126 K127 V128 K132 | A126-S130 PolarHBondContact O-N 3.22Å; A126-S130 VanDerWaalsContact O-N 3.14Å; A126-S130 PolarHBondContact O-OG 2.9Å; K127-S130 PolarHBondContact O-N 2.81Å; K127-S130 PolarHBondContact O-OG 3.09Å; V128-S130 VanDerWaalsContact C-N 3.32Å; V128-S130 PolarHBondContact O-N 2.84Å; S130-K132 PolarHBondContact O-NZ 3.38Å |
| 131 | Q | 95.2 | Very high | 94.1 | Very high | 43 Ų | 43 | 51.4 Ų | 51.4 | 20% | 0.201 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -105.2 | 0.1 | -168.8 | 89.3 | -160.6 | -66 | 0 | 0 | 115.1 | K127 V133 E134 | K127-Q131 WeakPolarHBondContact O-CG 3.09Å; K127-Q131 PolarHBondContact O-N 2.79Å; K127-Q131 PolarHBondContact O-NE2 2.87Å; Q131-V133 WeakPolarHBondContact CG-O 3.27Å; Q131-V133 PolarHBondContact O-N 3.49Å; Q131-E134 PolarHBondContact NE2-OE2 2.85Å |
| 132 | K | 96.8 | Very high | 94 | Very high | 50 Ų | 50 | 51.4 Ų | 51.4 | 22% | 0.217 | 29% | 0.289 | C | S | . | . | S | Bend | trans | 75.6 | -14.4 | 174.4 | -44.2 | -53.6 | -177.4 | -104.6 | 0 | 116.8 | V128 L129 S130 V153 L154 I156 Y216 F223 | V128-K132 WeakPolarHBondContact O-CA 3.32Å; V128-K132 PolarHBondContact O-N 3.47Å; L129-K132 PolarHBondContact O-NZ 2.72Å; S130-K132 PolarHBondContact O-NZ 3.38Å; K132-V153 CarbonylContact O-C 3.58Å; K132-V153 VanDerWaalsContact O-CA 3.31Å; K132-V153 WeakPolarHBondContact O-CA 3.43Å; K132-L154 HydrophobicContact CB-CB 4.42Å; K132-L154 HydrophobicContact CD-CB 4.19Å; K132-L154 HydrophobicContact CD-CD2 3.51Å; K132-L154 HydrophobicContact CD-CG 4.49Å; K132-L154 PolarHBondContact O-N 2.91Å; K132-I156 HydrophobicContact CB-CD1 4.28Å; K132-I156 HydrophobicContact CD-CD1 3.98Å; K132-I156 HydrophobicContact CG-CD1 4.11Å; K132-Y216 HydrophobicContact CB-CD1 4.03Å; K132-Y216 HydrophobicContact CB-CE1 4.27Å; K132-F223 HydrophobicContact CB-CB 4Å; K132-F223 HydrophobicContact CB-CD1 4.04Å; K132-F223 HydrophobicContact CB-CD2 4.07Å; K132-F223 HydrophobicContact CB-CG 3.75Å; K132-F223 HydrophobicContact CG-CB 4.46Å; K132-F223 HydrophobicContact CG-CD1 3.57Å; K132-F223 HydrophobicContact CG-CD2 4.26Å; K132-F223 HydrophobicContact CG-CE1 3.79Å; K132-F223 HydrophobicContact CG-CE2 4.44Å; K132-F223 HydrophobicContact CG-CG 3.83Å; K132-F223 HydrophobicContact CG-CZ 4.22Å |
| 133 | V | 97.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 140 | 178.7 | 51.9 | 0 | 0 | 0 | 0 | 110.1 | Q131 V151 R152 V153 L214 Y216 F223 A225 | Q131-V133 WeakPolarHBondContact CG-O 3.27Å; Q131-V133 PolarHBondContact O-N 3.49Å; V133-V151 HydrophobicContact CG2-CG1 3.57Å; V133-R152 CarbonylContact C-O 3.55Å; V133-R152 WeakPolarHBondContact CA-O 3.38Å; V133-V153 HydrophobicContact CB-CG1 4.07Å; V133-V153 HydrophobicContact CG2-CG1 3.89Å; V133-L214 HydrophobicContact CG2-CB 3.85Å; V133-L214 HydrophobicContact CG2-CD1 3.97Å; V133-Y216 HydrophobicContact CB-CD1 4.49Å; V133-Y216 HydrophobicContact CB-CG 4.45Å; V133-F223 HydrophobicContact CG1-CB 4.42Å; V133-A225 HydrophobicContact CG1-CB 3.82Å; V133-A225 WeakPolarHBondContact O-CB 3.3Å |
| 134 | E | 96.5 | Very high | 93.3 | Very high | 7 Ų | 7 | 45 Ų | 45 | 3% | 0.033 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 151.2 | 176.4 | -175.1 | 56.9 | -115.1 | 0 | 0 | 111 | K127 V128 Q131 V151 R152 Y232 | K127-E134 HydrophobicContact CB-CB 4.22Å; K127-E134 HydrophobicContact CB-CG 3.93Å; K127-E134 HydrophobicContact CD-CG 3.95Å; K127-E134 WeakPolarHBondContact CD-OE2 3.23Å; V128-E134 HydrophobicContact CG2-CB 3.76Å; Q131-E134 PolarHBondContact NE2-OE2 2.85Å; E134-V151 WeakPolarHBondContact O-CA 3.42Å; E134-R152 PolarHBondContact N-O 3.3Å; E134-R152 PolarHBondContact O-N 2.87Å; E134-Y232 PolarHBondContact OE1-OH 3.41Å |
| 135 | L | 96.1 | Very high | 93 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 123.5 | 172.8 | -174.2 | 70.1 | 0 | 0 | 0 | 109.8 | F115 L117 I138 V151 F195 F212 L214 Y232 | F115-L135 HydrophobicContact CD2-CD2 4.43Å; F115-L135 HydrophobicContact CE2-CD2 3.8Å; F115-L135 HydrophobicContact CZ-CD2 3.99Å; L117-L135 HydrophobicContact CD1-CD2 3.71Å; L117-L135 HydrophobicContact CD1-CG 3.88Å; L135-I138 HydrophobicContact CD1-CD1 4.4Å; L135-I138 HydrophobicContact CD2-CB 4.39Å; L135-I138 HydrophobicContact CD2-CD1 4.21Å; L135-V151 HydrophobicContact CD1-CG2 4.25Å; L135-F195 HydrophobicContact CD1-CE1 4.3Å; L135-F212 HydrophobicContact CD1-CE2 4.23Å; L135-F212 HydrophobicContact CD1-CZ 4.45Å; L135-F212 HydrophobicContact CD2-CE2 3.96Å; L135-F212 HydrophobicContact CD2-CZ 3.65Å; L135-L214 HydrophobicContact CB-CD1 4.1Å; L135-Y232 HydrophobicContact CB-CD1 4.23Å; L135-Y232 HydrophobicContact CB-CE1 3.63Å; L135-Y232 HydrophobicContact CD2-CD1 3.61Å; L135-Y232 HydrophobicContact CD2-CE1 3.88Å; L135-Y232 HydrophobicContact CD2-CG 4.25Å; L135-Y232 HydrophobicContact CG-CE1 4.44Å |
| 136 | E | 94.6 | Very high | 93 | Very high | 65 Ų | 65 | 44.6 Ų | 44.6 | 30% | 0.304 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | -49.9 | -179.6 | 178.6 | -177 | -168.7 | 0 | 0 | 111.8 | L117 V150 R152 | L117-E136 WeakPolarHBondContact CD2-O 3.41Å; E136-V150 HydrophobicContact CB-CG1 4.42Å; E136-V150 PolarHBondContact N-O 3.08Å; E136-V150 VanDerWaalsContact OE2-CG1 3.27Å; E136-V150 WeakPolarHBondContact OE2-CG1 3.39Å; E136-R152 HydrophobicContact CB-CG 3.83Å; E136-R152 HydrophobicContact CG-CG 4.2Å; E136-R152 VanDerWaalsContact OE2-CD 3.23Å; E136-R152 WeakPolarHBondContact OE2-CD 3.35Å; E136-R152 WeakPolarHBondContact OE2-CG 3.5Å |
| 137 | A | 93.9 | Very high | 93 | Very high | 39 Ų | 39 | 41.7 Ų | 41.7 | 32% | 0.322 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 148.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | G149 V150 | A137-G149 CarbonylContact O-C 3.42Å; A137-G149 VanDerWaalsContact O-CA 3.28Å; A137-G149 WeakPolarHBondContact O-CA 3.28Å; A137-V150 HydrophobicContact CB-CB 4.16Å; A137-V150 HydrophobicContact CB-CG2 4.28Å; A137-V150 PolarHBondContact N-O 3.37Å; A137-V150 PolarHBondContact O-N 3.11Å |
| 138 | I | 95.1 | Very high | 93 | Very high | 29 Ų | 29 | 41.3 Ų | 41.3 | 15% | 0.149 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 142.3 | 171.8 | -155.3 | 155.5 | 0 | 0 | 0 | 110.5 | L110 F115 L117 L135 L147 K148 F195 F212 L234 | L110-I138 HydrophobicContact CD2-CG2 4.42Å; F115-I138 HydrophobicContact CE2-CG2 3.93Å; F115-I138 HydrophobicContact CZ-CG2 4.06Å; L117-I138 HydrophobicContact CD1-CB 4.15Å; L117-I138 HydrophobicContact CD1-CG2 3.84Å; L135-I138 HydrophobicContact CD1-CD1 4.4Å; L135-I138 HydrophobicContact CD2-CB 4.39Å; L135-I138 HydrophobicContact CD2-CD1 4.21Å; I138-L147 HydrophobicContact CD1-CD1 4.28Å; I138-L147 HydrophobicContact CD1-CD2 4.13Å; I138-L147 HydrophobicContact CD1-CG 4.28Å; I138-L147 HydrophobicContact CG1-CD1 3.8Å; I138-L147 HydrophobicContact CG1-CD2 4.48Å; I138-L147 HydrophobicContact CG1-CG 4.1Å; I138-K148 WeakPolarHBondContact CA-O 3.39Å; I138-F195 HydrophobicContact CD1-CZ 4.04Å; I138-F212 HydrophobicContact CD1-CE1 3.73Å; I138-F212 HydrophobicContact CD1-CE2 4.33Å; I138-F212 HydrophobicContact CD1-CZ 3.38Å; I138-L234 HydrophobicContact CD1-CD1 3.68Å; I138-L234 HydrophobicContact CG1-CD1 4.32Å; I138-L234 HydrophobicContact CG2-CD2 4.21Å |
| 139 | G | 93.1 | Very high | 93.1 | Very high | 27 Ų | 27 | 41.3 Ų | 41.3 | 28% | 0.278 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.8 | 166.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K148 | G139-K148 PolarHBondContact N-O 3Å; G139-K148 PolarHBondContact O-N 3Å |
| 140 | L | 91.7 | Very high | 93.1 | Very high | 35 Ų | 35 | 37.7 Ų | 37.7 | 18% | 0.183 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 141.5 | 170.6 | -71.7 | 170.4 | 0 | 0 | 0 | 110 | L110 I146 L147 | L110-L140 HydrophobicContact CB-CD1 3.81Å; L110-L140 HydrophobicContact CB-CG 3.95Å; L110-L140 HydrophobicContact CD1-CD1 4.5Å; L110-L140 HydrophobicContact CD1-CG 4.33Å; L110-L140 HydrophobicContact CD2-CG 4.42Å; L110-L140 HydrophobicContact CG-CG 4.47Å; L140-I146 WeakPolarHBondContact CA-O 3.39Å; L140-L147 HydrophobicContact CD2-CB 4.37Å; L140-L147 HydrophobicContact CD2-CD1 4.37Å |
| 141 | L | 90.3 | Very high | 93.2 | Very high | 56 Ų | 56 | 33.6 Ų | 33.6 | 29% | 0.293 | 21% | 0.208 | S | C | . | . | P | Polyproline II helix | trans | -69.2 | 128.5 | 167.5 | -66.7 | -178.1 | 0 | 0 | 0 | 109 | G143 T144 I146 K148 | L141-G143 PolarHBondContact O-N 3.35Å; L141-T144 VanDerWaalsContact CB-OG1 3.3Å; L141-T144 WeakPolarHBondContact CB-OG1 3.37Å; L141-T144 PolarHBondContact O-N 2.88Å; L141-T144 PolarHBondContact O-OG1 3.01Å; L141-I146 HydrophobicContact CB-CB 4.38Å; L141-I146 HydrophobicContact CD1-CB 3.99Å; L141-I146 HydrophobicContact CD1-CD1 4.42Å; L141-I146 HydrophobicContact CD1-CG2 3.78Å; L141-I146 HydrophobicContact CG-CB 4.33Å; L141-I146 HydrophobicContact CG-CG2 4.33Å; L141-I146 PolarHBondContact N-O 3.18Å; L141-K148 HydrophobicContact CD2-CB 4.25Å; L141-K148 HydrophobicContact CD2-CD 4.11Å; L141-K148 HydrophobicContact CG-CB 4.4Å |
| 142 | P | 85.9 | Confident | 93.3 | Very high | 101 Ų | 101 | 32.7 Ų | 32.7 | 66% | 0.656 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 132.5 | -175.3 | -28.3 | 34.4 | 0 | 0 | 0 | 113.1 | T144 | P142-T144 PolarHBondContact O-N 2.95Š|
| 143 | G | 82.2 | Confident | 93.4 | Very high | 77 Ų | 77 | 30.3 Ų | 30.3 | 79% | 0.794 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | 8.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | L141 | L141-G143 PolarHBondContact O-N 3.35Š|
| 144 | T | 87.1 | Confident | 93.4 | Very high | 49 Ų | 49 | 31.7 Ų | 31.7 | 30% | 0.301 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -130.5 | 173.1 | 178.9 | 77.6 | 0 | 0 | 0 | 0 | 111.7 | L141 P142 I146 | L141-T144 VanDerWaalsContact CB-OG1 3.3Å; L141-T144 WeakPolarHBondContact CB-OG1 3.37Å; L141-T144 PolarHBondContact O-N 2.88Å; L141-T144 PolarHBondContact O-OG1 3.01Å; P142-T144 PolarHBondContact O-N 2.95Å; T144-I146 PolarHBondContact OG1-N 2.93Å |
| 145 | T | 88.4 | Confident | 93.4 | Very high | 18 Ų | 18 | 34 Ų | 34 | 11% | 0.11 | 21% | 0.213 | C | C | . | . | trans | -101 | 18 | 172.4 | 59.7 | 0 | 0 | 0 | 0 | 112.2 | Y108 L199 F203 | Y108-T145 HydrophobicContact CD1-CG2 4.15Å; Y108-T145 HydrophobicContact CD2-CG2 3.89Å; Y108-T145 HydrophobicContact CE1-CG2 3.77Å; Y108-T145 HydrophobicContact CE2-CG2 3.47Å; Y108-T145 VanDerWaalsContact CE2-CG2 3.47Å; Y108-T145 HydrophobicContact CG-CG2 4.2Å; T145-L199 WeakPolarHBondContact CB-O 3.05Å; T145-L199 WeakPolarHBondContact O-CB 3.4Å; T145-L199 PolarHBondContact O-N 2.61Å; T145-L199 PolarHBondContact OG1-O 2.88Å; T145-F203 HydrophobicContact CG2-CE2 3.38Å; T145-F203 HydrophobicContact CG2-CZ 3.43Å; T145-F203 VanDerWaalsContact CG2-CZ 3.43Å | ||
| 146 | I | 92.8 | Very high | 93.3 | Very high | 44 Ų | 44 | 37.1 Ų | 37.1 | 23% | 0.226 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 113 | -177.4 | -57.3 | 173.1 | 0 | 0 | 0 | 108.5 | L140 L141 T144 K196 L197 T198 | L140-I146 WeakPolarHBondContact CA-O 3.39Å; L141-I146 HydrophobicContact CB-CB 4.38Å; L141-I146 HydrophobicContact CD1-CB 3.99Å; L141-I146 HydrophobicContact CD1-CD1 4.42Å; L141-I146 HydrophobicContact CD1-CG2 3.78Å; L141-I146 HydrophobicContact CG-CB 4.33Å; L141-I146 HydrophobicContact CG-CG2 4.33Å; L141-I146 PolarHBondContact N-O 3.18Å; T144-I146 PolarHBondContact OG1-N 2.93Å; I146-K196 HydrophobicContact CG2-CB 4.04Å; I146-K196 HydrophobicContact CG2-CG 4.38Å; I146-L197 CarbonylContact C-O 3.58Å; I146-L197 WeakPolarHBondContact CA-O 3.04Å; I146-T198 HydrophobicContact CG1-CG2 4.27Å |
| 147 | L | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 121.3 | 171 | -174.9 | 72.4 | 0 | 0 | 0 | 109 | L110 I138 L140 K196 L197 L234 | L110-L147 HydrophobicContact CD1-CD1 3.85Å; L110-L147 HydrophobicContact CD2-CD1 3.44Å; L110-L147 VanDerWaalsContact CD2-CD1 3.44Å; L110-L147 HydrophobicContact CG-CD1 4.31Å; I138-L147 HydrophobicContact CD1-CD1 4.28Å; I138-L147 HydrophobicContact CD1-CD2 4.13Å; I138-L147 HydrophobicContact CD1-CG 4.28Å; I138-L147 HydrophobicContact CG1-CD1 3.8Å; I138-L147 HydrophobicContact CG1-CD2 4.48Å; I138-L147 HydrophobicContact CG1-CG 4.1Å; L140-L147 HydrophobicContact CD2-CB 4.37Å; L140-L147 HydrophobicContact CD2-CD1 4.37Å; L147-K196 CarbonylContact O-C 3.47Å; L147-K196 VanDerWaalsContact O-CA 3.28Å; L147-K196 WeakPolarHBondContact O-CA 3.27Å; L147-L197 HydrophobicContact CB-CB 4.23Å; L147-L197 HydrophobicContact CD2-CD2 4.12Å; L147-L197 PolarHBondContact N-O 2.84Å; L147-L197 PolarHBondContact O-N 2.65Å; L147-L234 HydrophobicContact CD1-CD1 3.88Å; L147-L234 HydrophobicContact CD2-CD1 3.63Å; L147-L234 HydrophobicContact CG-CD1 4.38Å |
| 148 | K | 96 | Very high | 93.3 | Very high | 55 Ų | 55 | 44.1 Ų | 44.1 | 24% | 0.239 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 127.5 | 171.7 | -176.9 | -178.7 | 176.1 | -174.6 | 0 | 108.8 | I138 G139 L141 F195 | I138-K148 WeakPolarHBondContact CA-O 3.39Å; G139-K148 PolarHBondContact N-O 3Å; G139-K148 PolarHBondContact O-N 3Å; L141-K148 HydrophobicContact CD2-CB 4.25Å; L141-K148 HydrophobicContact CD2-CD 4.11Å; L141-K148 HydrophobicContact CG-CB 4.4Å; K148-F195 WeakPolarHBondContact CA-O 3.23Å |
| 149 | G | 96.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 153.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A137 S194 F195 | A137-G149 CarbonylContact O-C 3.42Å; A137-G149 VanDerWaalsContact O-CA 3.28Å; A137-G149 WeakPolarHBondContact O-CA 3.28Å; G149-S194 VanDerWaalsContact O-CA 3.28Å; G149-S194 WeakPolarHBondContact O-CA 3.45Å; G149-F195 VanDerWaalsContact CA-CE1 3.43Å; G149-F195 PolarHBondContact N-O 3.47Å; G149-F195 VanDerWaalsContact N-O 3.09Å; G149-F195 PolarHBondContact O-N 2.97Å |
| 150 | V | 96.7 | Very high | 93.5 | Very high | 11 Ų | 11 | 48.2 Ų | 48.2 | 7% | 0.067 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 128.6 | 173.8 | -174.6 | 0 | 0 | 0 | 0 | 108.1 | E136 A137 F193 | E136-V150 HydrophobicContact CB-CG1 4.42Å; E136-V150 PolarHBondContact N-O 3.08Å; E136-V150 VanDerWaalsContact OE2-CG1 3.27Å; E136-V150 WeakPolarHBondContact OE2-CG1 3.39Å; A137-V150 HydrophobicContact CB-CB 4.16Å; A137-V150 HydrophobicContact CB-CG2 4.28Å; A137-V150 PolarHBondContact N-O 3.37Å; A137-V150 PolarHBondContact O-N 3.11Å; V150-F193 CarbonylContact C-O 3.6Å; V150-F193 WeakPolarHBondContact CA-O 3.42Å |
| 151 | V | 97.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 130.6 | -176.8 | 177.8 | 0 | 0 | 0 | 0 | 108.2 | V133 E134 L135 V153 V162 S192 F193 F195 L214 | V133-V151 HydrophobicContact CG2-CG1 3.57Å; E134-V151 WeakPolarHBondContact O-CA 3.42Å; L135-V151 HydrophobicContact CD1-CG2 4.25Å; V151-V153 HydrophobicContact CG1-CG1 4.17Å; V151-V162 HydrophobicContact CB-CG1 4.41Å; V151-V162 HydrophobicContact CG1-CG1 3.99Å; V151-S192 WeakPolarHBondContact O-CA 3.46Å; V151-F193 PolarHBondContact N-O 2.71Å; V151-F193 PolarHBondContact O-N 3.06Å; V151-F195 HydrophobicContact CG2-CD1 4.12Å; V151-F195 HydrophobicContact CG2-CE1 4Å; V151-L214 HydrophobicContact CG1-CD1 3.88Å; V151-L214 HydrophobicContact CG2-CD1 4.05Å; V151-L214 HydrophobicContact CG2-CD2 3.8Å |
| 152 | R | 97.1 | Very high | 94.2 | Very high | 24 Ų | 24 | 45.6 Ų | 45.6 | 9% | 0.091 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 135.1 | 171.7 | -67.7 | -71.6 | -79.1 | -176.1 | -6.9 | 109.3 | V124 V128 V133 E134 E136 S185 D187 D191 S192 | V124-R152 HydrophobicContact CG1-CB 4.07Å; V124-R152 HydrophobicContact CG1-CG 3.97Å; V128-R152 HydrophobicContact CG2-CB 3.85Å; V133-R152 CarbonylContact C-O 3.55Å; V133-R152 WeakPolarHBondContact CA-O 3.38Å; E134-R152 PolarHBondContact N-O 3.3Å; E134-R152 PolarHBondContact O-N 2.87Å; E136-R152 HydrophobicContact CB-CG 3.83Å; E136-R152 HydrophobicContact CG-CG 4.2Å; E136-R152 VanDerWaalsContact OE2-CD 3.23Å; E136-R152 WeakPolarHBondContact OE2-CD 3.35Å; E136-R152 WeakPolarHBondContact OE2-CG 3.5Å; R152-S185 PolarHBondContact NH1-O 2.98Å; R152-D187 IonicContact NH2-OD1 3.19Å; R152-D187 IonicContact NH2-OD2 3.75Å; R152-D187 PolarHBondContact NH2-OD2 3.5Å; R152-D191 WeakPolarHBondContact CA-O 3.49Å; R152-S192 WeakPolarHBondContact CD-OG 3.32Å; R152-S192 PolarHBondContact NH1-OG 3.39Å |
| 153 | V | 97.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 150 | 175.2 | -59.4 | 0 | 0 | 0 | 0 | 110.9 | K132 V133 V151 N155 K160 V162 M190 D191 F193 Y216 | K132-V153 CarbonylContact O-C 3.58Å; K132-V153 VanDerWaalsContact O-CA 3.31Å; K132-V153 WeakPolarHBondContact O-CA 3.43Å; V133-V153 HydrophobicContact CB-CG1 4.07Å; V133-V153 HydrophobicContact CG2-CG1 3.89Å; V151-V153 HydrophobicContact CG1-CG1 4.17Å; V153-N155 PolarHBondContact O-N 2.96Å; V153-K160 HydrophobicContact CG2-CD 4.29Å; V153-V162 HydrophobicContact CG1-CG2 3.58Å; V153-M190 CarbonylContact O-C 3.54Å; V153-M190 WeakPolarHBondContact O-CA 3.24Å; V153-M190 WeakPolarHBondContact O-CB 3.42Å; V153-D191 HydrophobicContact CG2-CB 3.99Å; V153-D191 PolarHBondContact N-O 3.15Å; V153-D191 PolarHBondContact O-N 3.18Å; V153-F193 HydrophobicContact CG1-CD2 4.49Å; V153-F193 HydrophobicContact CG2-CD2 3.8Å; V153-F193 HydrophobicContact CG2-CE2 3.55Å; V153-Y216 HydrophobicContact CB-CD1 4.28Å; V153-Y216 HydrophobicContact CB-CD2 4.19Å; V153-Y216 HydrophobicContact CB-CE1 4.07Å; V153-Y216 HydrophobicContact CB-CE2 3.95Å; V153-Y216 HydrophobicContact CB-CG 4.35Å; V153-Y216 HydrophobicContact CG1-CD1 4.4Å; V153-Y216 HydrophobicContact CG1-CD2 3.93Å; V153-Y216 HydrophobicContact CG1-CE2 4.16Å; V153-Y216 HydrophobicContact CG1-CG 4.05Å; V153-Y216 HydrophobicContact CG2-CE2 3.97Å |
| 154 | L | 97.5 | Very high | 95.6 | Very high | 28 Ų | 28 | 39.8 Ų | 39.8 | 15% | 0.147 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 128 | 172.2 | -169.5 | 69.5 | 0 | 0 | 0 | 108.9 | V128 L129 K132 I156 V189 Y216 | V128-L154 HydrophobicContact CG1-CB 3.82Å; V128-L154 HydrophobicContact CG1-CD1 4.35Å; V128-L154 VanDerWaalsContact CG1-N 3.31Å; L129-L154 HydrophobicContact CD2-CD1 3.85Å; K132-L154 HydrophobicContact CB-CB 4.42Å; K132-L154 HydrophobicContact CD-CB 4.19Å; K132-L154 HydrophobicContact CD-CD2 3.51Å; K132-L154 HydrophobicContact CD-CG 4.49Å; K132-L154 PolarHBondContact O-N 2.91Å; L154-I156 VanDerWaalsContact C-N 3.27Å; L154-I156 HydrophobicContact CB-CD1 4.31Å; L154-I156 HydrophobicContact CB-CG1 4.06Å; L154-I156 HydrophobicContact CD2-CD1 4.17Å; L154-I156 HydrophobicContact CD2-CG1 3.82Å; L154-I156 HydrophobicContact CG-CG1 3.92Å; L154-I156 PolarHBondContact O-N 3.27Å; L154-V189 HydrophobicContact CD1-CG1 4Å; L154-V189 WeakPolarHBondContact CD1-O 3.46Å; L154-Y216 PolarHBondContact O-OH 2.88Å |
| 155 | N | 96 | Very high | 96.1 | Very high | 57 Ų | 57 | 40.2 Ų | 40.2 | 31% | 0.305 | 19% | 0.191 | S | C | . | . | trans | -76.3 | 76.8 | -179.3 | -172.7 | 14.4 | 0 | 0 | 0 | 111.1 | V153 K160 V189 D191 | V153-N155 PolarHBondContact O-N 2.96Å; N155-K160 PolarHBondContact OD1-NZ 2.78Å; N155-K160 VanDerWaalsContact OD1-NZ 3.13Å; N155-V189 WeakPolarHBondContact CB-O 3.43Å; N155-V189 PolarHBondContact N-O 3.3Å; N155-D191 WeakPolarHBondContact CB-OD2 2.84Å; N155-D191 PolarHBondContact OD1-OD2 3.45Å | ||
| 156 | I | 95.1 | Very high | 96.5 | Very high | 65 Ų | 65 | 39.4 Ų | 39.4 | 33% | 0.333 | 19% | 0.186 | S | C | . | . | trans | -88.6 | -30.1 | -179.2 | -53.2 | 164.1 | 0 | 0 | 0 | 111.3 | K132 L154 Y216 V220 F223 | K132-I156 HydrophobicContact CB-CD1 4.28Å; K132-I156 HydrophobicContact CD-CD1 3.98Å; K132-I156 HydrophobicContact CG-CD1 4.11Å; L154-I156 VanDerWaalsContact C-N 3.27Å; L154-I156 HydrophobicContact CB-CD1 4.31Å; L154-I156 HydrophobicContact CB-CG1 4.06Å; L154-I156 HydrophobicContact CD2-CD1 4.17Å; L154-I156 HydrophobicContact CD2-CG1 3.82Å; L154-I156 HydrophobicContact CG-CG1 3.92Å; L154-I156 PolarHBondContact O-N 3.27Å; I156-Y216 HydrophobicContact CD1-CE1 4.07Å; I156-V220 HydrophobicContact CG2-CG2 3.72Å; I156-F223 HydrophobicContact CD1-CE2 3.96Å; I156-F223 HydrophobicContact CD1-CZ 4.21Å | ||
| 157 | S | 94.6 | Very high | 96.6 | Very high | 30 Ų | 30 | 37.3 Ų | 37.3 | 21% | 0.21 | 18% | 0.176 | C | C | . | . | trans | -147.6 | 152.1 | -179.2 | -167 | 0 | 0 | 0 | 0 | 111.1 | N159 K160 | S157-N159 PolarHBondContact OG-O 2.81Å; S157-K160 WeakPolarHBondContact O-CD 3.4Å; S157-K160 PolarHBondContact O-NZ 2.9Å | ||
| 158 | Y | 93.9 | Very high | 96.6 | Very high | 220 Ų | 220 | 41.4 Ų | 41.4 | 86% | 0.863 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -69 | -47.2 | 170.9 | 179.2 | -98.1 | 0 | 0 | 0 | 111.3 | K160 | Y158-K160 PolarHBondContact O-N 2.79Š|
| 159 | N | 96.3 | Very high | 96.3 | Very high | 113 Ų | 113 | 41.4 Ų | 41.4 | 60% | 0.604 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -79.6 | 106.1 | 174.8 | -172.9 | -10.6 | 0 | 0 | 0 | 108.4 | S157 P219 | S157-N159 PolarHBondContact OG-O 2.81Å; N159-P219 HydrophobicContact CB-CG 4.43Å; N159-P219 WeakPolarHBondContact O-CD 3.17Å |
| 160 | K | 96.8 | Very high | 96.1 | Very high | 30 Ų | 30 | 50.5 Ų | 50.5 | 13% | 0.13 | 23% | 0.234 | C | C | . | . | trans | -152.9 | 153.7 | -178.3 | 60.3 | 177.5 | 170.3 | -80.4 | 0 | 111.1 | V153 N155 S157 Y158 D191 F193 Y216 E217 T218 | V153-K160 HydrophobicContact CG2-CD 4.29Å; N155-K160 PolarHBondContact OD1-NZ 2.78Å; N155-K160 VanDerWaalsContact OD1-NZ 3.13Å; S157-K160 WeakPolarHBondContact O-CD 3.4Å; S157-K160 PolarHBondContact O-NZ 2.9Å; Y158-K160 PolarHBondContact O-N 2.79Å; K160-D191 WeakPolarHBondContact CE-OD2 3.45Å; K160-D191 IonicContact NZ-OD2 3.92Å; K160-D191 PolarHBondContact NZ-OD2 3.25Å; K160-F193 HydrophobicContact CD-CE2 4.23Å; K160-F193 HydrophobicContact CD-CZ 4.11Å; K160-F193 HydrophobicContact CG-CZ 4.06Å; K160-Y216 HydrophobicContact CB-CE2 3.74Å; K160-Y216 HydrophobicContact CD-CE2 3.78Å; K160-Y216 VanDerWaalsContact CD-OH 3.32Å; K160-Y216 WeakPolarHBondContact CD-OH 3.39Å; K160-Y216 HydrophobicContact CG-CE2 4.25Å; K160-E217 CarbonylContact C-O 3.58Å; K160-E217 WeakPolarHBondContact CA-O 3.4Å; K160-T218 HydrophobicContact CB-CG2 4.03Å | ||
| 161 | S | 98.1 | Very high | 96 | Very high | 36 Ų | 36 | 53.8 Ų | 53.8 | 25% | 0.252 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 138.5 | 179 | -63.1 | 0 | 0 | 0 | 0 | 110.1 | E217 | S161-E217 PolarHBondContact N-O 2.81Å; S161-E217 PolarHBondContact O-N 3.19Å |
| 162 | V | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 125.7 | 177.3 | 178 | 0 | 0 | 0 | 0 | 107.7 | V151 V153 A179 F193 R215 Y216 | V151-V162 HydrophobicContact CB-CG1 4.41Å; V151-V162 HydrophobicContact CG1-CG1 3.99Å; V153-V162 HydrophobicContact CG1-CG2 3.58Å; V162-A179 HydrophobicContact CB-CB 4.05Å; V162-A179 HydrophobicContact CG1-CB 4Å; V162-A179 WeakPolarHBondContact O-CB 3.24Å; V162-A179 PolarHBondContact O-N 2.83Å; V162-F193 HydrophobicContact CB-CB 4.22Å; V162-F193 HydrophobicContact CB-CD1 4.04Å; V162-F193 HydrophobicContact CB-CG 4.02Å; V162-F193 HydrophobicContact CG1-CB 4.44Å; V162-F193 HydrophobicContact CG2-CB 4.24Å; V162-F193 HydrophobicContact CG2-CD1 3.91Å; V162-F193 HydrophobicContact CG2-CD2 3.74Å; V162-F193 HydrophobicContact CG2-CE1 4.2Å; V162-F193 HydrophobicContact CG2-CE2 4.06Å; V162-F193 HydrophobicContact CG2-CG 3.68Å; V162-F193 HydrophobicContact CG2-CZ 4.28Å; V162-R215 CarbonylContact C-O 3.49Å; V162-R215 WeakPolarHBondContact CA-O 3.04Å; V162-Y216 HydrophobicContact CG2-CD2 3.86Å; V162-Y216 HydrophobicContact CG2-CE2 4.4Å |
| 163 | Y | 98.4 | Very high | 95.8 | Very high | 55 Ų | 55 | 60.7 Ų | 60.7 | 22% | 0.216 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 143 | 175.6 | -58.7 | -94.9 | 0 | 0 | 0 | 110.2 | D176 L177 L178 R215 E217 | Y163-D176 HydrophobicContact CD1-CB 4.4Å; Y163-L177 CarbonylContact C-O 3.58Å; Y163-L177 VanDerWaalsContact CA-O 3.23Å; Y163-L177 WeakPolarHBondContact CA-O 3.35Å; Y163-L178 HydrophobicContact CD1-CB 4.36Å; Y163-L178 HydrophobicContact CD1-CD1 4.07Å; Y163-L178 HydrophobicContact CE1-CB 4.28Å; Y163-L178 HydrophobicContact CE1-CD1 3.68Å; Y163-L178 HydrophobicContact CE2-CD1 4.42Å; Y163-R215 PolarHBondContact N-O 3.47Å; Y163-R215 PolarHBondContact O-N 2.76Å; Y163-E217 HydrophobicContact CE2-CG 4.44Å; Y163-E217 VanDerWaalsContact CE2-OE2 3.22Å; Y163-E217 WeakPolarHBondContact CE2-OE2 3.15Å |
| 164 | V | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 102.4 | 171.3 | -173.8 | 0 | 0 | 0 | 0 | 107.4 | T166 L177 F195 F212 L214 | V164-T166 PolarHBondContact O-N 3.23Å; V164-T166 PolarHBondContact O-OG1 2.82Å; V164-L177 HydrophobicContact CB-CB 4.37Å; V164-L177 PolarHBondContact N-O 2.94Å; V164-L177 PolarHBondContact O-N 3.28Å; V164-F195 HydrophobicContact CB-CD2 4.38Å; V164-F195 HydrophobicContact CB-CG 4.37Å; V164-F195 HydrophobicContact CG1-CD2 4.31Å; V164-F195 HydrophobicContact CG1-CE1 4.43Å; V164-F195 HydrophobicContact CG1-CE2 4.03Å; V164-F195 HydrophobicContact CG1-CZ 4.08Å; V164-F195 HydrophobicContact CG2-CB 4.08Å; V164-F195 HydrophobicContact CG2-CD1 3.52Å; V164-F195 HydrophobicContact CG2-CD2 4.1Å; V164-F195 HydrophobicContact CG2-CE1 3.83Å; V164-F195 HydrophobicContact CG2-CE2 4.41Å; V164-F195 HydrophobicContact CG2-CG 3.64Å; V164-F195 HydrophobicContact CG2-CZ 4.27Å; V164-F212 HydrophobicContact CG1-CB 3.92Å; V164-F212 HydrophobicContact CG1-CD2 3.81Å; V164-F212 HydrophobicContact CG1-CG 4.11Å; V164-L214 HydrophobicContact CB-CD2 4.47Å; V164-L214 HydrophobicContact CG1-CD2 4.21Å; V164-L214 HydrophobicContact CG2-CD2 3.85Å |
| 165 | R | 97.8 | Very high | 95.7 | Very high | 58 Ų | 58 | 68 Ų | 68 | 22% | 0.219 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 120.3 | 174.7 | 179.5 | 166.9 | -70.1 | -179.5 | -0.9 | 108.3 | W171 H174 F175 D176 F212 C213 W224 | R165-W171 HydrophobicContact CG-CH2 4.05Å; R165-W171 HydrophobicContact CG-CZ3 3.67Å; R165-H174 HydrophobicContact CG-CB 4.13Å; R165-F175 WeakPolarHBondContact CA-O 3.35Å; R165-D176 WeakPolarHBondContact CA-OD1 3.07Å; R165-D176 WeakPolarHBondContact CB-OD1 3.3Å; R165-D176 WeakPolarHBondContact CG-OD1 3.4Å; R165-D176 IonicContact CZ-OD1 3.6Å; R165-D176 IonicContact CZ-OD2 3.63Å; R165-D176 IonicContact NE-OD1 2.76Å; R165-D176 PolarHBondContact NE-OD1 2.88Å; R165-D176 IonicContact NE-OD2 3.55Å; R165-D176 IonicContact NH2-OD1 3.55Å; R165-D176 IonicContact NH2-OD2 2.83Å; R165-D176 PolarHBondContact NH2-OD2 2.78Å; R165-F212 CarbonylContact O-C 3.43Å; R165-F212 WeakPolarHBondContact O-CA 3.28Å; R165-F212 VanDerWaalsContact O-CB 3.27Å; R165-F212 WeakPolarHBondContact O-CB 3.49Å; R165-C213 PolarHBondContact N-O 2.9Å; R165-C213 PolarHBondContact O-N 2.96Å; R165-W224 HydrophobicContact CB-CZ3 4.42Å |
| 166 | T | 96.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.006 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 144.4 | -171.1 | -55 | 0 | 0 | 0 | 0 | 110.4 | V164 H174 F175 L197 V210 D211 | V164-T166 PolarHBondContact O-N 3.23Å; V164-T166 PolarHBondContact O-OG1 2.82Å; T166-H174 CarbonylContact O-C 3.53Å; T166-H174 WeakPolarHBondContact O-CA 3.19Å; T166-F175 HydrophobicContact CG2-CE1 4.06Å; T166-F175 HydrophobicContact CG2-CE2 4.3Å; T166-F175 HydrophobicContact CG2-CZ 3.66Å; T166-F175 PolarHBondContact N-O 3.27Å; T166-F175 PolarHBondContact O-N 2.94Å; T166-L197 HydrophobicContact CG2-CD2 3.79Å; T166-V210 HydrophobicContact CG2-CG1 3.75Å; T166-D211 CarbonylContact C-O 3.59Å; T166-D211 VanDerWaalsContact CA-O 3.32Å; T166-D211 WeakPolarHBondContact CA-O 3.2Å |
| 167 | S | 95.5 | Very high | 96 | Very high | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.007 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 144.3 | 170.8 | 174.3 | 0 | 0 | 0 | 0 | 110.3 | D169 W171 T173 D211 | S167-D169 PolarHBondContact OG-N 2.85Å; S167-D169 PolarHBondContact OG-OD1 3.06Å; S167-W171 VanDerWaalsContact OG-CA 3.28Å; S167-W171 WeakPolarHBondContact OG-CA 3.38Å; S167-W171 PolarHBondContact OG-N 2.79Å; S167-T173 WeakPolarHBondContact CB-O 3.4Å; S167-T173 PolarHBondContact OG-O 2.92Å; S167-D211 PolarHBondContact N-O 2.87Å; S167-D211 PolarHBondContact O-N 2.83Å |
| 168 | L | 92.9 | Very high | 96.1 | Very high | 85 Ų | 85 | 70.5 Ų | 70.5 | 45% | 0.445 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -112.2 | 1 | 176.7 | -57.3 | 179.3 | 0 | 0 | 0 | 112.3 | F175 L199 V208 V210 | L168-F175 HydrophobicContact CG-CE1 4.47Å; L168-L199 HydrophobicContact CD2-CD2 4.24Å; L168-V208 HydrophobicContact CD2-CG1 4.19Å; L168-V210 HydrophobicContact CD2-CB 4.25Å; L168-V210 HydrophobicContact CD2-CG1 4.12Å; L168-V210 HydrophobicContact CD2-CG2 3.85Å |
| 169 | D | 91.1 | Very high | 96.3 | Very high | 56 Ų | 56 | 60.3 Ų | 60.3 | 30% | 0.299 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -134 | 29.9 | -170.3 | 63.9 | 0.2 | 0 | 0 | 0 | 112.5 | S167 A172 T173 | S167-D169 PolarHBondContact OG-N 2.85Å; S167-D169 PolarHBondContact OG-OD1 3.06Å; D169-A172 HydrophobicContact CB-CB 4.39Å; D169-A172 PolarHBondContact OD1-N 2.8Å; D169-A172 VanDerWaalsContact OD1-N 3.13Å; D169-T173 VanDerWaalsContact CG-N 3.26Å; D169-T173 VanDerWaalsContact CG-OG1 3.29Å; D169-T173 PolarHBondContact OD1-N 3.49Å; D169-T173 VanDerWaalsContact OD1-O 3.06Å; D169-T173 PolarHBondContact OD1-OG1 2.77Å; D169-T173 VanDerWaalsContact OD2-CB 3.31Å; D169-T173 WeakPolarHBondContact OD2-CB 3.28Å; D169-T173 WeakPolarHBondContact OD2-CG2 3.43Å; D169-T173 PolarHBondContact OD2-N 2.91Å; D169-T173 PolarHBondContact OD2-OG1 3.46Å |
| 170 | R | 92 | Very high | 96.4 | Very high | 191 Ų | 191 | 61.5 Ų | 61.5 | 72% | 0.721 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 44.9 | -179.5 | -45.6 | -173.2 | 178.8 | 81.2 | 0.1 | 113.1 | A172 | R170-A172 VanDerWaalsContact C-N 3.29Å; R170-A172 PolarHBondContact O-N 2.83Å |
| 171 | W | 95.1 | Very high | 96.5 | Very high | 80 Ų | 80 | 64.9 Ų | 64.9 | 30% | 0.303 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 14.5 | 177.4 | -58.4 | 94.3 | 0 | 0 | 0 | 115.6 | R165 S167 T173 H174 D211 C213 N231 | R165-W171 HydrophobicContact CG-CH2 4.05Å; R165-W171 HydrophobicContact CG-CZ3 3.67Å; S167-W171 VanDerWaalsContact OG-CA 3.28Å; S167-W171 WeakPolarHBondContact OG-CA 3.38Å; S167-W171 PolarHBondContact OG-N 2.79Å; W171-T173 VanDerWaalsContact C-N 3.34Å; W171-H174 HydrophobicContact CE3-CB 4.33Å; W171-H174 HydrophobicContact CZ3-CB 4.32Å; W171-D211 HydrophobicContact CZ2-CB 4.12Å; W171-C213 HydrophobicContact CH2-CB 4.33Å; W171-C213 VanDerWaalsContact CH2-SG 3.52Å; W171-N231 HydrophobicContact CZ2-CB 4.49Å; W171-N231 PolarHBondContact NE1-ND2 2.8Å |
| 172 | A | 94.1 | Very high | 96.4 | Very high | 81 Ų | 81 | 63.9 Ų | 63.9 | 67% | 0.669 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -68.4 | -38.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | D169 R170 | D169-A172 HydrophobicContact CB-CB 4.39Å; D169-A172 PolarHBondContact OD1-N 2.8Å; D169-A172 VanDerWaalsContact OD1-N 3.13Å; R170-A172 VanDerWaalsContact C-N 3.29Å; R170-A172 PolarHBondContact O-N 2.83Å |
| 173 | T | 95.7 | Very high | 96.2 | Very high | 88 Ų | 88 | 69.1 Ų | 69.1 | 54% | 0.54 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -127.9 | 155.6 | 167.3 | 66.6 | 0 | 0 | 0 | 0 | 110.3 | S167 D169 W171 | S167-T173 WeakPolarHBondContact CB-O 3.4Å; S167-T173 PolarHBondContact OG-O 2.92Å; D169-T173 VanDerWaalsContact CG-N 3.26Å; D169-T173 VanDerWaalsContact CG-OG1 3.29Å; D169-T173 PolarHBondContact OD1-N 3.49Å; D169-T173 VanDerWaalsContact OD1-O 3.06Å; D169-T173 PolarHBondContact OD1-OG1 2.77Å; D169-T173 VanDerWaalsContact OD2-CB 3.31Å; D169-T173 WeakPolarHBondContact OD2-CB 3.28Å; D169-T173 WeakPolarHBondContact OD2-CG2 3.43Å; D169-T173 PolarHBondContact OD2-N 2.91Å; D169-T173 PolarHBondContact OD2-OG1 3.46Å; W171-T173 VanDerWaalsContact C-N 3.34Å |
| 174 | H | 96.9 | Very high | 95.8 | Very high | 102 Ų | 102 | 70.3 Ų | 70.3 | 47% | 0.472 | 37% | 0.372 | S | S | . | . | trans | -147.2 | 156.8 | 177 | 63.7 | -82.4 | 0 | 0 | 0 | 111.1 | R165 T166 W171 | R165-H174 HydrophobicContact CG-CB 4.13Å; T166-H174 CarbonylContact O-C 3.53Å; T166-H174 WeakPolarHBondContact O-CA 3.19Å; W171-H174 HydrophobicContact CE3-CB 4.33Å; W171-H174 HydrophobicContact CZ3-CB 4.32Å | ||
| 175 | F | 97.2 | Very high | 95.5 | Very high | 78 Ų | 78 | 71.2 Ų | 71.2 | 34% | 0.342 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 153.6 | 172.5 | 61.5 | -86.7 | 0 | 0 | 0 | 109.9 | R165 T166 L168 L177 L197 | R165-F175 WeakPolarHBondContact CA-O 3.35Å; T166-F175 HydrophobicContact CG2-CE1 4.06Å; T166-F175 HydrophobicContact CG2-CE2 4.3Å; T166-F175 HydrophobicContact CG2-CZ 3.66Å; T166-F175 PolarHBondContact N-O 3.27Å; T166-F175 PolarHBondContact O-N 2.94Å; L168-F175 HydrophobicContact CG-CE1 4.47Å; F175-L177 HydrophobicContact CD2-CD2 4.05Å; F175-L177 HydrophobicContact CD2-CG 4.07Å; F175-L177 HydrophobicContact CE2-CD1 4.07Å; F175-L177 HydrophobicContact CE2-CD2 3.89Å; F175-L177 HydrophobicContact CE2-CG 3.82Å; F175-L197 HydrophobicContact CE2-CD1 3.82Å; F175-L197 HydrophobicContact CZ-CD1 3.64Å |
| 176 | D | 97.8 | Very high | 95.2 | Very high | 55 Ų | 55 | 70.8 Ų | 70.8 | 29% | 0.294 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 127.7 | -177.9 | -67 | -11.3 | 0 | 0 | 0 | 109.8 | Y163 R165 R215 | Y163-D176 HydrophobicContact CD1-CB 4.4Å; R165-D176 WeakPolarHBondContact CA-OD1 3.07Å; R165-D176 WeakPolarHBondContact CB-OD1 3.3Å; R165-D176 WeakPolarHBondContact CG-OD1 3.4Å; R165-D176 IonicContact CZ-OD1 3.6Å; R165-D176 IonicContact CZ-OD2 3.63Å; R165-D176 IonicContact NE-OD1 2.76Å; R165-D176 PolarHBondContact NE-OD1 2.88Å; R165-D176 IonicContact NE-OD2 3.55Å; R165-D176 IonicContact NH2-OD1 3.55Å; R165-D176 IonicContact NH2-OD2 2.83Å; R165-D176 PolarHBondContact NH2-OD2 2.78Å; D176-R215 IonicContact OD2-CZ 3.88Å; D176-R215 IonicContact OD2-NH2 3.92Å |
| 177 | L | 97.8 | Very high | 94.8 | Very high | 42 Ų | 42 | 75 Ų | 75 | 22% | 0.22 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 126.5 | 171.2 | -62.8 | 175 | 0 | 0 | 0 | 109.3 | Y163 V164 F175 A179 L197 | Y163-L177 CarbonylContact C-O 3.58Å; Y163-L177 VanDerWaalsContact CA-O 3.23Å; Y163-L177 WeakPolarHBondContact CA-O 3.35Å; V164-L177 HydrophobicContact CB-CB 4.37Å; V164-L177 PolarHBondContact N-O 2.94Å; V164-L177 PolarHBondContact O-N 3.28Å; F175-L177 HydrophobicContact CD2-CD2 4.05Å; F175-L177 HydrophobicContact CD2-CG 4.07Å; F175-L177 HydrophobicContact CE2-CD1 4.07Å; F175-L177 HydrophobicContact CE2-CD2 3.89Å; F175-L177 HydrophobicContact CE2-CG 3.82Å; L177-A179 PolarHBondContact O-N 3.34Å; L177-L197 HydrophobicContact CD1-CB 3.83Å; L177-L197 HydrophobicContact CD1-CD1 3.93Å; L177-L197 HydrophobicContact CD1-CG 4.39Å |
| 178 | L | 98.3 | Very high | 94.5 | Very high | 108 Ų | 108 | 77.5 Ų | 77.5 | 57% | 0.565 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 125.8 | 169.7 | -177.5 | 65.9 | 0 | 0 | 0 | 109 | Y163 | Y163-L178 HydrophobicContact CD1-CB 4.36Å; Y163-L178 HydrophobicContact CD1-CD1 4.07Å; Y163-L178 HydrophobicContact CE1-CB 4.28Å; Y163-L178 HydrophobicContact CE1-CD1 3.68Å; Y163-L178 HydrophobicContact CE2-CD1 4.42Å |
| 179 | A | 98.3 | Very high | 94.6 | Very high | 6 Ų | 6 | 76.9 Ų | 76.9 | 5% | 0.05 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 144.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | V162 L177 F193 S194 F195 | V162-A179 HydrophobicContact CB-CB 4.05Å; V162-A179 HydrophobicContact CG1-CB 4Å; V162-A179 WeakPolarHBondContact O-CB 3.24Å; V162-A179 PolarHBondContact O-N 2.83Å; L177-A179 PolarHBondContact O-N 3.34Å; A179-F193 HydrophobicContact CB-CB 3.97Å; A179-S194 CarbonylContact C-O 3.58Å; A179-S194 WeakPolarHBondContact CA-O 3.28Å; A179-F195 HydrophobicContact CB-CB 4.09Å |
| 180 | E | 98.1 | Very high | 94.8 | Very high | 139 Ų | 139 | 74.8 Ų | 74.8 | 65% | 0.65 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 135.2 | -177.8 | -64.6 | 178 | 170 | 0 | 0 | 110.1 | V182 F193 S194 | E180-V182 PolarHBondContact O-N 2.93Å; E180-F193 CarbonylContact O-C 3.52Å; E180-F193 VanDerWaalsContact O-CA 3.24Å; E180-F193 WeakPolarHBondContact O-CA 3.46Å; E180-S194 PolarHBondContact N-O 2.83Å; E180-S194 PolarHBondContact O-N 2.88Å |
| 181 | Y | 97.8 | Very high | 95.1 | Very high | 100 Ų | 100 | 65.9 Ų | 65.9 | 39% | 0.392 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 136.8 | 173.1 | 174.7 | -111 | 0 | 0 | 0 | 110.4 | P183 D191 F193 | Y181-P183 WeakPolarHBondContact O-CD 3.05Å; Y181-D191 HydrophobicContact CD2-CB 4.4Å; Y181-D191 HydrophobicContact CE2-CB 3.94Å; Y181-F193 HydrophobicContact CD2-CE1 4.39Å; Y181-F193 HydrophobicContact CD2-CE2 4.05Å; Y181-F193 AromaticContact CD2-CZ 3.95Å; Y181-F193 HydrophobicContact CD2-CZ 3.95Å; Y181-F193 HydrophobicContact CG-CZ 4.49Å |
| 182 | V | 96.5 | Very high | 95.2 | Very high | 15 Ų | 15 | 62.4 Ų | 62.4 | 9% | 0.091 | 38% | 0.376 | C | S | . | . | trans | -91.1 | 112.4 | 175.3 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | W87 E180 G184 S185 S192 | W87-V182 HydrophobicContact CH2-CG1 3.71Å; W87-V182 HydrophobicContact CZ2-CG1 3.87Å; E180-V182 PolarHBondContact O-N 2.93Å; V182-G184 PolarHBondContact O-N 2.89Å; V182-S185 VanDerWaalsContact O-CB 3.23Å; V182-S185 WeakPolarHBondContact O-CB 3.07Å; V182-S185 PolarHBondContact O-N 2.89Å; V182-S185 PolarHBondContact O-OG 3.29Å; V182-S192 PolarHBondContact N-O 3.03Å | ||
| 183 | P | 93.4 | Very high | 95.4 | Very high | 111 Ų | 111 | 59 Ų | 59 | 72% | 0.721 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | 137.5 | -178.5 | -24 | 35.1 | 0 | 0 | 0 | 112.4 | Y181 S185 | Y181-P183 WeakPolarHBondContact O-CD 3.05Å; P183-S185 PolarHBondContact O-N 2.84Å |
| 184 | G | 91.2 | Very high | 95.5 | Very high | 79 Ų | 79 | 55.9 Ų | 55.9 | 81% | 0.814 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.4 | 5.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | V182 S186 | V182-G184 PolarHBondContact O-N 2.89Å; G184-S186 VanDerWaalsContact C-N 3.31Å |
| 185 | S | 90.9 | Very high | 95.5 | Very high | 20 Ų | 20 | 51.3 Ų | 51.3 | 14% | 0.14 | 31% | 0.307 | C | S | . | . | trans | -82.2 | -7.3 | 179.9 | 67.1 | 0 | 0 | 0 | 0 | 115 | R152 V182 P183 D187 S192 | R152-S185 PolarHBondContact NH1-O 2.98Å; V182-S185 VanDerWaalsContact O-CB 3.23Å; V182-S185 WeakPolarHBondContact O-CB 3.07Å; V182-S185 PolarHBondContact O-N 2.89Å; V182-S185 PolarHBondContact O-OG 3.29Å; P183-S185 PolarHBondContact O-N 2.84Å; S185-D187 PolarHBondContact O-N 3.05Å; S185-S192 WeakPolarHBondContact OG-CB 3.48Å; S185-S192 PolarHBondContact OG-N 2.94Å; S185-S192 VanDerWaalsContact OG-N 3.09Å; S185-S192 PolarHBondContact OG-O 2.8Å | ||
| 186 | S | 91.1 | Very high | 95.5 | Very high | 49 Ų | 49 | 53.8 Ų | 53.8 | 34% | 0.343 | 32% | 0.317 | S | S | . | . | trans | -72.9 | 123.6 | -178.2 | -157.4 | 0 | 0 | 0 | 0 | 110.2 | G184 G188 M190 D191 | G184-S186 VanDerWaalsContact C-N 3.31Å; S186-G188 VanDerWaalsContact C-N 3.3Å; S186-M190 WeakPolarHBondContact CA-O 3.32Å; S186-D191 WeakPolarHBondContact CB-OD1 3.17Å; S186-D191 PolarHBondContact OG-OD1 3.27Å | ||
| 187 | D | 88.7 | Confident | 95.4 | Very high | 88 Ų | 88 | 51.6 Ų | 51.6 | 47% | 0.471 | 31% | 0.306 | S | S | . | . | trans | -95.3 | 11.5 | 169.5 | 62.5 | 12.8 | 0 | 0 | 0 | 111.9 | R152 S185 V189 M190 | R152-D187 IonicContact NH2-OD1 3.19Å; R152-D187 IonicContact NH2-OD2 3.75Å; R152-D187 PolarHBondContact NH2-OD2 3.5Å; S185-D187 PolarHBondContact O-N 3.05Å; D187-V189 PolarHBondContact O-N 3.4Å; D187-V189 WeakPolarHBondContact OD1-CA 3.33Å; D187-V189 PolarHBondContact OD1-N 3.11Å; D187-M190 PolarHBondContact N-O 3.03Å; D187-M190 PolarHBondContact OD1-N 2.81Å; D187-M190 WeakPolarHBondContact OD2-CE 3.32Å | ||
| 188 | G | 90.4 | Very high | 95.2 | Very high | 55 Ų | 55 | 54 Ų | 54 | 57% | 0.567 | 32% | 0.323 | S | S | * | . | S | Bend | trans | 85.5 | -24.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S186 | S186-G188 VanDerWaalsContact C-N 3.3Š|
| 189 | V | 94.1 | Very high | 94.7 | Very high | 71 Ų | 71 | 49 Ų | 49 | 43% | 0.43 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -102.6 | -40.7 | 179.5 | -176.8 | 0 | 0 | 0 | 0 | 111 | L125 L154 N155 D187 | L125-V189 HydrophobicContact CD1-CG1 4.45Å; L154-V189 HydrophobicContact CD1-CG1 4Å; L154-V189 WeakPolarHBondContact CD1-O 3.46Å; N155-V189 WeakPolarHBondContact CB-O 3.43Å; N155-V189 PolarHBondContact N-O 3.3Å; D187-V189 PolarHBondContact O-N 3.4Å; D187-V189 WeakPolarHBondContact OD1-CA 3.33Å; D187-V189 PolarHBondContact OD1-N 3.11Å |
| 190 | M | 96.3 | Very high | 93.8 | Very high | 12 Ų | 12 | 51.5 Ų | 51.5 | 6% | 0.059 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 148.3 | -174.1 | -61.9 | -176.8 | -70.3 | 0 | 0 | 110.9 | L125 V128 V153 S186 D187 | L125-M190 HydrophobicContact CB-CE 4.2Å; L125-M190 HydrophobicContact CD1-CE 3.56Å; L125-M190 HydrophobicContact CD1-SD 3.78Å; L125-M190 HydrophobicContact CG-CE 4.46Å; V128-M190 HydrophobicContact CB-SD 3.79Å; V128-M190 HydrophobicContact CG1-CG 3.84Å; V128-M190 HydrophobicContact CG1-SD 3.74Å; V128-M190 HydrophobicContact CG2-SD 4.03Å; V153-M190 CarbonylContact O-C 3.54Å; V153-M190 WeakPolarHBondContact O-CA 3.24Å; V153-M190 WeakPolarHBondContact O-CB 3.42Å; S186-M190 WeakPolarHBondContact CA-O 3.32Å; D187-M190 PolarHBondContact N-O 3.03Å; D187-M190 PolarHBondContact OD1-N 2.81Å; D187-M190 WeakPolarHBondContact OD2-CE 3.32Å |
| 191 | D | 96.9 | Very high | 92.3 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 147.6 | 173.1 | -70.4 | -47.4 | 0 | 0 | 0 | 110.3 | R152 V153 N155 K160 Y181 S186 F193 | R152-D191 WeakPolarHBondContact CA-O 3.49Å; V153-D191 HydrophobicContact CG2-CB 3.99Å; V153-D191 PolarHBondContact N-O 3.15Å; V153-D191 PolarHBondContact O-N 3.18Å; N155-D191 WeakPolarHBondContact CB-OD2 2.84Å; N155-D191 PolarHBondContact OD1-OD2 3.45Å; K160-D191 WeakPolarHBondContact CE-OD2 3.45Å; K160-D191 IonicContact NZ-OD2 3.92Å; K160-D191 PolarHBondContact NZ-OD2 3.25Å; Y181-D191 HydrophobicContact CD2-CB 4.4Å; Y181-D191 HydrophobicContact CE2-CB 3.94Å; S186-D191 WeakPolarHBondContact CB-OD1 3.17Å; S186-D191 PolarHBondContact OG-OD1 3.27Å; D191-F193 HydrophobicContact CB-CD2 4.48Å; D191-F193 HydrophobicContact CB-CE2 3.92Å |
| 192 | S | 97.1 | Very high | 90.5 | Very high | 7 Ų | 7 | 49.9 Ų | 49.9 | 5% | 0.049 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 137.6 | 171.1 | -60.6 | 0 | 0 | 0 | 0 | 111.8 | V151 R152 V182 S185 | V151-S192 WeakPolarHBondContact O-CA 3.46Å; R152-S192 WeakPolarHBondContact CD-OG 3.32Å; R152-S192 PolarHBondContact NH1-OG 3.39Å; V182-S192 PolarHBondContact N-O 3.03Å; S185-S192 WeakPolarHBondContact OG-CB 3.48Å; S185-S192 PolarHBondContact OG-N 2.94Å; S185-S192 VanDerWaalsContact OG-N 3.09Å; S185-S192 PolarHBondContact OG-O 2.8Å |
| 193 | F | 98.3 | Very high | 89.2 | Confident | 10 Ų | 10 | 49.8 Ų | 49.8 | 4% | 0.044 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 148 | 170.7 | -72.5 | -103.7 | 0 | 0 | 0 | 109.1 | V150 V151 V153 K160 V162 A179 E180 Y181 D191 | V150-F193 CarbonylContact C-O 3.6Å; V150-F193 WeakPolarHBondContact CA-O 3.42Å; V151-F193 PolarHBondContact N-O 2.71Å; V151-F193 PolarHBondContact O-N 3.06Å; V153-F193 HydrophobicContact CG1-CD2 4.49Å; V153-F193 HydrophobicContact CG2-CD2 3.8Å; V153-F193 HydrophobicContact CG2-CE2 3.55Å; K160-F193 HydrophobicContact CD-CE2 4.23Å; K160-F193 HydrophobicContact CD-CZ 4.11Å; K160-F193 HydrophobicContact CG-CZ 4.06Å; V162-F193 HydrophobicContact CB-CB 4.22Å; V162-F193 HydrophobicContact CB-CD1 4.04Å; V162-F193 HydrophobicContact CB-CG 4.02Å; V162-F193 HydrophobicContact CG1-CB 4.44Å; V162-F193 HydrophobicContact CG2-CB 4.24Å; V162-F193 HydrophobicContact CG2-CD1 3.91Å; V162-F193 HydrophobicContact CG2-CD2 3.74Å; V162-F193 HydrophobicContact CG2-CE1 4.2Å; V162-F193 HydrophobicContact CG2-CE2 4.06Å; V162-F193 HydrophobicContact CG2-CG 3.68Å; V162-F193 HydrophobicContact CG2-CZ 4.28Å; A179-F193 HydrophobicContact CB-CB 3.97Å; E180-F193 CarbonylContact O-C 3.52Å; E180-F193 VanDerWaalsContact O-CA 3.24Å; E180-F193 WeakPolarHBondContact O-CA 3.46Å; Y181-F193 HydrophobicContact CD2-CE1 4.39Å; Y181-F193 HydrophobicContact CD2-CE2 4.05Å; Y181-F193 AromaticContact CD2-CZ 3.95Å; Y181-F193 HydrophobicContact CD2-CZ 3.95Å; Y181-F193 HydrophobicContact CG-CZ 4.49Å; D191-F193 HydrophobicContact CB-CD2 4.48Å; D191-F193 HydrophobicContact CB-CE2 3.92Å |
| 194 | S | 98 | Very high | 87.8 | Confident | 22 Ų | 22 | 46.9 Ų | 46.9 | 15% | 0.154 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 145.8 | 177.1 | 76.6 | 0 | 0 | 0 | 0 | 111.4 | G149 A179 E180 | G149-S194 VanDerWaalsContact O-CA 3.28Å; G149-S194 WeakPolarHBondContact O-CA 3.45Å; A179-S194 CarbonylContact C-O 3.58Å; A179-S194 WeakPolarHBondContact CA-O 3.28Å; E180-S194 PolarHBondContact N-O 2.83Å; E180-S194 PolarHBondContact O-N 2.88Å |
| 195 | F | 98 | Very high | 86.6 | Confident | 7 Ų | 7 | 51.1 Ų | 51.1 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 156.5 | 175.6 | 69.2 | -85.3 | 0 | 0 | 0 | 110.1 | L135 I138 K148 G149 V151 V164 A179 F212 | L135-F195 HydrophobicContact CD1-CE1 4.3Å; I138-F195 HydrophobicContact CD1-CZ 4.04Å; K148-F195 WeakPolarHBondContact CA-O 3.23Å; G149-F195 VanDerWaalsContact CA-CE1 3.43Å; G149-F195 PolarHBondContact N-O 3.47Å; G149-F195 VanDerWaalsContact N-O 3.09Å; G149-F195 PolarHBondContact O-N 2.97Å; V151-F195 HydrophobicContact CG2-CD1 4.12Å; V151-F195 HydrophobicContact CG2-CE1 4Å; V164-F195 HydrophobicContact CB-CD2 4.38Å; V164-F195 HydrophobicContact CB-CG 4.37Å; V164-F195 HydrophobicContact CG1-CD2 4.31Å; V164-F195 HydrophobicContact CG1-CE1 4.43Å; V164-F195 HydrophobicContact CG1-CE2 4.03Å; V164-F195 HydrophobicContact CG1-CZ 4.08Å; V164-F195 HydrophobicContact CG2-CB 4.08Å; V164-F195 HydrophobicContact CG2-CD1 3.52Å; V164-F195 HydrophobicContact CG2-CD2 4.1Å; V164-F195 HydrophobicContact CG2-CE1 3.83Å; V164-F195 HydrophobicContact CG2-CE2 4.41Å; V164-F195 HydrophobicContact CG2-CG 3.64Å; V164-F195 HydrophobicContact CG2-CZ 4.27Å; A179-F195 HydrophobicContact CB-CB 4.09Å; F195-F212 HydrophobicContact CZ-CE2 4.48Å |
| 196 | K | 97 | Very high | 85.6 | Confident | 129 Ų | 129 | 58.5 Ų | 58.5 | 56% | 0.561 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 128.6 | 174.1 | -65.6 | 176.5 | -173.1 | 168.5 | 0 | 109 | I146 L147 | I146-K196 HydrophobicContact CG2-CB 4.04Å; I146-K196 HydrophobicContact CG2-CG 4.38Å; L147-K196 CarbonylContact O-C 3.47Å; L147-K196 VanDerWaalsContact O-CA 3.28Å; L147-K196 WeakPolarHBondContact O-CA 3.27Å |
| 197 | L | 95.4 | Very high | 85.3 | Confident | 9 Ų | 9 | 57 Ų | 57 | 5% | 0.047 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 119.4 | 173.8 | 169.2 | 66.9 | 0 | 0 | 0 | 108.5 | I146 L147 T166 F175 L177 L199 V210 | I146-L197 CarbonylContact C-O 3.58Å; I146-L197 WeakPolarHBondContact CA-O 3.04Å; L147-L197 HydrophobicContact CB-CB 4.23Å; L147-L197 HydrophobicContact CD2-CD2 4.12Å; L147-L197 PolarHBondContact N-O 2.84Å; L147-L197 PolarHBondContact O-N 2.65Å; T166-L197 HydrophobicContact CG2-CD2 3.79Å; F175-L197 HydrophobicContact CE2-CD1 3.82Å; F175-L197 HydrophobicContact CZ-CD1 3.64Å; L177-L197 HydrophobicContact CD1-CB 3.83Å; L177-L197 HydrophobicContact CD1-CD1 3.93Å; L177-L197 HydrophobicContact CD1-CG 4.39Å; L197-L199 HydrophobicContact CD2-CD2 3.76Å; L197-L199 HydrophobicContact CG-CD2 3.94Å; L197-V210 HydrophobicContact CD2-CG1 3.8Å |
| 198 | T | 93.2 | Very high | 85.3 | Confident | 94 Ų | 94 | 54.3 Ų | 54.3 | 58% | 0.577 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | 116.1 | 175.4 | -55.7 | 0 | 0 | 0 | 0 | 109.2 | I146 | I146-T198 HydrophobicContact CG1-CG2 4.27Å |
| 199 | L | 88.6 | Confident | 85.4 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.016 | 33% | 0.328 | C | S | . | . | trans | -85 | 115.9 | 173.7 | -56.6 | 177 | 0 | 0 | 0 | 108.8 | T145 L168 L197 P201 F203 V208 V210 C236 | T145-L199 WeakPolarHBondContact CB-O 3.05Å; T145-L199 WeakPolarHBondContact O-CB 3.4Å; T145-L199 PolarHBondContact O-N 2.61Å; T145-L199 PolarHBondContact OG1-O 2.88Å; L168-L199 HydrophobicContact CD2-CD2 4.24Å; L197-L199 HydrophobicContact CD2-CD2 3.76Å; L197-L199 HydrophobicContact CG-CD2 3.94Å; L199-P201 WeakPolarHBondContact O-CD 3.31Å; L199-F203 HydrophobicContact CB-CE1 3.78Å; L199-F203 HydrophobicContact CB-CZ 3.8Å; L199-F203 HydrophobicContact CD1-CE1 4.26Å; L199-V208 HydrophobicContact CD2-CG1 4.4Å; L199-V210 HydrophobicContact CD1-CG2 3.99Å; L199-V210 HydrophobicContact CD2-CG2 3.67Å; L199-C236 HydrophobicContact CD1-CB 3.65Å | ||
| 200 | G | 78.5 | Confident | 85.4 | Confident | 58 Ų | 58 | 52.3 Ų | 52.3 | 60% | 0.598 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -74 | 123.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 201 | P | 66 | Low | 85.4 | Confident | 85 Ų | 85 | 51.9 Ų | 51.9 | 55% | 0.552 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -65.9 | 155.5 | 167.3 | 26.5 | -31.3 | 0 | 0 | 0 | 110.6 | L199 F203 | L199-P201 WeakPolarHBondContact O-CD 3.31Å; P201-F203 HydrophobicContact CB-CD2 4.26Å; P201-F203 HydrophobicContact CB-CE2 4.01Å |
| 202 | P | 61.5 | Low | 85.4 | Confident | 120 Ų | 120 | 51.8 Ų | 51.8 | 78% | 0.779 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | cis | -86.8 | 136.1 | 10.9 | 31.8 | -33.2 | 0 | 0 | 0 | 114 | ||
| 203 | F | 69.7 | Low | 85.4 | Confident | 13 Ų | 13 | 51.9 Ų | 51.9 | 6% | 0.057 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 122.1 | 161.7 | -52.8 | -91.3 | 0 | 0 | 0 | 106.7 | Y108 T145 L199 P201 V208 C236 | Y108-F203 HydrophobicContact CD1-CD2 4.18Å; Y108-F203 AromaticContact CD1-CE2 3.99Å; Y108-F203 HydrophobicContact CD1-CE2 3.99Å; Y108-F203 HydrophobicContact CD1-CZ 4.5Å; Y108-F203 AromaticContact CE1-CD2 3.46Å; Y108-F203 HydrophobicContact CE1-CD2 3.46Å; Y108-F203 VanDerWaalsContact CE1-CD2 3.46Å; Y108-F203 AromaticContact CE1-CE2 3.31Å; Y108-F203 HydrophobicContact CE1-CE2 3.31Å; Y108-F203 HydrophobicContact CE1-CG 4.43Å; Y108-F203 HydrophobicContact CE1-CZ 4.2Å; Y108-F203 AromaticContact CZ-CE2 3.91Å; T145-F203 HydrophobicContact CG2-CE2 3.38Å; T145-F203 HydrophobicContact CG2-CZ 3.43Å; T145-F203 VanDerWaalsContact CG2-CZ 3.43Å; L199-F203 HydrophobicContact CB-CE1 3.78Å; L199-F203 HydrophobicContact CB-CZ 3.8Å; L199-F203 HydrophobicContact CD1-CE1 4.26Å; P201-F203 HydrophobicContact CB-CD2 4.26Å; P201-F203 HydrophobicContact CB-CE2 4.01Å; F203-V208 HydrophobicContact CB-CG2 4.41Å; F203-V208 HydrophobicContact CD1-CB 3.64Å; F203-V208 HydrophobicContact CD1-CG2 3.24Å; F203-V208 HydrophobicContact CE1-CB 3.91Å; F203-V208 HydrophobicContact CE1-CG2 3.7Å; F203-V208 HydrophobicContact CG-CG2 4.15Å; F203-C236 HydrophobicContact CE1-CB 4.36Å |
| 204 | G | 63.7 | Low | 85.4 | Confident | 49 Ų | 49 | 51.4 Ų | 51.4 | 51% | 0.505 | 30% | 0.303 | S | S | . | . | trans | -62.2 | 174.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q206 G207 | G204-Q206 PolarHBondContact O-N 2.67Å; G204-G207 PolarHBondContact O-N 3.13Å | ||
| 205 | D | 66.1 | Low | 85.4 | Confident | 169 Ų | 169 | 52.2 Ų | 52.2 | 90% | 0.904 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -23.7 | -178.5 | -62.5 | -25.7 | 0 | 0 | 0 | 113.4 | ||
| 206 | Q | 69.9 | Low | 85.4 | Confident | 174 Ų | 174 | 51.9 Ų | 51.9 | 81% | 0.813 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -4.9 | 177.5 | -58.4 | -160.6 | 18.1 | 0 | 0 | 114.2 | G204 Q237 | G204-Q206 PolarHBondContact O-N 2.67Å; Q206-Q237 PolarHBondContact O-NE2 3.17Å |
| 207 | G | 83.6 | Confident | 85.5 | Confident | 18 Ų | 18 | 48.2 Ų | 48.2 | 19% | 0.186 | 29% | 0.287 | C | S | . | . | trans | 82.1 | -169.6 | -171 | 0 | 0 | 0 | 0 | 0 | 113.6 | G204 C236 | G204-G207 PolarHBondContact O-N 3.13Å; G207-C236 CarbonylContact C-O 3.6Å; G207-C236 WeakPolarHBondContact CA-O 3.37Å | ||
| 208 | V | 89.1 | Confident | 85.6 | Confident | 31 Ų | 31 | 48.6 Ų | 48.6 | 19% | 0.188 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 126.5 | 172.9 | 168.1 | 0 | 0 | 0 | 0 | 108.8 | L168 L199 F203 V210 C236 | L168-V208 HydrophobicContact CD2-CG1 4.19Å; L199-V208 HydrophobicContact CD2-CG1 4.4Å; F203-V208 HydrophobicContact CB-CG2 4.41Å; F203-V208 HydrophobicContact CD1-CB 3.64Å; F203-V208 HydrophobicContact CD1-CG2 3.24Å; F203-V208 HydrophobicContact CE1-CB 3.91Å; F203-V208 HydrophobicContact CE1-CG2 3.7Å; F203-V208 HydrophobicContact CG-CG2 4.15Å; V208-V210 HydrophobicContact CG1-CG2 4.07Å; V208-C236 PolarHBondContact N-O 3.09Å; V208-C236 PolarHBondContact O-N 2.96Å |
| 209 | R | 92.2 | Very high | 85.7 | Confident | 84 Ų | 84 | 48.7 Ų | 48.7 | 32% | 0.317 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 131.9 | 170.5 | -174.3 | 173.8 | -174.3 | -92.9 | -8.3 | 109.1 | D211 V233 L234 | R209-D211 IonicContact CZ-OD1 2.75Å; R209-D211 IonicContact CZ-OD2 3.97Å; R209-D211 IonicContact NE-OD2 3.09Å; R209-D211 IonicContact NH1-OD1 3.52Å; R209-D211 PolarHBondContact NH1-OD1 2.84Å; R209-D211 IonicContact NH1-OD2 2.71Å; R209-D211 PolarHBondContact NH1-OD2 2.65Å; R209-D211 IonicContact NH2-OD1 2.67Å; R209-D211 PolarHBondContact NH2-OD1 3.43Å; R209-D211 IonicContact NH2-OD2 3.49Å; R209-V233 HydrophobicContact CG-CG1 4.1Å; R209-L234 WeakPolarHBondContact CA-O 3.47Å |
| 210 | V | 94.3 | Very high | 86 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 121.4 | 176.4 | -172.7 | 0 | 0 | 0 | 0 | 108.1 | T166 L168 L197 L199 V208 F212 V233 L234 | T166-V210 HydrophobicContact CG2-CG1 3.75Å; L168-V210 HydrophobicContact CD2-CB 4.25Å; L168-V210 HydrophobicContact CD2-CG1 4.12Å; L168-V210 HydrophobicContact CD2-CG2 3.85Å; L197-V210 HydrophobicContact CD2-CG1 3.8Å; L199-V210 HydrophobicContact CD1-CG2 3.99Å; L199-V210 HydrophobicContact CD2-CG2 3.67Å; V208-V210 HydrophobicContact CG1-CG2 4.07Å; V210-F212 HydrophobicContact CG1-CD1 4.46Å; V210-V233 CarbonylContact O-C 3.51Å; V210-V233 WeakPolarHBondContact O-CA 3.26Å; V210-L234 HydrophobicContact CB-CB 4.33Å; V210-L234 PolarHBondContact N-O 2.86Å; V210-L234 PolarHBondContact O-N 3.28Å |
| 211 | D | 95.9 | Very high | 86.9 | Confident | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 134.7 | 170.7 | -62.3 | -113.6 | 0 | 0 | 0 | 108.3 | T166 S167 W171 R209 Y232 | T166-D211 CarbonylContact C-O 3.59Å; T166-D211 VanDerWaalsContact CA-O 3.32Å; T166-D211 WeakPolarHBondContact CA-O 3.2Å; S167-D211 PolarHBondContact N-O 2.87Å; S167-D211 PolarHBondContact O-N 2.83Å; W171-D211 HydrophobicContact CZ2-CB 4.12Å; R209-D211 IonicContact CZ-OD1 2.75Å; R209-D211 IonicContact CZ-OD2 3.97Å; R209-D211 IonicContact NE-OD2 3.09Å; R209-D211 IonicContact NH1-OD1 3.52Å; R209-D211 PolarHBondContact NH1-OD1 2.84Å; R209-D211 IonicContact NH1-OD2 2.71Å; R209-D211 PolarHBondContact NH1-OD2 2.65Å; R209-D211 IonicContact NH2-OD1 2.67Å; R209-D211 PolarHBondContact NH2-OD1 3.43Å; R209-D211 IonicContact NH2-OD2 3.49Å; D211-Y232 CarbonylContact C-O 3.57Å; D211-Y232 WeakPolarHBondContact CA-O 3.46Å |
| 212 | F | 97.1 | Very high | 88.4 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 0% | 0.004 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 159.7 | 170.9 | 66.2 | -83.6 | 0 | 0 | 0 | 112.8 | F115 L135 I138 V164 R165 F195 V210 L214 Y232 L234 | F115-F212 HydrophobicContact CZ-CZ 4.43Å; L135-F212 HydrophobicContact CD1-CE2 4.23Å; L135-F212 HydrophobicContact CD1-CZ 4.45Å; L135-F212 HydrophobicContact CD2-CE2 3.96Å; L135-F212 HydrophobicContact CD2-CZ 3.65Å; I138-F212 HydrophobicContact CD1-CE1 3.73Å; I138-F212 HydrophobicContact CD1-CE2 4.33Å; I138-F212 HydrophobicContact CD1-CZ 3.38Å; V164-F212 HydrophobicContact CG1-CB 3.92Å; V164-F212 HydrophobicContact CG1-CD2 3.81Å; V164-F212 HydrophobicContact CG1-CG 4.11Å; R165-F212 CarbonylContact O-C 3.43Å; R165-F212 WeakPolarHBondContact O-CA 3.28Å; R165-F212 VanDerWaalsContact O-CB 3.27Å; R165-F212 WeakPolarHBondContact O-CB 3.49Å; F195-F212 HydrophobicContact CZ-CE2 4.48Å; V210-F212 HydrophobicContact CG1-CD1 4.46Å; F212-L214 HydrophobicContact CD2-CD2 4.13Å; F212-L214 HydrophobicContact CE2-CD2 4.23Å; F212-Y232 WeakPolarHBondContact CD1-O 3.41Å; F212-Y232 AromaticContact CD2-CD2 4Å; F212-Y232 HydrophobicContact CD2-CD2 4Å; F212-Y232 HydrophobicContact CD2-CG 4.16Å; F212-Y232 HydrophobicContact CE1-CG 4.42Å; F212-Y232 HydrophobicContact CE2-CD1 4.37Å; F212-Y232 AromaticContact CE2-CD2 3.75Å; F212-Y232 HydrophobicContact CE2-CD2 3.75Å; F212-Y232 AromaticContact CE2-CG 3.6Å; F212-Y232 HydrophobicContact CE2-CG 3.6Å; F212-Y232 HydrophobicContact CZ-CD1 4.34Å; F212-Y232 HydrophobicContact CZ-CD2 4.38Å; F212-Y232 AromaticContact CZ-CG 3.76Å; F212-Y232 HydrophobicContact CZ-CG 3.76Å; F212-Y232 PolarHBondContact N-O 3.25Å; F212-Y232 PolarHBondContact O-N 3.47Å; F212-L234 HydrophobicContact CD1-CD1 4.45Å; F212-L234 HydrophobicContact CE1-CD1 3.67Å; F212-L234 HydrophobicContact CE1-CG 4.12Å |
| 213 | C | 97.3 | Very high | 90.1 | Very high | 9 Ų | 9 | 48.1 Ų | 48.1 | 6% | 0.061 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 159.8 | 166.2 | 63.6 | 0 | 0 | 0 | 0 | 109.7 | R165 W171 W224 N226 | R165-C213 PolarHBondContact N-O 2.9Å; R165-C213 PolarHBondContact O-N 2.96Å; W171-C213 HydrophobicContact CH2-CB 4.33Å; W171-C213 VanDerWaalsContact CH2-SG 3.52Å; C213-W224 VanDerWaalsContact SG-CZ3 3.55Å; C213-N226 HydrophobicContact CB-CB 4.19Å |
| 214 | L | 97.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 134.1 | -175.9 | -52.4 | 175.6 | 0 | 0 | 0 | 109.1 | V133 L135 V151 V164 F212 W224 A225 Y232 | V133-L214 HydrophobicContact CG2-CB 3.85Å; V133-L214 HydrophobicContact CG2-CD1 3.97Å; L135-L214 HydrophobicContact CB-CD1 4.1Å; V151-L214 HydrophobicContact CG1-CD1 3.88Å; V151-L214 HydrophobicContact CG2-CD1 4.05Å; V151-L214 HydrophobicContact CG2-CD2 3.8Å; V164-L214 HydrophobicContact CB-CD2 4.47Å; V164-L214 HydrophobicContact CG1-CD2 4.21Å; V164-L214 HydrophobicContact CG2-CD2 3.85Å; F212-L214 HydrophobicContact CD2-CD2 4.13Å; F212-L214 HydrophobicContact CE2-CD2 4.23Å; L214-W224 CarbonylContact O-C 3.56Å; L214-W224 VanDerWaalsContact O-CA 3.28Å; L214-W224 WeakPolarHBondContact O-CA 3.47Å; L214-A225 HydrophobicContact CB-CB 4.18Å; L214-A225 HydrophobicContact CD1-CB 4.29Å; L214-A225 PolarHBondContact N-O 2.8Å; L214-A225 PolarHBondContact O-N 3.28Å; L214-Y232 HydrophobicContact CD1-CE2 4.15Å; L214-Y232 HydrophobicContact CG-CE2 4.11Å |
| 215 | R | 98.1 | Very high | 92.8 | Very high | 39 Ų | 39 | 50.1 Ų | 50.1 | 15% | 0.147 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 120.4 | 174.5 | -178.2 | -177.5 | 65.1 | 164.9 | -10 | 109 | V162 Y163 D176 E217 T222 W224 | V162-R215 CarbonylContact C-O 3.49Å; V162-R215 WeakPolarHBondContact CA-O 3.04Å; Y163-R215 PolarHBondContact N-O 3.47Å; Y163-R215 PolarHBondContact O-N 2.76Å; D176-R215 IonicContact OD2-CZ 3.88Å; D176-R215 IonicContact OD2-NH2 3.92Å; R215-E217 WeakPolarHBondContact CD-OE1 3.46Å; R215-E217 HydrophobicContact CG-CG 4.05Å; R215-E217 IonicContact CZ-OE1 3.27Å; R215-E217 IonicContact CZ-OE2 3.83Å; R215-E217 IonicContact NE-OE1 3.05Å; R215-E217 PolarHBondContact NE-OE1 2.7Å; R215-E217 IonicContact NH1-OE1 2.71Å; R215-E217 PolarHBondContact NH1-OE1 3.18Å; R215-E217 IonicContact NH1-OE2 3.97Å; R215-E217 IonicContact NH2-OE1 2.78Å; R215-T222 HydrophobicContact CG-CG2 3.6Å; R215-W224 HydrophobicContact CB-CD2 4.13Å; R215-W224 HydrophobicContact CB-CE3 3.83Å; R215-W224 HydrophobicContact CB-CH2 3.77Å; R215-W224 HydrophobicContact CB-CZ2 4.05Å; R215-W224 HydrophobicContact CB-CZ3 3.65Å; R215-W224 VanDerWaalsContact CD-CZ2 3.42Å; R215-W224 HydrophobicContact CG-CD2 4.2Å; R215-W224 HydrophobicContact CG-CE3 4.37Å; R215-W224 HydrophobicContact CG-CH2 3.89Å; R215-W224 HydrophobicContact CG-CZ2 3.68Å; R215-W224 HydrophobicContact CG-CZ3 4.22Å |
| 216 | Y | 98.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 110.6 | 177.6 | 175.4 | -141.2 | 0 | 0 | 0 | 109.8 | K132 V133 V153 L154 I156 K160 V162 T218 T222 F223 | K132-Y216 HydrophobicContact CB-CD1 4.03Å; K132-Y216 HydrophobicContact CB-CE1 4.27Å; V133-Y216 HydrophobicContact CB-CD1 4.49Å; V133-Y216 HydrophobicContact CB-CG 4.45Å; V153-Y216 HydrophobicContact CB-CD1 4.28Å; V153-Y216 HydrophobicContact CB-CD2 4.19Å; V153-Y216 HydrophobicContact CB-CE1 4.07Å; V153-Y216 HydrophobicContact CB-CE2 3.95Å; V153-Y216 HydrophobicContact CB-CG 4.35Å; V153-Y216 HydrophobicContact CG1-CD1 4.4Å; V153-Y216 HydrophobicContact CG1-CD2 3.93Å; V153-Y216 HydrophobicContact CG1-CE2 4.16Å; V153-Y216 HydrophobicContact CG1-CG 4.05Å; V153-Y216 HydrophobicContact CG2-CE2 3.97Å; L154-Y216 PolarHBondContact O-OH 2.88Å; I156-Y216 HydrophobicContact CD1-CE1 4.07Å; K160-Y216 HydrophobicContact CB-CE2 3.74Å; K160-Y216 HydrophobicContact CD-CE2 3.78Å; K160-Y216 VanDerWaalsContact CD-OH 3.32Å; K160-Y216 WeakPolarHBondContact CD-OH 3.39Å; K160-Y216 HydrophobicContact CG-CE2 4.25Å; V162-Y216 HydrophobicContact CG2-CD2 3.86Å; V162-Y216 HydrophobicContact CG2-CE2 4.4Å; Y216-T218 HydrophobicContact CD1-CG2 4.35Å; Y216-T218 HydrophobicContact CD2-CG2 4.15Å; Y216-T218 HydrophobicContact CE1-CG2 3.75Å; Y216-T218 HydrophobicContact CE2-CG2 3.54Å; Y216-T218 WeakPolarHBondContact OH-CG2 3.23Å; Y216-T222 CarbonylContact O-C 3.6Å; Y216-T222 WeakPolarHBondContact O-CA 3.39Å; Y216-F223 HydrophobicContact CD1-CB 4.28Å; Y216-F223 AromaticContact CD1-CD2 3.66Å; Y216-F223 HydrophobicContact CD1-CD2 3.66Å; Y216-F223 HydrophobicContact CD1-CE2 4.49Å; Y216-F223 HydrophobicContact CD1-CG 4.33Å; Y216-F223 HydrophobicContact CE1-CD2 4.18Å; Y216-F223 HydrophobicContact CG-CD2 4.42Å; Y216-F223 PolarHBondContact N-O 3.16Å; Y216-F223 PolarHBondContact O-N 2.64Å |
| 217 | E | 98.3 | Very high | 95 | Very high | 53 Ų | 53 | 36.7 Ų | 36.7 | 25% | 0.248 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 130.6 | -178.3 | -70.3 | -174.6 | 161.8 | 0 | 0 | 111.2 | K160 S161 Y163 R215 T222 | K160-E217 CarbonylContact C-O 3.58Å; K160-E217 WeakPolarHBondContact CA-O 3.4Å; S161-E217 PolarHBondContact N-O 2.81Å; S161-E217 PolarHBondContact O-N 3.19Å; Y163-E217 HydrophobicContact CE2-CG 4.44Å; Y163-E217 VanDerWaalsContact CE2-OE2 3.22Å; Y163-E217 WeakPolarHBondContact CE2-OE2 3.15Å; R215-E217 WeakPolarHBondContact CD-OE1 3.46Å; R215-E217 HydrophobicContact CG-CG 4.05Å; R215-E217 IonicContact CZ-OE1 3.27Å; R215-E217 IonicContact CZ-OE2 3.83Å; R215-E217 IonicContact NE-OE1 3.05Å; R215-E217 PolarHBondContact NE-OE1 2.7Å; R215-E217 IonicContact NH1-OE1 2.71Å; R215-E217 PolarHBondContact NH1-OE1 3.18Å; R215-E217 IonicContact NH1-OE2 3.97Å; R215-E217 IonicContact NH2-OE1 2.78Å; E217-T222 HydrophobicContact CG-CG2 3.8Å |
| 218 | T | 97.6 | Very high | 95.2 | Very high | 16 Ų | 16 | 41.5 Ų | 41.5 | 10% | 0.098 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 163.2 | 177.5 | 65.9 | 0 | 0 | 0 | 0 | 109.4 | K160 Y216 V220 G221 | K160-T218 HydrophobicContact CB-CG2 4.03Å; Y216-T218 HydrophobicContact CD1-CG2 4.35Å; Y216-T218 HydrophobicContact CD2-CG2 4.15Å; Y216-T218 HydrophobicContact CE1-CG2 3.75Å; Y216-T218 HydrophobicContact CE2-CG2 3.54Å; Y216-T218 WeakPolarHBondContact OH-CG2 3.23Å; T218-V220 PolarHBondContact O-N 3.43Å; T218-V220 VanDerWaalsContact O-N 3.11Å; T218-V220 WeakPolarHBondContact OG1-CG2 3.08Å; T218-V220 PolarHBondContact OG1-N 2.86Å; T218-G221 PolarHBondContact N-O 2.88Å; T218-G221 PolarHBondContact O-N 2.84Å; T218-G221 VanDerWaalsContact O-O 3.12Å; T218-G221 PolarHBondContact OG1-N 3.47Å; T218-G221 PolarHBondContact OG1-O 2.91Å |
| 219 | P | 97 | Very high | 95.1 | Very high | 97 Ų | 97 | 46.4 Ų | 46.4 | 63% | 0.63 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -23.3 | 172.1 | -27.8 | 34.4 | 0 | 0 | 0 | 114.4 | N159 | N159-P219 HydrophobicContact CB-CG 4.43Å; N159-P219 WeakPolarHBondContact O-CD 3.17Å |
| 220 | V | 94.9 | Very high | 95 | Very high | 100 Ų | 100 | 49.5 Ų | 49.5 | 61% | 0.606 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -14 | 179.3 | -58.3 | 0 | 0 | 0 | 0 | 113.1 | I156 T218 F223 | I156-V220 HydrophobicContact CG2-CG2 3.72Å; T218-V220 PolarHBondContact O-N 3.43Å; T218-V220 VanDerWaalsContact O-N 3.11Å; T218-V220 WeakPolarHBondContact OG1-CG2 3.08Å; T218-V220 PolarHBondContact OG1-N 2.86Å; V220-F223 HydrophobicContact CG2-CE2 4.2Å; V220-F223 HydrophobicContact CG2-CZ 4.24Å |
| 221 | G | 95.7 | Very high | 94.9 | Very high | 27 Ų | 27 | 51.2 Ų | 51.2 | 28% | 0.278 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 151.4 | 177.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | T218 | T218-G221 PolarHBondContact N-O 2.88Å; T218-G221 PolarHBondContact O-N 2.84Å; T218-G221 VanDerWaalsContact O-O 3.12Å; T218-G221 PolarHBondContact OG1-N 3.47Å; T218-G221 PolarHBondContact OG1-O 2.91Å |
| 222 | T | 97.6 | Very high | 94.9 | Very high | 71 Ų | 71 | 51.1 Ų | 51.1 | 44% | 0.436 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 124.9 | 177.8 | -53.7 | 0 | 0 | 0 | 0 | 110 | R215 Y216 E217 | R215-T222 HydrophobicContact CG-CG2 3.6Å; Y216-T222 CarbonylContact O-C 3.6Å; Y216-T222 WeakPolarHBondContact O-CA 3.39Å; E217-T222 HydrophobicContact CG-CG2 3.8Å |
| 223 | F | 97.4 | Very high | 94.8 | Very high | 55 Ų | 55 | 51.2 Ų | 51.2 | 24% | 0.241 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 145.9 | 179.2 | -50.8 | -83.6 | 0 | 0 | 0 | 109.9 | K132 V133 I156 Y216 V220 | K132-F223 HydrophobicContact CB-CB 4Å; K132-F223 HydrophobicContact CB-CD1 4.04Å; K132-F223 HydrophobicContact CB-CD2 4.07Å; K132-F223 HydrophobicContact CB-CG 3.75Å; K132-F223 HydrophobicContact CG-CB 4.46Å; K132-F223 HydrophobicContact CG-CD1 3.57Å; K132-F223 HydrophobicContact CG-CD2 4.26Å; K132-F223 HydrophobicContact CG-CE1 3.79Å; K132-F223 HydrophobicContact CG-CE2 4.44Å; K132-F223 HydrophobicContact CG-CG 3.83Å; K132-F223 HydrophobicContact CG-CZ 4.22Å; V133-F223 HydrophobicContact CG1-CB 4.42Å; I156-F223 HydrophobicContact CD1-CE2 3.96Å; I156-F223 HydrophobicContact CD1-CZ 4.21Å; Y216-F223 HydrophobicContact CD1-CB 4.28Å; Y216-F223 AromaticContact CD1-CD2 3.66Å; Y216-F223 HydrophobicContact CD1-CD2 3.66Å; Y216-F223 HydrophobicContact CD1-CE2 4.49Å; Y216-F223 HydrophobicContact CD1-CG 4.33Å; Y216-F223 HydrophobicContact CE1-CD2 4.18Å; Y216-F223 HydrophobicContact CG-CD2 4.42Å; Y216-F223 PolarHBondContact N-O 3.16Å; Y216-F223 PolarHBondContact O-N 2.64Å; V220-F223 HydrophobicContact CG2-CE2 4.2Å; V220-F223 HydrophobicContact CG2-CZ 4.24Å |
| 224 | W | 96.8 | Very high | 94.6 | Very high | 105 Ų | 105 | 50.8 Ų | 50.8 | 40% | 0.398 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 137.1 | -178.7 | -70.2 | 86.6 | 0 | 0 | 0 | 110.6 | R165 C213 L214 R215 | R165-W224 HydrophobicContact CB-CZ3 4.42Å; C213-W224 VanDerWaalsContact SG-CZ3 3.55Å; L214-W224 CarbonylContact O-C 3.56Å; L214-W224 VanDerWaalsContact O-CA 3.28Å; L214-W224 WeakPolarHBondContact O-CA 3.47Å; R215-W224 HydrophobicContact CB-CD2 4.13Å; R215-W224 HydrophobicContact CB-CE3 3.83Å; R215-W224 HydrophobicContact CB-CH2 3.77Å; R215-W224 HydrophobicContact CB-CZ2 4.05Å; R215-W224 HydrophobicContact CB-CZ3 3.65Å; R215-W224 VanDerWaalsContact CD-CZ2 3.42Å; R215-W224 HydrophobicContact CG-CD2 4.2Å; R215-W224 HydrophobicContact CG-CE3 4.37Å; R215-W224 HydrophobicContact CG-CH2 3.89Å; R215-W224 HydrophobicContact CG-CZ2 3.68Å; R215-W224 HydrophobicContact CG-CZ3 4.22Å |
| 225 | A | 95 | Very high | 94.3 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 116.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | V133 L214 Y232 | V133-A225 HydrophobicContact CG1-CB 3.82Å; V133-A225 WeakPolarHBondContact O-CB 3.3Å; L214-A225 HydrophobicContact CB-CB 4.18Å; L214-A225 HydrophobicContact CD1-CB 4.29Å; L214-A225 PolarHBondContact N-O 2.8Å; L214-A225 PolarHBondContact O-N 3.28Å; A225-Y232 HydrophobicContact CB-CE2 4.42Å |
| 226 | N | 92.9 | Very high | 93.9 | Very high | 47 Ų | 47 | 49.6 Ų | 49.6 | 25% | 0.251 | 26% | 0.262 | S | S | . | . | trans | -124.6 | 25.3 | -179.7 | 70.9 | -3.9 | 0 | 0 | 0 | 111.5 | C213 N228 N229 R230 N231 | C213-N226 HydrophobicContact CB-CB 4.19Å; N226-N228 PolarHBondContact O-N 2.94Å; N226-N229 PolarHBondContact ND2-OD1 2.94Å; N226-N229 PolarHBondContact O-N 3.01Å; N226-N229 PolarHBondContact OD1-N 3.25Å; N226-R230 PolarHBondContact O-N 2.76Å; N226-N231 VanDerWaalsContact O-CA 3.24Å; N226-N231 WeakPolarHBondContact O-CA 3.32Å; N226-N231 PolarHBondContact O-N 2.99Å | ||
| 227 | N | 89.3 | Confident | 93.4 | Very high | 13 Ų | 13 | 53.6 Ų | 53.6 | 7% | 0.07 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 53.2 | 178.9 | -176.5 | 28 | 0 | 0 | 0 | 112.9 | T114 N229 R230 N231 Y232 | T114-N227 PolarHBondContact O-ND2 3.43Å; N227-N229 PolarHBondContact O-N 2.75Å; N227-R230 WeakPolarHBondContact O-CB 3.44Å; N227-R230 PolarHBondContact O-N 2.97Å; N227-R230 VanDerWaalsContact O-N 3.15Å; N227-N231 PolarHBondContact ND2-O 3.41Å; N227-Y232 HydrophobicContact CB-CD1 4.18Å; N227-Y232 HydrophobicContact CB-CD2 4.39Å; N227-Y232 HydrophobicContact CB-CE1 4Å; N227-Y232 HydrophobicContact CB-CE2 4.22Å; N227-Y232 HydrophobicContact CB-CG 4.36Å |
| 228 | N | 87.4 | Confident | 92.7 | Very high | 119 Ų | 119 | 57.1 Ų | 57.1 | 64% | 0.636 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 49.9 | -177.8 | -59.5 | -31.4 | 0 | 0 | 0 | 113 | N226 R230 | N226-N228 PolarHBondContact O-N 2.94Å; N228-R230 PolarHBondContact O-N 2.95Å |
| 229 | N | 87.6 | Confident | 91.5 | Very high | 135 Ų | 135 | 56.9 Ų | 56.9 | 72% | 0.722 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 9.8 | -177.7 | -54.3 | -45.9 | 0 | 0 | 0 | 115.9 | N226 N227 | N226-N229 PolarHBondContact ND2-OD1 2.94Å; N226-N229 PolarHBondContact O-N 3.01Å; N226-N229 PolarHBondContact OD1-N 3.25Å; N227-N229 PolarHBondContact O-N 2.75Å |
| 230 | R | 89.2 | Confident | 89.8 | Confident | 149 Ų | 149 | 59.5 Ų | 59.5 | 56% | 0.562 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -10.8 | 175.1 | -62.4 | -175.6 | -66.9 | -154.8 | 2.4 | 113.4 | T114 N226 N227 N228 | T114-R230 HydrophobicContact CG2-CB 4.5Å; N226-R230 PolarHBondContact O-N 2.76Å; N227-R230 WeakPolarHBondContact O-CB 3.44Å; N227-R230 PolarHBondContact O-N 2.97Å; N227-R230 VanDerWaalsContact O-N 3.15Å; N228-R230 PolarHBondContact O-N 2.95Å |
| 231 | N | 92.8 | Very high | 87.9 | Confident | 35 Ų | 35 | 62 Ų | 62 | 19% | 0.187 | 30% | 0.301 | C | S | . | . | trans | 56.6 | 167.9 | -167.4 | -59.2 | -40.5 | 0 | 0 | 0 | 112.6 | T114 W171 N226 N227 | T114-N231 PolarHBondContact OG1-O 3.31Å; W171-N231 HydrophobicContact CZ2-CB 4.49Å; W171-N231 PolarHBondContact NE1-ND2 2.8Å; N226-N231 VanDerWaalsContact O-CA 3.24Å; N226-N231 WeakPolarHBondContact O-CA 3.32Å; N226-N231 PolarHBondContact O-N 2.99Å; N227-N231 PolarHBondContact ND2-O 3.41Å | ||
| 232 | Y | 95.3 | Very high | 85.4 | Confident | 3 Ų | 3 | 64.1 Ų | 64.1 | 1% | 0.012 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 114.3 | 169.2 | -59.7 | -87.1 | 0 | 0 | 0 | 107.9 | F115 E134 L135 D211 F212 L214 A225 N227 | F115-Y232 AromaticContact CD1-CD1 3.79Å; F115-Y232 HydrophobicContact CD1-CD1 3.79Å; F115-Y232 HydrophobicContact CD1-CG 4.41Å; F115-Y232 HydrophobicContact CD2-CD1 4.37Å; F115-Y232 AromaticContact CE1-CD1 3.99Å; F115-Y232 HydrophobicContact CE1-CD1 3.99Å; F115-Y232 HydrophobicContact CE1-CG 4.36Å; F115-Y232 AromaticContact CG-CD1 3.98Å; F115-Y232 HydrophobicContact CG-CD1 3.98Å; F115-Y232 HydrophobicContact CZ-CD1 4.34Å; E134-Y232 PolarHBondContact OE1-OH 3.41Å; L135-Y232 HydrophobicContact CB-CD1 4.23Å; L135-Y232 HydrophobicContact CB-CE1 3.63Å; L135-Y232 HydrophobicContact CD2-CD1 3.61Å; L135-Y232 HydrophobicContact CD2-CE1 3.88Å; L135-Y232 HydrophobicContact CD2-CG 4.25Å; L135-Y232 HydrophobicContact CG-CE1 4.44Å; D211-Y232 CarbonylContact C-O 3.57Å; D211-Y232 WeakPolarHBondContact CA-O 3.46Å; F212-Y232 WeakPolarHBondContact CD1-O 3.41Å; F212-Y232 AromaticContact CD2-CD2 4Å; F212-Y232 HydrophobicContact CD2-CD2 4Å; F212-Y232 HydrophobicContact CD2-CG 4.16Å; F212-Y232 HydrophobicContact CE1-CG 4.42Å; F212-Y232 HydrophobicContact CE2-CD1 4.37Å; F212-Y232 AromaticContact CE2-CD2 3.75Å; F212-Y232 HydrophobicContact CE2-CD2 3.75Å; F212-Y232 AromaticContact CE2-CG 3.6Å; F212-Y232 HydrophobicContact CE2-CG 3.6Å; F212-Y232 HydrophobicContact CZ-CD1 4.34Å; F212-Y232 HydrophobicContact CZ-CD2 4.38Å; F212-Y232 AromaticContact CZ-CG 3.76Å; F212-Y232 HydrophobicContact CZ-CG 3.76Å; F212-Y232 PolarHBondContact N-O 3.25Å; F212-Y232 PolarHBondContact O-N 3.47Å; L214-Y232 HydrophobicContact CD1-CE2 4.15Å; L214-Y232 HydrophobicContact CG-CE2 4.11Å; A225-Y232 HydrophobicContact CB-CE2 4.42Å; N227-Y232 HydrophobicContact CB-CD1 4.18Å; N227-Y232 HydrophobicContact CB-CD2 4.39Å; N227-Y232 HydrophobicContact CB-CE1 4Å; N227-Y232 HydrophobicContact CB-CE2 4.22Å; N227-Y232 HydrophobicContact CB-CG 4.36Å |
| 233 | V | 94.9 | Very high | 82.5 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.012 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 128.5 | -177 | -173.7 | 0 | 0 | 0 | 0 | 109.2 | L113 T114 R209 V210 | L113-V233 HydrophobicContact CB-CB 4.2Å; L113-V233 HydrophobicContact CB-CG1 4.09Å; L113-V233 HydrophobicContact CD1-CG1 3.85Å; L113-V233 HydrophobicContact CG-CG1 4.33Å; L113-V233 PolarHBondContact N-O 3.14Å; T114-V233 HydrophobicContact CG2-CB 3.77Å; T114-V233 HydrophobicContact CG2-CG2 3.61Å; T114-V233 PolarHBondContact OG1-N 3.22Å; R209-V233 HydrophobicContact CG-CG1 4.1Å; V210-V233 CarbonylContact O-C 3.51Å; V210-V233 WeakPolarHBondContact O-CA 3.26Å |
| 234 | L | 93.3 | Very high | 79.6 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 150.3 | 177.1 | -63.5 | 164.7 | 0 | 0 | 0 | 110.3 | L110 P112 F115 I138 L147 R209 V210 F212 | L110-L234 HydrophobicContact CD1-CB 4.1Å; L110-L234 HydrophobicContact CD1-CD1 4.21Å; L110-L234 HydrophobicContact CD1-CD2 4.29Å; L110-L234 HydrophobicContact CD1-CG 4.45Å; L110-L234 HydrophobicContact CD2-CD1 4.48Å; L110-L234 HydrophobicContact CD2-CD2 4.17Å; L110-L234 HydrophobicContact CG-CD2 4.13Å; P112-L234 HydrophobicContact CB-CD2 4.05Å; P112-L234 HydrophobicContact CG-CD2 3.93Å; F115-L234 HydrophobicContact CE1-CD2 3.96Å; F115-L234 HydrophobicContact CE1-CG 4.25Å; F115-L234 HydrophobicContact CE2-CD2 4.45Å; F115-L234 HydrophobicContact CZ-CD2 3.49Å; F115-L234 VanDerWaalsContact CZ-CD2 3.49Å; F115-L234 HydrophobicContact CZ-CG 4.07Å; I138-L234 HydrophobicContact CD1-CD1 3.68Å; I138-L234 HydrophobicContact CG1-CD1 4.32Å; I138-L234 HydrophobicContact CG2-CD2 4.21Å; L147-L234 HydrophobicContact CD1-CD1 3.88Å; L147-L234 HydrophobicContact CD2-CD1 3.63Å; L147-L234 HydrophobicContact CG-CD1 4.38Å; R209-L234 WeakPolarHBondContact CA-O 3.47Å; V210-L234 HydrophobicContact CB-CB 4.33Å; V210-L234 PolarHBondContact N-O 2.86Å; V210-L234 PolarHBondContact O-N 3.28Å; F212-L234 HydrophobicContact CD1-CD1 4.45Å; F212-L234 HydrophobicContact CE1-CD1 3.67Å; F212-L234 HydrophobicContact CE1-CG 4.12Å |
| 235 | S | 91.3 | Very high | 76.8 | Confident | 15 Ų | 15 | 72 Ų | 72 | 11% | 0.105 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 127.9 | 163.3 | -174.6 | 0 | 0 | 0 | 0 | 109.2 | L110 S111 | L110-S235 WeakPolarHBondContact CA-O 3.5Å; S111-S235 PolarHBondContact N-O 2.87Å; S111-S235 PolarHBondContact O-N 3.25Å |
| 236 | C | 89.3 | Confident | 74.1 | Confident | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 116.3 | 172.9 | -178.8 | 0 | 0 | 0 | 0 | 109.1 | H109 L110 L199 F203 G207 V208 | H109-C236 WeakPolarHBondContact O-CA 3.39Å; L110-C236 HydrophobicContact CD1-CB 4.22Å; L199-C236 HydrophobicContact CD1-CB 3.65Å; F203-C236 HydrophobicContact CE1-CB 4.36Å; G207-C236 CarbonylContact C-O 3.6Å; G207-C236 WeakPolarHBondContact CA-O 3.37Å; V208-C236 PolarHBondContact N-O 3.09Å; V208-C236 PolarHBondContact O-N 2.96Å |
| 237 | Q | 87.8 | Confident | 71.4 | Confident | 84 Ų | 84 | 84.4 Ų | 84.4 | 39% | 0.393 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 147.8 | -176.2 | -71.2 | 178.7 | -18.9 | 0 | 0 | 111.2 | Y108 H109 Q206 G239 | Y108-Q237 CarbonylContact C-O 3.51Å; Y108-Q237 WeakPolarHBondContact CA-O 3.25Å; H109-Q237 PolarHBondContact N-O 2.93Å; H109-Q237 PolarHBondContact O-N 3.47Å; Q206-Q237 PolarHBondContact O-NE2 3.17Å; Q237-G239 PolarHBondContact O-N 3.4Å |
| 238 | R | 83.6 | Confident | 68.9 | Low | 126 Ų | 126 | 93.4 Ų | 93.4 | 48% | 0.475 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 114.5 | 172.6 | -169.8 | 173.3 | 69.3 | -176.3 | 0.3 | 109.1 | V106 E107 Y108 M240 | V106-R238 HydrophobicContact CG1-CG 3.28Å; E107-R238 CarbonylContact O-C 3.59Å; Y108-R238 HydrophobicContact CD1-CB 4.37Å; Y108-R238 HydrophobicContact CD1-CG 4.49Å; Y108-R238 HydrophobicContact CE1-CB 4.22Å; Y108-R238 HydrophobicContact CE1-CG 4.1Å; R238-M240 PolarHBondContact O-N 3.36Å |
| 239 | G | 72.6 | Confident | 66.6 | Low | 12 Ų | 12 | 98.8 Ų | 98.8 | 12% | 0.124 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 108 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | E107 H109 Q237 | E107-G239 WeakPolarHBondContact O-CA 3.18Å; E107-G239 PolarHBondContact O-N 3.3Å; H109-G239 WeakPolarHBondContact NE2-CA 3.47Å; Q237-G239 PolarHBondContact O-N 3.4Å |
| 240 | M | 61.1 | Low | 64.2 | Low | 152 Ų | 152 | 100.8 Ų | 100.8 | 75% | 0.749 | 51% | 0.506 | S | S | * | . | trans | -82.4 | 120.7 | 162.4 | -90.8 | 146.8 | 64.2 | 0 | 0 | 107.4 | R238 G242 | R238-M240 PolarHBondContact O-N 3.36Å; M240-G242 VanDerWaalsContact C-N 3.33Å; M240-G242 PolarHBondContact O-N 3.36Å | ||
| 241 | K | 54.4 | Low | 61.9 | Low | 152 Ų | 152 | 101 Ų | 101 | 66% | 0.661 | 52% | 0.519 | S | S | * | . | trans | -61 | 100.8 | 166.1 | -79.9 | -175 | 177.4 | 172.9 | 0 | 107.4 | G243 | K241-G243 PolarHBondContact O-N 2.99Å; K241-G243 VanDerWaalsContact O-N 3.16Å | ||
| 242 | G | 43.8 | Very low | 59.5 | Low | 71 Ų | 71 | 102.7 Ų | 102.7 | 73% | 0.732 | 54% | 0.537 | S | S | * | . | trans | -56.8 | 119.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | M240 T244 | M240-G242 VanDerWaalsContact C-N 3.33Å; M240-G242 PolarHBondContact O-N 3.36Å; G242-T244 PolarHBondContact O-N 2.7Å | ||
| 243 | G | 37.8 | Very low | 56.9 | Low | 68 Ų | 68 | 110 Ų | 110 | 70% | 0.701 | 58% | 0.576 | S | S | * | * | trans | -55.6 | 130.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | K241 E245 | K241-G243 PolarHBondContact O-N 2.99Å; K241-G243 VanDerWaalsContact O-N 3.16Å; G243-E245 PolarHBondContact O-N 2.91Å | ||
| 244 | T | 35.5 | Very low | 54.6 | Low | 138 Ų | 138 | 119.1 Ų | 119.1 | 85% | 0.847 | 62% | 0.616 | S | S | * | * | trans | -58.5 | 99.7 | 168.7 | 18.1 | 0 | 0 | 0 | 0 | 108.3 | G242 K246 | G242-T244 PolarHBondContact O-N 2.7Å; T244-K246 VanDerWaalsContact C-N 3.34Å; T244-K246 PolarHBondContact O-N 3.38Å | ||
| 245 | E | 38.6 | Very low | 52.3 | Low | 191 Ų | 191 | 128.3 Ų | 128.3 | 89% | 0.893 | 66% | 0.656 | S | S | * | * | trans | -64.1 | 101.2 | 161.9 | -70.7 | -163.8 | 158.3 | 0 | 0 | 107.3 | G243 | G243-E245 PolarHBondContact O-N 2.91Š| ||
| 246 | K | 38 | Very low | 50.4 | Low | 187 Ų | 187 | 133.3 Ų | 133.3 | 81% | 0.813 | 69% | 0.691 | S | S | * | * | trans | -57.6 | 134.1 | 166 | -73.9 | 179.2 | 176.8 | 176 | 0 | 107.6 | T244 K248 | T244-K246 VanDerWaalsContact C-N 3.34Å; T244-K246 PolarHBondContact O-N 3.38Å; K246-K248 PolarHBondContact O-N 3.45Å | ||
| 247 | P | 35.6 | Very low | 48 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 78% | 0.779 | 73% | 0.727 | S | S | * | * | trans | -62.5 | 115.9 | 173.4 | 25.1 | -30.8 | 0 | 0 | 0 | 108.4 | R249 | P247-R249 PolarHBondContact O-N 2.92Š| ||
| 248 | K | 36.4 | Very low | 45.8 | Very low | 202 Ų | 202 | 142.8 Ų | 142.8 | 88% | 0.878 | 75% | 0.751 | S | S | * | * | trans | -61.6 | 98.4 | 168.8 | -172.8 | 177.4 | -178.4 | -179.7 | 0 | 106.9 | K246 E250 | K246-K248 PolarHBondContact O-N 3.45Å; K248-E250 PolarHBondContact O-N 3.14Å | ||
| 249 | R | 39.3 | Very low | 43.4 | Very low | 233 Ų | 233 | 149.8 Ų | 149.8 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | trans | -60 | 107.8 | 168.9 | -79.1 | -173.4 | 176.2 | -171.5 | -0.9 | 107.7 | P247 N251 | P247-R249 PolarHBondContact O-N 2.92Å; R249-N251 PolarHBondContact O-N 3.03Å | ||
| 250 | E | 38.6 | Very low | 42 | Very low | 177 Ų | 177 | 156.7 Ų | 156.7 | 83% | 0.827 | 82% | 0.818 | S | S | * | * | trans | -66.7 | 105.6 | 169.9 | -171.6 | 178.2 | 132.7 | 0 | 0 | 108.4 | K248 A252 | K248-E250 PolarHBondContact O-N 3.14Å; E250-A252 VanDerWaalsContact C-N 3.33Å; E250-A252 PolarHBondContact O-N 3.13Å | ||
| 251 | N | 39 | Very low | 41 | Very low | 154 Ų | 154 | 156.9 Ų | 156.9 | 82% | 0.824 | 82% | 0.821 | S | S | * | * | trans | -71.3 | 90.8 | 169.4 | -95 | -10.7 | 0 | 0 | 0 | 108.7 | R249 N253 | R249-N251 PolarHBondContact O-N 3.03Å; N251-N253 PolarHBondContact O-N 2.76Å; N251-N253 VanDerWaalsContact O-N 3.11Å | ||
| 252 | A | 43.3 | Very low | 40.2 | Very low | 69 Ų | 69 | 157.2 Ų | 157.2 | 57% | 0.57 | 83% | 0.83 | S | S | * | * | trans | -73.8 | 95.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | E250 K254 | E250-A252 VanDerWaalsContact C-N 3.33Å; E250-A252 PolarHBondContact O-N 3.13Å; A252-K254 PolarHBondContact O-N 3.04Å; A252-K254 VanDerWaalsContact O-N 3.08Å | ||
| 253 | N | 40.9 | Very low | 40 | Very low | 157 Ų | 157 | 162.3 Ų | 162.3 | 84% | 0.84 | 84% | 0.836 | S | S | * | * | trans | -62.6 | 100.3 | 160.9 | -88 | -25.7 | 0 | 0 | 0 | 109.2 | N251 K255 | N251-N253 PolarHBondContact O-N 2.76Å; N251-N253 VanDerWaalsContact O-N 3.11Å; N253-K255 PolarHBondContact O-N 3.14Å | ||
| 254 | K | 46.8 | Very low | 40.2 | Very low | 193 Ų | 193 | 168.2 Ų | 168.2 | 84% | 0.839 | 85% | 0.845 | S | S | * | * | trans | -86.5 | 98.9 | 166 | -72.4 | -177.2 | 179.7 | 177.1 | 0 | 109.1 | A252 S256 | A252-K254 PolarHBondContact O-N 3.04Å; A252-K254 VanDerWaalsContact O-N 3.08Å; K254-S256 PolarHBondContact O-N 2.85Å | ||
| 255 | K | 44.8 | Very low | 40.5 | Very low | 193 Ų | 193 | 170.2 Ų | 170.2 | 84% | 0.839 | 85% | 0.845 | S | S | * | * | trans | -61.6 | 115 | 159.8 | -66.8 | -179.6 | 178 | 180 | 0 | 107.7 | N253 | N253-K255 PolarHBondContact O-N 3.14Š| ||
| 256 | S | 50.3 | Low | 40.6 | Very low | 121 Ų | 121 | 168.7 Ų | 168.7 | 85% | 0.846 | 84% | 0.841 | S | S | * | * | trans | -81.8 | 109.3 | 168.6 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | K254 | K254-S256 PolarHBondContact O-N 2.85Š| ||
| 257 | C | 39.5 | Very low | 40.8 | Very low | 113 Ų | 113 | 167.3 Ų | 167.3 | 76% | 0.764 | 84% | 0.843 | S | S | * | * | trans | -97.7 | 139.9 | 167.2 | -69.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 258 | L | 41.5 | Very low | 41.2 | Very low | 170 Ų | 170 | 171.3 Ų | 171.3 | 89% | 0.89 | 85% | 0.849 | S | S | * | * | trans | -53.9 | 153.9 | -172.6 | -74.8 | 78.4 | 0 | 0 | 0 | 115.7 | ||||
| 259 | K | 34.6 | Very low | 41.7 | Very low | 273 Ų | 273 | 168.5 Ų | 168.5 | 100% | 1.187 | 85% | 0.846 | S | S | * | * | -151.9 | 0 | 109.7 | -157.6 | 161.4 | -176.1 | 167 | 0 | 111.3 |
Retrieved 259 of 259 residues in 464.5 ms
(Link to these results)