| 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 | 40.1 | Very low | 42.4 | Very low | 241 Ų | 241 | 175.6 Ų | 175.6 | 100% | 1.187 | 87% | 0.87 | S | S | * | * | 0 | 107.7 | 0 | -74.2 | 173.2 | -179.4 | 0 | 0 | 107.5 | |||||
| 2 | M | 45.7 | Very low | 41.9 | Very low | 195 Ų | 195 | 167.7 Ų | 167.7 | 96% | 0.961 | 87% | 0.866 | S | S | * | * | trans | -101 | 116.8 | -175.2 | -74 | 170.4 | 169.4 | 0 | 0 | 108.7 | ||||
| 3 | I | 44.8 | Very low | 41.8 | Very low | 159 Ų | 159 | 170.7 Ų | 170.7 | 82% | 0.815 | 87% | 0.868 | S | S | * | * | trans | -95.9 | 115.6 | 176.6 | -60.2 | 169.8 | 0 | 0 | 0 | 106.9 | ||||
| 4 | K | 50.9 | Low | 41.8 | Very low | 203 Ų | 203 | 170.9 Ų | 170.9 | 88% | 0.883 | 87% | 0.865 | S | S | * | * | trans | -99.6 | 115.6 | 167.5 | -76.8 | -179.3 | 175.2 | 176.8 | 0 | 108.7 | ||||
| 5 | P | 54.1 | Low | 42 | Very low | 122 Ų | 122 | 168.9 Ų | 168.9 | 79% | 0.792 | 86% | 0.864 | S | S | * | * | trans | -83.6 | 144.9 | 166.8 | 32 | -30.2 | 0 | 0 | 0 | 111 | ||||
| 6 | Y | 39.2 | Very low | 41.7 | Very low | 223 Ų | 223 | 167.6 Ų | 167.6 | 88% | 0.875 | 86% | 0.857 | S | S | * | * | trans | -109.5 | 116.8 | 179.9 | 179.7 | -89.2 | 0 | 0 | 0 | 109.9 | ||||
| 7 | V | 39.4 | Very low | 41 | Very low | 127 Ų | 127 | 164.2 Ų | 164.2 | 77% | 0.77 | 85% | 0.852 | S | S | * | * | trans | -153.9 | 114.9 | 161 | -179 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 8 | R | 38.2 | Very low | 41.2 | Very low | 212 Ų | 212 | 161 Ų | 161 | 80% | 0.8 | 85% | 0.846 | S | S | * | * | trans | 53.1 | 125.4 | 130.9 | -161.7 | -178.7 | -75.8 | 148.9 | -5.6 | 124.1 | ||||
| 9 | L | 35.1 | Very low | 41.5 | Very low | 172 Ų | 172 | 161.7 Ų | 161.7 | 90% | 0.901 | 85% | 0.85 | S | S | * | * | trans | -175.8 | 141.7 | 138 | -112.5 | 126.5 | 0 | 0 | 0 | 107.2 | ||||
| 10 | A | 36 | Very low | 41.3 | Very low | 79 Ų | 79 | 161.9 Ų | 161.9 | 65% | 0.653 | 85% | 0.846 | S | S | * | * | cis | -165.4 | 153.3 | -15.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 11 | E | 42.4 | Very low | 41.5 | Very low | 199 Ų | 199 | 166.7 Ų | 166.7 | 93% | 0.93 | 85% | 0.853 | S | S | * | * | trans | 23.8 | 142.2 | 151.8 | -61 | -175.7 | 158.7 | 0 | 0 | 125.3 | ||||
| 12 | G | 37.1 | Very low | 41.6 | Very low | 80 Ų | 80 | 162.9 Ų | 162.9 | 83% | 0.825 | 83% | 0.834 | S | S | * | * | trans | 151.2 | 93.7 | 156.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 13 | K | 40.4 | Very low | 41.5 | Very low | 207 Ų | 207 | 161.2 Ų | 161.2 | 90% | 0.9 | 83% | 0.829 | S | S | * | * | trans | -91 | 124.7 | 173.6 | -67.1 | 171.2 | 178.4 | 170.5 | 0 | 109.1 | ||||
| 14 | E | 42.3 | Very low | 41.3 | Very low | 174 Ų | 174 | 157.1 Ų | 157.1 | 81% | 0.813 | 83% | 0.826 | S | S | * | * | trans | -117.9 | 116.3 | 158.3 | -81.8 | -169.7 | 167.4 | 0 | 0 | 109.4 | ||||
| 15 | V | 44.2 | Very low | 40.8 | Very low | 141 Ų | 141 | 155.1 Ų | 155.1 | 86% | 0.855 | 83% | 0.825 | S | S | * | * | trans | -114.7 | 102.7 | 165.8 | 178.2 | 0 | 0 | 0 | 0 | 104 | ||||
| 16 | I | 36.8 | Very low | 40.4 | Very low | 148 Ų | 148 | 156 Ų | 156 | 76% | 0.759 | 83% | 0.828 | S | S | * | * | trans | -104.5 | 126.7 | 173.9 | -67.4 | 178.6 | 0 | 0 | 0 | 109.4 | ||||
| 17 | S | 30.7 | Very low | 40.3 | Very low | 109 Ų | 109 | 150.5 Ų | 150.5 | 76% | 0.762 | 82% | 0.822 | S | S | * | * | trans | -60.9 | 143.7 | -169.9 | -173 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 18 | S | 43.9 | Very low | 40.4 | Very low | 107 Ų | 107 | 149.9 Ų | 149.9 | 75% | 0.748 | 82% | 0.823 | S | S | * | * | trans | -57.7 | 156.4 | 159.1 | -58.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 19 | L | 46.2 | Very low | 41.1 | Very low | 175 Ų | 175 | 145.6 Ų | 145.6 | 92% | 0.916 | 82% | 0.823 | S | S | * | * | trans | 86.6 | 81.3 | 147.2 | -140.6 | 79 | 0 | 0 | 0 | 118 | ||||
| 20 | Q | 39.2 | Very low | 41.7 | Very low | 165 Ų | 165 | 145.1 Ų | 145.1 | 77% | 0.771 | 82% | 0.821 | S | S | * | * | trans | -164.1 | 94.7 | 154.2 | -163.1 | 164.7 | 34.7 | 0 | 0 | 111.4 | M22 | Q20-M22 HydrophobicContact CG-CG 4.49Š| ||
| 21 | W | 45.6 | Very low | 41.8 | Very low | 262 Ų | 262 | 144.9 Ų | 144.9 | 99% | 0.992 | 83% | 0.826 | S | S | * | * | trans | -105.1 | 114 | 165.2 | -74.7 | 17.7 | 0 | 0 | 0 | 107.3 | ||||
| 22 | M | 41.6 | Very low | 41.7 | Very low | 161 Ų | 161 | 140.8 Ų | 140.8 | 79% | 0.793 | 82% | 0.82 | S | S | * | * | trans | -72 | 150.2 | -168.2 | -72.9 | 149.9 | 54 | 0 | 0 | 113.3 | Q20 | Q20-M22 HydrophobicContact CG-CG 4.49Š| ||
| 23 | D | 43.9 | Very low | 41.6 | Very low | 161 Ų | 161 | 141.6 Ų | 141.6 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | trans | -49 | 133.2 | 158.3 | -58.7 | -79 | 0 | 0 | 0 | 111.7 | ||||
| 24 | G | 39.5 | Very low | 41.2 | Very low | 72 Ų | 72 | 137.8 Ų | 137.8 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | trans | -117.3 | 93.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110 | V26 | G24-V26 PolarHBondContact O-N 3.5Š| ||
| 25 | D | 41.5 | Very low | 41 | Very low | 161 Ų | 161 | 136.7 Ų | 136.7 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | trans | -63.7 | 114.7 | 163.2 | -81.3 | -43.9 | 0 | 0 | 0 | 109.4 | ||||
| 26 | V | 45 | Very low | 41.1 | Very low | 142 Ų | 142 | 135.8 Ų | 135.8 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | trans | -102.1 | 101.8 | 166.6 | 44 | 0 | 0 | 0 | 0 | 108.3 | G24 | G24-V26 PolarHBondContact O-N 3.5Š| ||
| 27 | S | 37.8 | Very low | 41 | Very low | 107 Ų | 107 | 132.2 Ų | 132.2 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | -69.7 | 138.4 | 172.5 | -70.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 28 | S | 41.8 | Very low | 41.3 | Very low | 114 Ų | 114 | 134.4 Ų | 134.4 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | -79.1 | 141.4 | 175.2 | -165.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 29 | P | 51.8 | Low | 40.7 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | trans | -105.5 | 119.6 | 160.8 | 31.1 | -20.9 | 0 | 0 | 0 | 111.7 | ||||
| 30 | D | 47.7 | Very low | 40.1 | Very low | 162 Ų | 162 | 136.9 Ų | 136.9 | 87% | 0.866 | 79% | 0.791 | S | S | * | * | trans | -75.6 | 150.8 | 162.9 | -173.8 | 18.8 | 0 | 0 | 0 | 110.3 | ||||
| 31 | G | 37.7 | Very low | 39.5 | Very low | 73 Ų | 73 | 132.9 Ų | 132.9 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | -173.7 | 87.3 | -177 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 32 | S | 40.9 | Very low | 38.9 | Very low | 114 Ų | 114 | 125.7 Ų | 125.7 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | -66.7 | 138.1 | 176 | 57.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 33 | A | 34.8 | Very low | 38.4 | Very low | 97 Ų | 97 | 121.9 Ų | 121.9 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | -161.8 | 108.8 | 149.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 34 | S | 32.9 | Very low | 37.8 | Very low | 126 Ų | 126 | 118.3 Ų | 118.3 | 88% | 0.881 | 79% | 0.793 | S | S | * | * | trans | 51.6 | 123.3 | 137.1 | -53.8 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 35 | I | 37.8 | Very low | 37.7 | Very low | 152 Ų | 152 | 119.3 Ų | 119.3 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | -74.3 | 149.6 | 164.2 | -67.7 | -81.4 | 0 | 0 | 0 | 111.2 | A37 | I35-A37 HydrophobicContact CG2-CB 4.38Š| ||
| 36 | P | 45.6 | Very low | 37.5 | Very low | 122 Ų | 122 | 116.9 Ų | 116.9 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | -139.4 | 132.3 | 95.4 | 25.7 | -4.5 | 0 | 0 | 0 | 113.2 | |||||
| 37 | A | 34.8 | Very low | 37.2 | Very low | 73 Ų | 73 | 119.9 Ų | 119.9 | 60% | 0.603 | 80% | 0.795 | S | S | * | * | 96.1 | 135.6 | 63.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | I35 | I35-A37 HydrophobicContact CG2-CB 4.38Š| |||
| 38 | H | 36.9 | Very low | 37.2 | Very low | 155 Ų | 155 | 123.3 Ų | 123.3 | 72% | 0.718 | 80% | 0.799 | S | S | * | * | trans | 85.5 | 129 | 171.6 | -72 | -94.4 | 0 | 0 | 0 | 117.2 | ||||
| 39 | H | 31.8 | Very low | 37 | Very low | 128 Ų | 128 | 122.9 Ų | 122.9 | 59% | 0.593 | 80% | 0.796 | S | S | * | * | cis | -170.2 | 144.2 | 29.2 | -110.9 | -59.5 | 0 | 0 | 0 | 112.1 | ||||
| 40 | Y | 32.4 | Very low | 36.5 | Very low | 206 Ų | 206 | 128.8 Ų | 128.8 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | trans | 36.6 | 138.3 | 157 | 46.3 | -110 | 0 | 0 | 0 | 124.5 | ||||
| 41 | G | 27 | Very low | 36.4 | Very low | 80 Ų | 80 | 129.5 Ų | 129.5 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | 151.5 | 112.7 | 147.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 42 | A | 33.6 | Very low | 36.6 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 93% | 0.926 | 81% | 0.809 | S | S | * | * | trans | -69.1 | 162.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 43 | G | 30.6 | Very low | 36.4 | Very low | 81 Ų | 81 | 132.5 Ų | 132.5 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | 130.3 | 117.7 | 152.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 44 | G | 32.5 | Very low | 36.8 | Very low | 85 Ų | 85 | 133.1 Ų | 133.1 | 88% | 0.876 | 80% | 0.801 | S | S | * | * | trans | -78.6 | 167.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 45 | A | 35.7 | Very low | 37.3 | Very low | 94 Ų | 94 | 136 Ų | 136 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | trans | 172.6 | 135.3 | 140.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 46 | S | 38.1 | Very low | 37.7 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | 57.4 | 98 | 149.2 | -62.1 | 0 | 0 | 0 | 0 | 119.2 | Q48 | S46-Q48 VanDerWaalsContact C-N 3.31Å; S46-Q48 PolarHBondContact O-N 3.37Å | ||
| 47 | Q | 38.6 | Very low | 37.9 | Very low | 206 Ų | 206 | 131.8 Ų | 131.8 | 96% | 0.963 | 78% | 0.784 | S | S | * | * | trans | -69.8 | 92.9 | 150.9 | -86.6 | 176.9 | 2.4 | 0 | 0 | 108.8 | ||||
| 48 | Q | 37.2 | Very low | 38.7 | Very low | 178 Ų | 178 | 133.4 Ų | 133.4 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -68.4 | 133.2 | 158.9 | -94.4 | 178.9 | 0.9 | 0 | 0 | 109.5 | S46 R50 | S46-Q48 VanDerWaalsContact C-N 3.31Å; S46-Q48 PolarHBondContact O-N 3.37Å; Q48-R50 PolarHBondContact O-N 3.17Å | ||
| 49 | S | 38.2 | Very low | 39.2 | Very low | 106 Ų | 106 | 133.3 Ų | 133.3 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | trans | -39.1 | 117.3 | 166.4 | -158.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 50 | R | 40.8 | Very low | 40.2 | Very low | 245 Ų | 245 | 132.4 Ų | 132.4 | 93% | 0.925 | 78% | 0.779 | S | S | * | * | trans | -96.5 | 76 | 161 | -85.7 | -177.7 | 158.8 | 166.6 | -5.2 | 107.9 | Q48 M52 | Q48-R50 PolarHBondContact O-N 3.17Å; R50-M52 PolarHBondContact O-N 3.16Å | ||
| 51 | E | 46 | Very low | 41.3 | Very low | 177 Ų | 177 | 129 Ų | 129 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | trans | -72.1 | 104.7 | 160.1 | -125.2 | -179.7 | 170.5 | 0 | 0 | 106.4 | G53 | E51-G53 PolarHBondContact O-N 3.41Š| ||
| 52 | M | 41.9 | Very low | 42.4 | Very low | 187 Ų | 187 | 133.4 Ų | 133.4 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | trans | -66.5 | 89.2 | 164 | -88.9 | -136.5 | -68.9 | 0 | 0 | 107.5 | R50 S54 | R50-M52 PolarHBondContact O-N 3.16Å; M52-S54 PolarHBondContact O-N 3.18Å | ||
| 53 | G | 38.2 | Very low | 43.2 | Very low | 64 Ų | 64 | 135.3 Ų | 135.3 | 66% | 0.66 | 76% | 0.764 | S | S | * | * | trans | -63.8 | 100.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108 | E51 E55 | E51-G53 PolarHBondContact O-N 3.41Å; G53-E55 PolarHBondContact O-N 3.01Å | ||
| 54 | S | 42.4 | Very low | 44 | Very low | 110 Ų | 110 | 135.4 Ų | 135.4 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | -53 | 113.3 | 170.7 | 174.4 | 0 | 0 | 0 | 0 | 109 | M52 D56 | M52-S54 PolarHBondContact O-N 3.18Å; S54-D56 VanDerWaalsContact C-N 3.27Å; S54-D56 PolarHBondContact O-N 3.22Å | ||
| 55 | E | 43.1 | Very low | 44.9 | Very low | 186 Ų | 186 | 137.2 Ų | 137.2 | 87% | 0.869 | 75% | 0.746 | S | S | * | * | trans | -62.3 | 86.7 | 169.7 | -58.5 | 165.6 | 159.1 | 0 | 0 | 107.8 | G53 A57 | G53-E55 PolarHBondContact O-N 3.01Å; E55-A57 PolarHBondContact O-N 3.42Å | ||
| 56 | D | 45.7 | Very low | 45.5 | Very low | 100 Ų | 100 | 141.1 Ų | 141.1 | 54% | 0.535 | 75% | 0.749 | S | S | . | * | trans | -95.5 | 66.2 | 165.1 | -146.3 | -3.1 | 0 | 0 | 0 | 106.1 | S54 E58 K98 | S54-D56 VanDerWaalsContact C-N 3.27Å; S54-D56 PolarHBondContact O-N 3.22Å; D56-E58 VanDerWaalsContact C-N 3.29Å; D56-E58 PolarHBondContact O-N 3.45Å; D56-K98 IonicContact OD1-NZ 3.75Å; D56-K98 WeakPolarHBondContact OD2-CE 3.29Å; D56-K98 IonicContact OD2-NZ 2.9Å; D56-K98 PolarHBondContact OD2-NZ 3.42Å | ||
| 57 | A | 51.1 | Low | 45.8 | Very low | 85 Ų | 85 | 138.4 Ų | 138.4 | 70% | 0.702 | 74% | 0.738 | S | S | * | * | trans | -62.2 | 97.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | E55 E59 | E55-A57 PolarHBondContact O-N 3.42Å; A57-E59 VanDerWaalsContact C-N 3.3Å; A57-E59 PolarHBondContact O-N 3.06Å | ||
| 58 | E | 51.8 | Low | 46.4 | Very low | 108 Ų | 108 | 136.6 Ų | 136.6 | 51% | 0.505 | 73% | 0.734 | S | S | . | * | trans | -62 | 99.8 | 169.6 | -62.5 | -93 | 168.9 | 0 | 0 | 106 | D56 D60 R95 K98 | D56-E58 VanDerWaalsContact C-N 3.29Å; D56-E58 PolarHBondContact O-N 3.45Å; E58-D60 PolarHBondContact O-N 3.09Å; E58-R95 IonicContact OE2-NH2 3.77Å; E58-K98 IonicContact OE1-NZ 2.84Å; E58-K98 PolarHBondContact OE1-NZ 3.21Å; E58-K98 VanDerWaalsContact OE1-NZ 3.11Å | ||
| 59 | E | 47.4 | Very low | 46.7 | Very low | 152 Ų | 152 | 137.1 Ų | 137.1 | 71% | 0.71 | 74% | 0.736 | S | S | * | * | trans | -55.2 | 91.5 | 155.1 | -80 | 175.3 | 176.8 | 0 | 0 | 106.2 | A57 E61 | A57-E59 VanDerWaalsContact C-N 3.3Å; A57-E59 PolarHBondContact O-N 3.06Å; E59-E61 HydrophobicContact CB-CG 4.42Å; E59-E61 PolarHBondContact O-N 3.24Å | ||
| 60 | D | 51.8 | Low | 47.1 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 58% | 0.583 | 74% | 0.739 | S | S | * | * | trans | -76.3 | 76.1 | 156.3 | -136.3 | 17.4 | 0 | 0 | 0 | 105.5 | E58 E62 R91 | E58-D60 PolarHBondContact O-N 3.09Å; D60-E62 PolarHBondContact O-N 3.27Å; D60-R91 IonicContact OD1-CZ 2.99Å; D60-R91 IonicContact OD1-NH1 3.11Å; D60-R91 IonicContact OD1-NH2 2.61Å; D60-R91 PolarHBondContact OD1-NH2 2.83Å | ||
| 61 | E | 56.1 | Low | 47.7 | Very low | 135 Ų | 135 | 136.4 Ų | 136.4 | 63% | 0.631 | 74% | 0.737 | S | S | * | * | trans | -58.2 | 95.6 | 154 | -70.5 | -69.4 | 176.3 | 0 | 0 | 105.1 | E59 D63 | E59-E61 HydrophobicContact CB-CG 4.42Å; E59-E61 PolarHBondContact O-N 3.24Å; E61-D63 VanDerWaalsContact C-N 3.28Å; E61-D63 PolarHBondContact O-N 3.06Å | ||
| 62 | E | 50.8 | Low | 47.8 | Very low | 172 Ų | 172 | 134.4 Ų | 134.4 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | trans | -55.6 | 100.9 | 161 | -69.8 | -175 | 172.7 | 0 | 0 | 105.4 | D60 A64 | D60-E62 PolarHBondContact O-N 3.27Å; E62-A64 PolarHBondContact O-N 2.95Å | ||
| 63 | D | 48.8 | Very low | 47.9 | Very low | 152 Ų | 152 | 133.4 Ų | 133.4 | 81% | 0.813 | 72% | 0.724 | S | S | * | * | trans | -55.7 | 91.6 | 165.7 | -94.2 | -46.5 | 0 | 0 | 0 | 106.4 | E61 D65 | E61-D63 VanDerWaalsContact C-N 3.28Å; E61-D63 PolarHBondContact O-N 3.06Å; D63-D65 VanDerWaalsContact C-N 3.25Å; D63-D65 PolarHBondContact O-N 3.31Å | ||
| 64 | A | 48.9 | Very low | 48.5 | Very low | 84 Ų | 84 | 134.7 Ų | 134.7 | 69% | 0.694 | 72% | 0.723 | S | S | * | * | trans | -57.8 | 100.2 | 156.4 | 0 | 0 | 0 | 0 | 0 | 104.9 | E62 E66 | E62-A64 PolarHBondContact O-N 2.95Å; A64-E66 PolarHBondContact O-N 3.42Å | ||
| 65 | D | 50 | Low | 49 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 65% | 0.652 | 73% | 0.729 | S | S | * | * | trans | -57.1 | 89.3 | 167.2 | -172.7 | 74 | 0 | 0 | 0 | 105.1 | D63 G67 K82 | D63-D65 VanDerWaalsContact C-N 3.25Å; D63-D65 PolarHBondContact O-N 3.31Å; D65-G67 PolarHBondContact O-N 3.25Å; D65-K82 IonicContact OD1-NZ 3.98Å; D65-K82 PolarHBondContact OD1-NZ 2.72Å; D65-K82 IonicContact OD2-NZ 3.98Å | ||
| 66 | E | 49.3 | Very low | 49.6 | Very low | 177 Ų | 177 | 142.5 Ų | 142.5 | 83% | 0.827 | 73% | 0.728 | S | S | * | * | trans | -61.1 | 90.8 | 163.3 | -77.7 | -164 | -178.3 | 0 | 0 | 105.7 | A64 L68 | A64-E66 PolarHBondContact O-N 3.42Å; E66-L68 VanDerWaalsContact C-N 3.35Å; E66-L68 PolarHBondContact O-N 2.96Å | ||
| 67 | G | 44.7 | Very low | 50.1 | Low | 51 Ų | 51 | 149.6 Ų | 149.6 | 53% | 0.526 | 75% | 0.747 | S | S | . | * | trans | -61.6 | 98.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | D65 E69 | D65-G67 PolarHBondContact O-N 3.25Å; G67-E69 VanDerWaalsContact C-N 3.3Å; G67-E69 PolarHBondContact O-N 3.14Å | ||
| 68 | L | 49.5 | Very low | 51 | Low | 169 Ų | 169 | 147.8 Ų | 147.8 | 89% | 0.885 | 74% | 0.737 | S | S | * | * | trans | -61.2 | 103.5 | 157.5 | -68.4 | 175.4 | 0 | 0 | 0 | 106.5 | E66 D70 | E66-L68 VanDerWaalsContact C-N 3.35Å; E66-L68 PolarHBondContact O-N 2.96Å; L68-D70 PolarHBondContact O-N 3.32Å | ||
| 69 | E | 44.4 | Very low | 51.6 | Low | 188 Ų | 188 | 149.1 Ų | 149.1 | 88% | 0.879 | 76% | 0.755 | S | S | * | * | trans | -59.4 | 94 | 174.3 | -59.3 | 179.5 | 176.3 | 0 | 0 | 108.6 | G67 E71 | G67-E69 VanDerWaalsContact C-N 3.3Å; G67-E69 PolarHBondContact O-N 3.14Å; E69-E71 PolarHBondContact O-N 2.98Å | ||
| 70 | D | 45.8 | Very low | 52.3 | Low | 151 Ų | 151 | 151 Ų | 151 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | trans | -87.9 | 87.9 | 159.9 | -162.8 | 17.7 | 0 | 0 | 0 | 106.9 | L68 N72 | L68-D70 PolarHBondContact O-N 3.32Å; D70-N72 PolarHBondContact O-N 2.85Å | ||
| 71 | E | 53.6 | Low | 52.9 | Low | 186 Ų | 186 | 155.4 Ų | 155.4 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | trans | -59.1 | 100.5 | 166.3 | -121.2 | -166.9 | 158.9 | 0 | 0 | 107.8 | E69 | E69-E71 PolarHBondContact O-N 2.98Š| ||
| 72 | N | 48.5 | Very low | 53.7 | Low | 134 Ų | 134 | 156.8 Ų | 156.8 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | trans | 137.9 | 97.5 | 150.6 | -171.1 | 26.6 | 0 | 0 | 0 | 112.6 | D70 | D70-N72 PolarHBondContact O-N 2.85Š| ||
| 73 | E | 43.6 | Very low | 54.9 | Low | 166 Ų | 166 | 159.8 Ų | 159.8 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | 177.3 | 126.6 | 116.5 | -105.6 | -174.7 | 136.3 | 0 | 0 | 112.8 | |||||
| 74 | S | 50.9 | Low | 56.5 | Low | 91 Ų | 91 | 155.9 Ų | 155.9 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | trans | 31.6 | 112.6 | 149.2 | 68.1 | 0 | 0 | 0 | 0 | 120 | R76 | S74-R76 PolarHBondContact O-N 2.99Š| ||
| 75 | R | 53.6 | Low | 58.6 | Low | 238 Ų | 238 | 156.7 Ų | 156.7 | 90% | 0.898 | 76% | 0.757 | S | S | * | * | trans | -40.2 | 104.5 | 164.5 | -57.9 | 175.6 | -179.4 | -162.6 | -2.1 | 112.8 | ||||
| 76 | R | 55.3 | Low | 60.6 | Low | 223 Ų | 223 | 158.7 Ų | 158.7 | 84% | 0.842 | 76% | 0.76 | S | S | * | * | trans | -119.5 | 105.6 | 155.3 | -68.7 | -163.8 | 178.5 | -145.6 | 1 | 109.5 | S74 G78 | S74-R76 PolarHBondContact O-N 2.99Å; R76-G78 PolarHBondContact O-N 2.93Å; R76-G78 VanDerWaalsContact O-N 3.16Å | ||
| 77 | R | 57.3 | Low | 62.7 | Low | 249 Ų | 249 | 153.4 Ų | 153.4 | 94% | 0.94 | 75% | 0.747 | S | S | * | * | trans | -69.9 | 100.7 | 176.4 | -68.3 | 177.2 | 176.9 | 177.8 | -2.2 | 109.2 | ||||
| 78 | G | 69 | Low | 65 | Low | 47 Ų | 47 | 158.6 Ų | 158.6 | 49% | 0.485 | 75% | 0.75 | S | S | . | * | S | Bend | trans | -169.4 | 141.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | R76 K80 | R76-G78 PolarHBondContact O-N 2.93Å; R76-G78 VanDerWaalsContact O-N 3.16Å; G78-K80 PolarHBondContact O-N 3.42Å |
| 79 | P | 63.6 | Low | 67.1 | Low | 136 Ų | 136 | 153.7 Ų | 153.7 | 88% | 0.883 | 72% | 0.723 | S | S | * | * | trans | -62.7 | 96.8 | 179.1 | -19 | 30.9 | 0 | 0 | 0 | 110.1 | K81 | P79-K81 PolarHBondContact O-N 3.2Š| ||
| 80 | K | 62 | Low | 69.6 | Low | 191 Ų | 191 | 150.6 Ų | 150.6 | 83% | 0.83 | 71% | 0.708 | S | S | * | * | trans | -64.7 | 110.2 | 170.5 | -75.4 | -175.5 | 178.8 | 178.5 | 0 | 106.5 | G78 K82 | G78-K80 PolarHBondContact O-N 3.42Å; K80-K82 PolarHBondContact O-N 3.45Å | ||
| 81 | K | 64.8 | Low | 71.9 | Confident | 202 Ų | 202 | 148 Ų | 148 | 88% | 0.878 | 69% | 0.687 | S | S | * | * | trans | -64.1 | 86 | 170.4 | -67.6 | -179.5 | 179.9 | 178.2 | 0 | 108.1 | P79 R83 | P79-K81 PolarHBondContact O-N 3.2Å; K81-R83 PolarHBondContact O-N 2.94Å | ||
| 82 | K | 73.2 | Confident | 73.9 | Confident | 164 Ų | 164 | 145 Ų | 145 | 71% | 0.713 | 67% | 0.671 | S | S | * | * | trans | -56.8 | 113.6 | 173.4 | -160.6 | 175.5 | -178.5 | -176.9 | 0 | 105.9 | D65 K80 M84 | D65-K82 IonicContact OD1-NZ 3.98Å; D65-K82 PolarHBondContact OD1-NZ 2.72Å; D65-K82 IonicContact OD2-NZ 3.98Å; K80-K82 PolarHBondContact O-N 3.45Å; K82-M84 PolarHBondContact O-N 2.89Å | ||
| 83 | R | 76.4 | Confident | 76.2 | Confident | 235 Ų | 235 | 144.1 Ų | 144.1 | 89% | 0.887 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -60 | 129.6 | 179 | -69.1 | 177.3 | 66.7 | -167.9 | 0.3 | 107.4 | K81 T85 | K81-R83 PolarHBondContact O-N 2.94Å; R83-T85 PolarHBondContact O-N 2.86Å |
| 84 | M | 83.1 | Confident | 78.8 | Confident | 70 Ų | 70 | 138.9 Ų | 138.9 | 35% | 0.345 | 64% | 0.643 | S | S | . | * | P | Polyproline II helix | trans | -61.6 | 135 | 179.7 | -66.3 | -144 | -55.5 | 0 | 0 | 110.9 | K82 R88 Q89 | K82-M84 PolarHBondContact O-N 2.89Å; M84-R88 HydrophobicContact CE-CG 4.45Å; M84-R88 HydrophobicContact SD-CG 3.84Å; M84-R88 PolarHBondContact SD-NE 2.69Å; M84-Q89 HydrophobicContact CB-CG 3.91Å; M84-Q89 HydrophobicContact CE-CG 4.04Å; M84-Q89 PolarHBondContact O-NE2 3.29Å |
| 85 | T | 92.3 | Very high | 81.1 | Confident | 101 Ų | 101 | 139.7 Ų | 139.7 | 62% | 0.62 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 151 | 172.3 | -45.2 | 0 | 0 | 0 | 0 | 111.2 | R83 A87 R88 Q89 | R83-T85 PolarHBondContact O-N 2.86Å; T85-A87 VanDerWaalsContact C-N 3.31Å; T85-A87 PolarHBondContact O-N 3.31Å; T85-R88 PolarHBondContact O-N 3.27Å; T85-R88 VanDerWaalsContact O-N 3.14Å; T85-Q89 WeakPolarHBondContact O-CG 3.34Å; T85-Q89 PolarHBondContact O-N 3.41Å |
| 86 | K | 92.3 | Very high | 83.2 | Confident | 163 Ų | 163 | 135.3 Ų | 135.3 | 71% | 0.709 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -55 | -43.8 | 179.6 | -172.6 | -177.1 | 174.5 | -170.8 | 0 | 112.3 | Q89 E90 | K86-Q89 WeakPolarHBondContact O-CB 3.49Å; K86-Q89 PolarHBondContact O-N 3.11Å; K86-E90 PolarHBondContact O-N 3.47Å |
| 87 | A | 92.9 | Very high | 85.2 | Confident | 67 Ų | 67 | 130 Ų | 130 | 55% | 0.554 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -59.6 | -46.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | T85 Q89 E90 R91 | T85-A87 VanDerWaalsContact C-N 3.31Å; T85-A87 PolarHBondContact O-N 3.31Å; A87-Q89 VanDerWaalsContact C-N 3.32Å; A87-Q89 PolarHBondContact O-N 3.48Å; A87-E90 WeakPolarHBondContact O-CB 3.48Å; A87-E90 PolarHBondContact O-N 3.33Å; A87-E90 VanDerWaalsContact O-N 3.07Å; A87-R91 PolarHBondContact O-N 3.38Å |
| 88 | R | 93.1 | Very high | 87.2 | Confident | 160 Ų | 160 | 121.2 Ų | 121.2 | 60% | 0.604 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.8 | -38.7 | 175.8 | -171.1 | 176.5 | 179 | -160.9 | -0 | 112.5 | M84 T85 E90 F92 | M84-R88 HydrophobicContact CE-CG 4.45Å; M84-R88 HydrophobicContact SD-CG 3.84Å; M84-R88 PolarHBondContact SD-NE 2.69Å; T85-R88 PolarHBondContact O-N 3.27Å; T85-R88 VanDerWaalsContact O-N 3.14Å; R88-E90 VanDerWaalsContact C-N 3.31Å; R88-F92 WeakPolarHBondContact O-CB 3.44Å; R88-F92 PolarHBondContact O-N 2.89Å |
| 89 | Q | 94.3 | Very high | 88.6 | Confident | 66 Ų | 66 | 121.1 Ų | 121.1 | 31% | 0.308 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.2 | -37.5 | 174.1 | -65.4 | 174 | 25.7 | 0 | 0 | 111.8 | M84 T85 K86 A87 R93 | M84-Q89 HydrophobicContact CB-CG 3.91Å; M84-Q89 HydrophobicContact CE-CG 4.04Å; M84-Q89 PolarHBondContact O-NE2 3.29Å; T85-Q89 WeakPolarHBondContact O-CG 3.34Å; T85-Q89 PolarHBondContact O-N 3.41Å; K86-Q89 WeakPolarHBondContact O-CB 3.49Å; K86-Q89 PolarHBondContact O-N 3.11Å; A87-Q89 VanDerWaalsContact C-N 3.32Å; A87-Q89 PolarHBondContact O-N 3.48Å; Q89-R93 VanDerWaalsContact O-CG 3.3Å; Q89-R93 WeakPolarHBondContact O-CG 3.4Å; Q89-R93 PolarHBondContact O-N 3.45Å; Q89-R93 VanDerWaalsContact OE1-NH2 3.09Å |
| 90 | E | 95.6 | Very high | 90.3 | Very high | 123 Ų | 123 | 118.2 Ų | 118.2 | 58% | 0.575 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -68.8 | -46.9 | 177.4 | -173.1 | 162.7 | -157.5 | 0 | 0 | 112.2 | K86 A87 R88 F92 R93 A94 | K86-E90 PolarHBondContact O-N 3.47Å; A87-E90 WeakPolarHBondContact O-CB 3.48Å; A87-E90 PolarHBondContact O-N 3.33Å; A87-E90 VanDerWaalsContact O-N 3.07Å; R88-E90 VanDerWaalsContact C-N 3.31Å; E90-F92 VanDerWaalsContact C-N 3.26Å; E90-F92 PolarHBondContact O-N 3.03Å; E90-R93 WeakPolarHBondContact O-CB 3.3Å; E90-R93 PolarHBondContact O-N 2.94Å; E90-A94 PolarHBondContact O-N 3.25Å |
| 91 | R | 95.3 | Very high | 92 | Very high | 95 Ų | 95 | 111.3 Ų | 111.3 | 36% | 0.358 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -55 | -43.2 | 172.4 | -169.4 | 179.9 | -174.7 | -149.1 | 4.7 | 111.2 | D60 A87 A94 R95 | D60-R91 IonicContact OD1-CZ 2.99Å; D60-R91 IonicContact OD1-NH1 3.11Å; D60-R91 IonicContact OD1-NH2 2.61Å; D60-R91 PolarHBondContact OD1-NH2 2.83Å; A87-R91 PolarHBondContact O-N 3.38Å; R91-A94 PolarHBondContact O-N 3.34Å; R91-R95 WeakPolarHBondContact O-CG 3.36Å; R91-R95 PolarHBondContact O-N 3.44Å |
| 92 | F | 96 | Very high | 93.6 | Very high | 124 Ų | 124 | 108.4 Ų | 108.4 | 54% | 0.544 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 175.5 | -178.8 | -96 | 0 | 0 | 0 | 112.6 | R88 E90 R95 R96 | R88-F92 WeakPolarHBondContact O-CB 3.44Å; R88-F92 PolarHBondContact O-N 2.89Å; E90-F92 VanDerWaalsContact C-N 3.26Å; E90-F92 PolarHBondContact O-N 3.03Å; F92-R95 PolarHBondContact O-N 2.65Å; F92-R96 WeakPolarHBondContact O-CB 3.37Å; F92-R96 PolarHBondContact O-N 3.44Å |
| 93 | R | 96.9 | Very high | 94.9 | Very high | 115 Ų | 115 | 104.8 Ų | 104.8 | 43% | 0.434 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 175.8 | -73.6 | 176.2 | -162.6 | 119.5 | 6.2 | 111.2 | Q89 E90 R96 I97 | Q89-R93 VanDerWaalsContact O-CG 3.3Å; Q89-R93 WeakPolarHBondContact O-CG 3.4Å; Q89-R93 PolarHBondContact O-N 3.45Å; Q89-R93 VanDerWaalsContact OE1-NH2 3.09Å; E90-R93 WeakPolarHBondContact O-CB 3.3Å; E90-R93 PolarHBondContact O-N 2.94Å; R93-R96 PolarHBondContact O-N 3.2Å; R93-I97 WeakPolarHBondContact O-CG1 3.4Å; R93-I97 PolarHBondContact O-N 3.13Å |
| 94 | A | 97.3 | Very high | 95.9 | Very high | 56 Ų | 56 | 101 Ų | 101 | 46% | 0.463 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.3 | -48.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E90 R91 R96 I97 K98 | E90-A94 PolarHBondContact O-N 3.25Å; R91-A94 PolarHBondContact O-N 3.34Å; A94-R96 VanDerWaalsContact C-N 3.31Å; A94-R96 PolarHBondContact O-N 2.99Å; A94-I97 PolarHBondContact O-N 3.46Å; A94-I97 VanDerWaalsContact O-N 3.12Å; A94-K98 PolarHBondContact O-N 3.16Å |
| 95 | R | 98.2 | Very high | 96.7 | Very high | 109 Ų | 109 | 101.6 Ų | 101.6 | 41% | 0.411 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -56.7 | -43.4 | 174.8 | -74.9 | 175.3 | 169.8 | -172.6 | -8.8 | 112.2 | E58 R91 F92 K98 A99 | E58-R95 IonicContact OE2-NH2 3.77Å; R91-R95 WeakPolarHBondContact O-CG 3.36Å; R91-R95 PolarHBondContact O-N 3.44Å; F92-R95 PolarHBondContact O-N 2.65Å; R95-K98 PolarHBondContact O-N 3.35Å; R95-A99 WeakPolarHBondContact O-CB 3.16Å; R95-A99 PolarHBondContact O-N 3.27Å |
| 96 | R | 98.4 | Very high | 97 | Very high | 146 Ų | 146 | 104 Ų | 104 | 55% | 0.551 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.4 | -40.5 | 176.9 | -167.8 | 178.6 | 70.1 | 163.7 | 3.2 | 112.2 | F92 R93 A94 A99 N100 | F92-R96 WeakPolarHBondContact O-CB 3.37Å; F92-R96 PolarHBondContact O-N 3.44Å; R93-R96 PolarHBondContact O-N 3.2Å; A94-R96 VanDerWaalsContact C-N 3.31Å; A94-R96 PolarHBondContact O-N 2.99Å; R96-A99 PolarHBondContact O-N 3.48Å; R96-N100 WeakPolarHBondContact O-CB 3.22Å; R96-N100 PolarHBondContact O-N 3.01Å |
| 97 | I | 98.4 | Very high | 97.3 | Very high | 110 Ų | 110 | 99 Ų | 99 | 56% | 0.564 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -64.2 | -47.4 | 176.5 | -69 | 165 | 0 | 0 | 0 | 110.5 | R93 A94 A99 N100 A101 | R93-I97 WeakPolarHBondContact O-CG1 3.4Å; R93-I97 PolarHBondContact O-N 3.13Å; A94-I97 PolarHBondContact O-N 3.46Å; A94-I97 VanDerWaalsContact O-N 3.12Å; I97-A99 VanDerWaalsContact C-N 3.35Å; I97-A99 PolarHBondContact O-N 3.33Å; I97-N100 PolarHBondContact O-N 3.12Å; I97-A101 PolarHBondContact O-N 2.96Å |
| 98 | K | 98.4 | Very high | 97.5 | Very high | 66 Ų | 66 | 101.3 Ų | 101.3 | 29% | 0.287 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -58.1 | -44.8 | 176.2 | -167.5 | -177.7 | -176.8 | 178.9 | 0 | 111.3 | D56 E58 A94 R95 A101 R102 | D56-K98 IonicContact OD1-NZ 3.75Å; D56-K98 WeakPolarHBondContact OD2-CE 3.29Å; D56-K98 IonicContact OD2-NZ 2.9Å; D56-K98 PolarHBondContact OD2-NZ 3.42Å; E58-K98 IonicContact OE1-NZ 2.84Å; E58-K98 PolarHBondContact OE1-NZ 3.21Å; E58-K98 VanDerWaalsContact OE1-NZ 3.11Å; A94-K98 PolarHBondContact O-N 3.16Å; R95-K98 PolarHBondContact O-N 3.35Å; K98-A101 PolarHBondContact O-N 3.37Å; K98-R102 WeakPolarHBondContact O-CG 3.43Å; K98-R102 PolarHBondContact O-N 3Å; K98-R102 VanDerWaalsContact O-N 3.12Å |
| 99 | A | 98.5 | Very high | 97.8 | Very high | 44 Ų | 44 | 95.6 Ų | 95.6 | 36% | 0.364 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63 | -45.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R95 R96 I97 A101 R102 E103 | R95-A99 WeakPolarHBondContact O-CB 3.16Å; R95-A99 PolarHBondContact O-N 3.27Å; R96-A99 PolarHBondContact O-N 3.48Å; I97-A99 VanDerWaalsContact C-N 3.35Å; I97-A99 PolarHBondContact O-N 3.33Å; A99-A101 VanDerWaalsContact C-N 3.33Å; A99-A101 PolarHBondContact O-N 2.92Å; A99-R102 PolarHBondContact O-N 3.13Å; A99-E103 PolarHBondContact O-N 2.95Å |
| 100 | N | 98.7 | Very high | 98 | Very high | 76 Ų | 76 | 97 Ų | 97 | 41% | 0.406 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.9 | -37.6 | 177.5 | -73.6 | -9.6 | 0 | 0 | 0 | 112.3 | R96 I97 E103 R104 | R96-N100 WeakPolarHBondContact O-CB 3.22Å; R96-N100 PolarHBondContact O-N 3.01Å; I97-N100 PolarHBondContact O-N 3.12Å; N100-E103 PolarHBondContact O-N 3.47Å; N100-R104 WeakPolarHBondContact O-CG 2.97Å; N100-R104 PolarHBondContact O-N 3.12Å |
| 101 | A | 98.6 | Very high | 98.1 | Very high | 45 Ų | 45 | 93.8 Ų | 93.8 | 37% | 0.372 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.7 | -45.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | I97 K98 A99 E103 R104 S105 | I97-A101 PolarHBondContact O-N 2.96Å; K98-A101 PolarHBondContact O-N 3.37Å; A99-A101 VanDerWaalsContact C-N 3.33Å; A99-A101 PolarHBondContact O-N 2.92Å; A101-E103 PolarHBondContact O-N 2.73Å; A101-R104 PolarHBondContact O-N 3.04Å; A101-S105 PolarHBondContact O-N 3.04Å; A101-S105 PolarHBondContact O-OG 3.43Å |
| 102 | R | 98.7 | Very high | 98.3 | Very high | 142 Ų | 142 | 94 Ų | 94 | 54% | 0.536 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60 | -44.4 | 176.1 | -72.5 | -176.1 | -76.7 | -133.8 | 3.9 | 112.8 | K98 A99 R104 S105 R106 | K98-R102 WeakPolarHBondContact O-CG 3.43Å; K98-R102 PolarHBondContact O-N 3Å; K98-R102 VanDerWaalsContact O-N 3.12Å; A99-R102 PolarHBondContact O-N 3.13Å; R102-R104 VanDerWaalsContact C-N 3.33Å; R102-R104 PolarHBondContact O-N 3.38Å; R102-S105 PolarHBondContact O-N 3.27Å; R102-R106 PolarHBondContact O-N 3.39Å |
| 103 | E | 98.7 | Very high | 98.4 | Very high | 88 Ų | 88 | 90.8 Ų | 90.8 | 41% | 0.411 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66.6 | -35.6 | 178.6 | 179.7 | 56.2 | -167.6 | 0 | 0 | 112.1 | A99 N100 A101 R106 M107 | A99-E103 PolarHBondContact O-N 2.95Å; N100-E103 PolarHBondContact O-N 3.47Å; A101-E103 PolarHBondContact O-N 2.73Å; E103-R106 PolarHBondContact O-N 3.5Å; E103-R106 IonicContact OE1-NH1 3.02Å; E103-R106 PolarHBondContact OE1-NH1 3.47Å; E103-R106 WeakPolarHBondContact OE2-CD 3.45Å; E103-R106 IonicContact OE2-CZ 3.79Å; E103-R106 IonicContact OE2-NH1 2.78Å; E103-R106 PolarHBondContact OE2-NH1 3.46Å; E103-R106 VanDerWaalsContact OE2-NH1 3.1Å; E103-M107 HydrophobicContact CG-CG 4.47Å; E103-M107 WeakPolarHBondContact O-CB 3.3Å; E103-M107 VanDerWaalsContact O-CG 3.31Å; E103-M107 WeakPolarHBondContact O-CG 3.38Å; E103-M107 PolarHBondContact O-N 2.94Å; E103-M107 WeakPolarHBondContact OE1-CG 3.48Å |
| 104 | R | 98.8 | Very high | 98.5 | Very high | 154 Ų | 154 | 86.3 Ų | 86.3 | 58% | 0.581 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -60.8 | -48.1 | 171.4 | -72 | -178.8 | -165 | 126.2 | -2.8 | 111.3 | N100 A101 R102 R106 M107 H108 | N100-R104 WeakPolarHBondContact O-CG 2.97Å; N100-R104 PolarHBondContact O-N 3.12Å; A101-R104 PolarHBondContact O-N 3.04Å; R102-R104 VanDerWaalsContact C-N 3.33Å; R102-R104 PolarHBondContact O-N 3.38Å; R104-R106 VanDerWaalsContact C-N 3.32Å; R104-R106 PolarHBondContact O-N 3.33Å; R104-M107 CarbonylContact O-C 3.57Å; R104-M107 PolarHBondContact O-N 2.8Å; R104-M107 VanDerWaalsContact O-N 3.12Å; R104-H108 PolarHBondContact O-CD2 3.47Å; R104-H108 PolarHBondContact O-N 2.98Å |
| 105 | S | 98.6 | Very high | 98.5 | Very high | 83 Ų | 83 | 86.1 Ų | 86.1 | 58% | 0.58 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -59.2 | -42.5 | 177.4 | -60.9 | 0 | 0 | 0 | 0 | 112.4 | A101 R102 M107 H108 G109 | A101-S105 PolarHBondContact O-N 3.04Å; A101-S105 PolarHBondContact O-OG 3.43Å; R102-S105 PolarHBondContact O-N 3.27Å; S105-M107 VanDerWaalsContact C-N 3.35Å; S105-M107 PolarHBondContact O-N 3.29Å; S105-H108 PolarHBondContact O-N 3.4Å; S105-G109 PolarHBondContact O-N 3.49Å; S105-G109 VanDerWaalsContact O-N 3.09Å |
| 106 | R | 98.8 | Very high | 98.5 | Very high | 152 Ų | 152 | 86 Ų | 86 | 57% | 0.574 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -60 | -44.5 | 173.7 | -179.9 | 178.5 | 159.7 | -80.9 | -8.6 | 111.8 | R102 E103 R104 G109 L110 | R102-R106 PolarHBondContact O-N 3.39Å; E103-R106 PolarHBondContact O-N 3.5Å; E103-R106 IonicContact OE1-NH1 3.02Å; E103-R106 PolarHBondContact OE1-NH1 3.47Å; E103-R106 WeakPolarHBondContact OE2-CD 3.45Å; E103-R106 IonicContact OE2-CZ 3.79Å; E103-R106 IonicContact OE2-NH1 2.78Å; E103-R106 PolarHBondContact OE2-NH1 3.46Å; E103-R106 VanDerWaalsContact OE2-NH1 3.1Å; R104-R106 VanDerWaalsContact C-N 3.32Å; R104-R106 PolarHBondContact O-N 3.33Å; R106-G109 PolarHBondContact O-N 3.09Å; R106-L110 PolarHBondContact O-N 3.3Å; R106-L110 VanDerWaalsContact O-N 3.1Å |
| 107 | M | 98.7 | Very high | 98.4 | Very high | 59 Ų | 59 | 81.3 Ų | 81.3 | 29% | 0.291 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -68.2 | -33 | 178.1 | -74.3 | -56.8 | -54.4 | 0 | 0 | 113 | E103 R104 S105 L110 N111 | E103-M107 HydrophobicContact CG-CG 4.47Å; E103-M107 WeakPolarHBondContact O-CB 3.3Å; E103-M107 VanDerWaalsContact O-CG 3.31Å; E103-M107 WeakPolarHBondContact O-CG 3.38Å; E103-M107 PolarHBondContact O-N 2.94Å; E103-M107 WeakPolarHBondContact OE1-CG 3.48Å; R104-M107 CarbonylContact O-C 3.57Å; R104-M107 PolarHBondContact O-N 2.8Å; R104-M107 VanDerWaalsContact O-N 3.12Å; S105-M107 VanDerWaalsContact C-N 3.35Å; S105-M107 PolarHBondContact O-N 3.29Å; M107-L110 HydrophobicContact CE-CD2 4.05Å; M107-L110 PolarHBondContact O-N 3.4Å; M107-L110 HydrophobicContact SD-CD2 4.19Å; M107-N111 WeakPolarHBondContact O-CB 3.41Å; M107-N111 VanDerWaalsContact O-CG 3.24Å; M107-N111 PolarHBondContact O-N 3.48Å; M107-N111 PolarHBondContact O-ND2 3.03Å; M107-N111 VanDerWaalsContact O-ND2 3.1Å |
| 108 | H | 98.6 | Very high | 98.4 | Very high | 114 Ų | 114 | 77.7 Ų | 77.7 | 53% | 0.528 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.5 | -51.4 | 171 | -72.5 | -60.1 | 0 | 0 | 0 | 110.4 | R104 S105 L110 N111 D112 | R104-H108 PolarHBondContact O-CD2 3.47Å; R104-H108 PolarHBondContact O-N 2.98Å; S105-H108 PolarHBondContact O-N 3.4Å; H108-L110 VanDerWaalsContact C-N 3.3Å; H108-L110 PolarHBondContact O-N 3.26Å; H108-N111 PolarHBondContact O-N 3.29Å; H108-D112 VanDerWaalsContact O-CG 3.22Å; H108-D112 PolarHBondContact O-N 2.94Å |
| 109 | G | 98.4 | Very high | 98.3 | Very high | 41 Ų | 41 | 77.6 Ų | 77.6 | 42% | 0.423 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -57.9 | -38.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S105 R106 D112 A113 | S105-G109 PolarHBondContact O-N 3.49Å; S105-G109 VanDerWaalsContact O-N 3.09Å; R106-G109 PolarHBondContact O-N 3.09Å; G109-D112 PolarHBondContact O-N 3.14Å; G109-A113 PolarHBondContact O-N 3.39Å |
| 110 | L | 98.5 | Very high | 98.1 | Very high | 94 Ų | 94 | 80.9 Ų | 80.9 | 49% | 0.492 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.7 | -42 | 174.7 | -179.8 | 63.7 | 0 | 0 | 0 | 112.6 | R106 M107 H108 D112 A113 L114 | R106-L110 PolarHBondContact O-N 3.3Å; R106-L110 VanDerWaalsContact O-N 3.1Å; M107-L110 HydrophobicContact CE-CD2 4.05Å; M107-L110 PolarHBondContact O-N 3.4Å; M107-L110 HydrophobicContact SD-CD2 4.19Å; H108-L110 VanDerWaalsContact C-N 3.3Å; H108-L110 PolarHBondContact O-N 3.26Å; L110-D112 VanDerWaalsContact C-N 3.33Å; L110-A113 PolarHBondContact O-N 3.44Å; L110-L114 PolarHBondContact O-N 2.92Å |
| 111 | N | 98.4 | Very high | 98 | Very high | 57 Ų | 57 | 77.8 Ų | 77.8 | 31% | 0.305 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -69 | -35.1 | 179.2 | -70.1 | -35.5 | 0 | 0 | 0 | 111.4 | M107 H108 L114 E115 K132 | M107-N111 WeakPolarHBondContact O-CB 3.41Å; M107-N111 VanDerWaalsContact O-CG 3.24Å; M107-N111 PolarHBondContact O-N 3.48Å; M107-N111 PolarHBondContact O-ND2 3.03Å; M107-N111 VanDerWaalsContact O-ND2 3.1Å; H108-N111 PolarHBondContact O-N 3.29Å; N111-L114 PolarHBondContact O-N 2.98Å; N111-E115 PolarHBondContact O-N 3.03Å; N111-K132 PolarHBondContact OD1-NZ 2.9Å; N111-K132 VanDerWaalsContact OD1-NZ 3.13Å |
| 112 | D | 98.4 | Very high | 97.5 | Very high | 99 Ų | 99 | 77.1 Ų | 77.1 | 53% | 0.529 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.4 | -44.4 | 175 | -64.1 | -18.6 | 0 | 0 | 0 | 110.8 | H108 G109 L110 L114 E115 N116 | H108-D112 VanDerWaalsContact O-CG 3.22Å; H108-D112 PolarHBondContact O-N 2.94Å; G109-D112 PolarHBondContact O-N 3.14Å; L110-D112 VanDerWaalsContact C-N 3.33Å; D112-L114 VanDerWaalsContact C-N 3.31Å; D112-L114 PolarHBondContact O-N 3.39Å; D112-E115 PolarHBondContact O-N 3.34Å; D112-E115 VanDerWaalsContact O-N 3.14Å; D112-N116 PolarHBondContact O-N 2.98Å; D112-N116 PolarHBondContact O-ND2 2.84Å |
| 113 | A | 98.6 | Very high | 97 | Very high | 57 Ų | 57 | 70.5 Ų | 70.5 | 47% | 0.471 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.9 | -40.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | G109 L110 E115 N116 L117 | G109-A113 PolarHBondContact O-N 3.39Å; L110-A113 PolarHBondContact O-N 3.44Å; A113-E115 VanDerWaalsContact C-N 3.35Å; A113-N116 PolarHBondContact O-N 3.49Å; A113-L117 PolarHBondContact O-N 3.03Å |
| 114 | L | 98.4 | Very high | 96.5 | Very high | 21 Ų | 21 | 70.2 Ų | 70.2 | 11% | 0.11 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.6 | -36.4 | 175.4 | -177.2 | 66.6 | 0 | 0 | 0 | 112.1 | L110 N111 D112 L117 R118 K132 T135 | L110-L114 PolarHBondContact O-N 2.92Å; N111-L114 PolarHBondContact O-N 2.98Å; D112-L114 VanDerWaalsContact C-N 3.31Å; D112-L114 PolarHBondContact O-N 3.39Å; L114-L117 HydrophobicContact CD1-CD2 4.37Å; L114-L117 WeakPolarHBondContact O-CB 3.14Å; L114-L117 PolarHBondContact O-N 2.93Å; L114-R118 WeakPolarHBondContact O-CG 3.43Å; L114-R118 PolarHBondContact O-N 3.32Å; L114-K132 HydrophobicContact CD2-CB 4.18Å; L114-K132 HydrophobicContact CD2-CD 4.07Å; L114-K132 HydrophobicContact CD2-CG 3.66Å; L114-T135 HydrophobicContact CD1-CG2 3.84Å |
| 115 | E | 97.4 | Very high | 95.9 | Very high | 51 Ų | 51 | 64.1 Ų | 64.1 | 24% | 0.238 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.6 | -40.8 | 176.1 | -165.1 | 65.3 | -164.8 | 0 | 0 | 111.7 | N111 D112 A113 L117 R118 S119 K129 | N111-E115 PolarHBondContact O-N 3.03Å; D112-E115 PolarHBondContact O-N 3.34Å; D112-E115 VanDerWaalsContact O-N 3.14Å; A113-E115 VanDerWaalsContact C-N 3.35Å; E115-L117 VanDerWaalsContact C-N 3.27Å; E115-L117 PolarHBondContact O-N 3.33Å; E115-R118 WeakPolarHBondContact O-CB 3.25Å; E115-R118 PolarHBondContact O-N 3.5Å; E115-R118 IonicContact OE2-CZ 3.77Å; E115-R118 IonicContact OE2-NH1 3.83Å; E115-R118 PolarHBondContact OE2-NH1 3.48Å; E115-S119 PolarHBondContact O-N 3.24Å; E115-K129 WeakPolarHBondContact OE1-CE 3.34Å; E115-K129 IonicContact OE1-NZ 3.94Å; E115-K129 PolarHBondContact OE1-NZ 3.06Å; E115-K129 IonicContact OE2-NZ 2.89Å; E115-K129 PolarHBondContact OE2-NZ 3.35Å |
| 116 | N | 97.6 | Very high | 95.2 | Very high | 108 Ų | 108 | 69.2 Ų | 69.2 | 58% | 0.578 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -57.8 | -42.9 | 171 | -70.6 | -25.1 | 0 | 0 | 0 | 110.8 | D112 A113 R118 S119 | D112-N116 PolarHBondContact O-N 2.98Å; D112-N116 PolarHBondContact O-ND2 2.84Å; A113-N116 PolarHBondContact O-N 3.49Å; N116-R118 VanDerWaalsContact C-N 3.35Å; N116-R118 PolarHBondContact O-N 2.92Å; N116-S119 WeakPolarHBondContact O-CB 3.47Å; N116-S119 PolarHBondContact O-N 3.44Å; N116-S119 VanDerWaalsContact O-N 3.16Å; N116-S119 PolarHBondContact O-OG 2.9Å |
| 117 | L | 98.2 | Very high | 94.6 | Very high | 47 Ų | 47 | 68.6 Ų | 68.6 | 25% | 0.246 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 173.5 | -178.6 | 62.2 | 0 | 0 | 0 | 112.1 | A113 L114 E115 S119 I120 M121 T135 L136 A139 | A113-L117 PolarHBondContact O-N 3.03Å; L114-L117 HydrophobicContact CD1-CD2 4.37Å; L114-L117 WeakPolarHBondContact O-CB 3.14Å; L114-L117 PolarHBondContact O-N 2.93Å; E115-L117 VanDerWaalsContact C-N 3.27Å; E115-L117 PolarHBondContact O-N 3.33Å; L117-S119 VanDerWaalsContact C-N 3.26Å; L117-S119 PolarHBondContact O-N 2.91Å; L117-I120 HydrophobicContact CD1-CD1 4.08Å; L117-I120 HydrophobicContact CD1-CG1 4.29Å; L117-I120 WeakPolarHBondContact O-CG1 3.34Å; L117-I120 PolarHBondContact O-N 2.9Å; L117-M121 HydrophobicContact CD1-CE 3.72Å; L117-M121 HydrophobicContact CG-CE 4.25Å; L117-M121 WeakPolarHBondContact O-CE 3.4Å; L117-M121 WeakPolarHBondContact O-CG 3.44Å; L117-T135 HydrophobicContact CD2-CG2 3.94Å; L117-T135 HydrophobicContact CG-CG2 4.02Å; L117-L136 HydrophobicContact CD2-CD2 4.28Å; L117-A139 HydrophobicContact CD1-CB 4.06Å; L117-A139 HydrophobicContact CD2-CB 4.16Å; L117-A139 HydrophobicContact CG-CB 4.42Å |
| 118 | R | 97.2 | Very high | 94.1 | Very high | 33 Ų | 33 | 70.8 Ų | 70.8 | 13% | 0.125 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.9 | -31.6 | 175.9 | -71.2 | -179.4 | -175.4 | 113.5 | 2.7 | 113.2 | L114 E115 N116 I120 M121 H124 L130 T135 | L114-R118 WeakPolarHBondContact O-CG 3.43Å; L114-R118 PolarHBondContact O-N 3.32Å; E115-R118 WeakPolarHBondContact O-CB 3.25Å; E115-R118 PolarHBondContact O-N 3.5Å; E115-R118 IonicContact OE2-CZ 3.77Å; E115-R118 IonicContact OE2-NH1 3.83Å; E115-R118 PolarHBondContact OE2-NH1 3.48Å; N116-R118 VanDerWaalsContact C-N 3.35Å; N116-R118 PolarHBondContact O-N 2.92Å; R118-I120 VanDerWaalsContact C-N 3.26Å; R118-I120 PolarHBondContact O-N 3.34Å; R118-M121 PolarHBondContact O-N 3.17Å; R118-H124 PolarHBondContact O-ND1 2.9Å; R118-L130 PolarHBondContact NE-O 3.25Å; R118-L130 PolarHBondContact NH2-O 3.19Å; R118-T135 HydrophobicContact CG-CG2 3.67Å; R118-T135 PolarHBondContact NE-OG1 2.89Å |
| 119 | S | 95.7 | Very high | 93.9 | Very high | 64 Ų | 64 | 71.3 Ų | 71.3 | 45% | 0.448 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.9 | -27.8 | -178.2 | 77.7 | 0 | 0 | 0 | 0 | 113.2 | E115 N116 L117 | E115-S119 PolarHBondContact O-N 3.24Å; N116-S119 WeakPolarHBondContact O-CB 3.47Å; N116-S119 PolarHBondContact O-N 3.44Å; N116-S119 VanDerWaalsContact O-N 3.16Å; N116-S119 PolarHBondContact O-OG 2.9Å; L117-S119 VanDerWaalsContact C-N 3.26Å; L117-S119 PolarHBondContact O-N 2.91Å |
| 120 | I | 95.6 | Very high | 93.8 | Very high | 113 Ų | 113 | 70.1 Ų | 70.1 | 58% | 0.579 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | 4.1 | -179.9 | 63.1 | 166.2 | 0 | 0 | 0 | 113.2 | L117 R118 | L117-I120 HydrophobicContact CD1-CD1 4.08Å; L117-I120 HydrophobicContact CD1-CG1 4.29Å; L117-I120 WeakPolarHBondContact O-CG1 3.34Å; L117-I120 PolarHBondContact O-N 2.9Å; R118-I120 VanDerWaalsContact C-N 3.26Å; R118-I120 PolarHBondContact O-N 3.34Å |
| 121 | M | 95.3 | Very high | 93.7 | Very high | 12 Ų | 12 | 68.5 Ų | 68.5 | 6% | 0.059 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -75.7 | 145.4 | 176.4 | -66.8 | -63.5 | 98.1 | 0 | 0 | 110.9 | L117 R118 C123 H124 L138 A139 Y142 | L117-M121 HydrophobicContact CD1-CE 3.72Å; L117-M121 HydrophobicContact CG-CE 4.25Å; L117-M121 WeakPolarHBondContact O-CE 3.4Å; L117-M121 WeakPolarHBondContact O-CG 3.44Å; R118-M121 PolarHBondContact O-N 3.17Å; M121-C123 PolarHBondContact O-N 3.31Å; M121-H124 PolarHBondContact O-N 3.12Å; M121-H124 VanDerWaalsContact O-N 3.12Å; M121-L138 HydrophobicContact CB-CD2 3.98Å; M121-L138 HydrophobicContact CG-CD2 4.1Å; M121-L138 HydrophobicContact SD-CB 4.22Å; M121-L138 HydrophobicContact SD-CD2 3.94Å; M121-L138 HydrophobicContact SD-CG 3.86Å; M121-A139 HydrophobicContact CE-CB 3.9Å; M121-A139 HydrophobicContact SD-CB 4.06Å; M121-Y142 HydrophobicContact CE-CD1 4.4Å |
| 122 | P | 90.1 | Very high | 93.7 | Very high | 31 Ų | 31 | 70.9 Ų | 70.9 | 20% | 0.201 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -3.7 | -176.2 | 26.6 | -35 | 0 | 0 | 0 | 114.7 | Y142 L165 L181 | P122-Y142 HydrophobicContact CG-CD1 4.47Å; P122-Y142 HydrophobicContact CG-CD2 4.37Å; P122-Y142 HydrophobicContact CG-CE2 4.41Å; P122-Y142 HydrophobicContact CG-CG 4.41Å; P122-L165 HydrophobicContact CG-CD1 4.12Å; P122-L165 HydrophobicContact CG-CD2 3.85Å; P122-L181 HydrophobicContact CB-CD1 4.22Å; P122-L181 HydrophobicContact CB-CD2 4.48Å |
| 123 | C | 86.4 | Confident | 93.7 | Very high | 3 Ų | 3 | 70.4 Ų | 70.4 | 2% | 0.02 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.3 | 32.5 | 176.7 | 65.4 | 0 | 0 | 0 | 0 | 112.6 | M121 S125 L138 L176 V177 C180 | M121-C123 PolarHBondContact O-N 3.31Å; C123-S125 PolarHBondContact O-N 3.37Å; C123-L138 VanDerWaalsContact SG-CD2 3.53Å; C123-L176 HydrophobicContact CB-CD2 4.44Å; C123-L176 HydrophobicContact CB-CG 4.13Å; C123-V177 HydrophobicContact CB-CG2 4Å; C123-V177 VanDerWaalsContact SG-CG2 3.55Å; C123-C180 HydrophobicContact CB-CB 3.93Å |
| 124 | H | 88.5 | Confident | 93.7 | Very high | 81 Ų | 81 | 68.2 Ų | 68.2 | 38% | 0.375 | 35% | 0.35 | S | S | . | . | trans | -56.7 | 122.5 | 178.8 | 179.7 | 66.7 | 0 | 0 | 0 | 111.5 | R118 M121 | R118-H124 PolarHBondContact O-ND1 2.9Å; M121-H124 PolarHBondContact O-N 3.12Å; M121-H124 VanDerWaalsContact O-N 3.12Å | ||
| 125 | S | 87.1 | Confident | 93.6 | Very high | 27 Ų | 27 | 67.2 Ų | 67.2 | 19% | 0.189 | 35% | 0.345 | C | S | . | . | trans | -121.9 | 133 | 174.1 | 171.6 | 0 | 0 | 0 | 0 | 110.3 | C123 T127 Q128 | C123-S125 PolarHBondContact O-N 3.37Å; S125-T127 VanDerWaalsContact C-N 3.3Å; S125-T127 PolarHBondContact OG-N 3.1Å; S125-T127 PolarHBondContact OG-OG1 3.46Å; S125-Q128 WeakPolarHBondContact CB-O 3.49Å; S125-Q128 PolarHBondContact OG-N 3.37Å; S125-Q128 VanDerWaalsContact OG-N 3.12Å | ||
| 126 | K | 83.6 | Confident | 93.7 | Very high | 190 Ų | 190 | 69.6 Ų | 69.6 | 83% | 0.826 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -70.3 | -28.3 | 175.9 | -65 | -177.9 | -179.4 | 178.9 | 0 | 112.3 | ||
| 127 | T | 85.7 | Confident | 93.7 | Very high | 139 Ų | 139 | 69.7 Ų | 69.7 | 85% | 0.853 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -95.7 | -26.1 | -175.6 | 55.6 | 0 | 0 | 0 | 0 | 112.5 | S125 | S125-T127 VanDerWaalsContact C-N 3.3Å; S125-T127 PolarHBondContact OG-N 3.1Å; S125-T127 PolarHBondContact OG-OG1 3.46Å |
| 128 | Q | 88.9 | Confident | 93.7 | Very high | 104 Ų | 104 | 67.4 Ų | 67.4 | 49% | 0.486 | 34% | 0.339 | S | S | . | . | trans | -126.6 | 111.9 | -178.3 | -170.9 | -179.3 | 10.9 | 0 | 0 | 111.3 | S125 | S125-Q128 WeakPolarHBondContact CB-O 3.49Å; S125-Q128 PolarHBondContact OG-N 3.37Å; S125-Q128 VanDerWaalsContact OG-N 3.12Å | ||
| 129 | K | 93.9 | Very high | 93.8 | Very high | 125 Ų | 125 | 66.5 Ų | 66.5 | 54% | 0.543 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -90.9 | 135.4 | 177.2 | -61.6 | -171.6 | 177.1 | -156.7 | 0 | 111.1 | E115 | E115-K129 WeakPolarHBondContact OE1-CE 3.34Å; E115-K129 IonicContact OE1-NZ 3.94Å; E115-K129 PolarHBondContact OE1-NZ 3.06Å; E115-K129 IonicContact OE2-NZ 2.89Å; E115-K129 PolarHBondContact OE2-NZ 3.35Å |
| 130 | L | 95.6 | Very high | 93.9 | Very high | 17 Ų | 17 | 71 Ų | 71 | 9% | 0.089 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 144.6 | 168.2 | -63.6 | -179.8 | 0 | 0 | 0 | 110.7 | R118 E134 T135 L138 T173 L176 | R118-L130 PolarHBondContact NE-O 3.25Å; R118-L130 PolarHBondContact NH2-O 3.19Å; L130-E134 HydrophobicContact CB-CB 4.35Å; L130-T135 WeakPolarHBondContact CB-OG1 3.45Å; L130-T135 PolarHBondContact O-OG1 3.04Å; L130-L138 HydrophobicContact CD1-CD2 3.58Å; L130-T173 HydrophobicContact CD2-CG2 3.68Å; L130-L176 HydrophobicContact CD2-CD2 4.18Å |
| 131 | S | 97.3 | Very high | 94 | Very high | 60 Ų | 60 | 66 Ų | 66 | 42% | 0.42 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -61 | 162.9 | 172.3 | 79.6 | 0 | 0 | 0 | 0 | 110.7 | I133 E134 T135 | S131-I133 VanDerWaalsContact C-N 3.29Å; S131-I133 PolarHBondContact O-N 3.41Å; S131-I133 WeakPolarHBondContact OG-CG2 3.31Å; S131-E134 PolarHBondContact O-N 2.94Å; S131-E134 WeakPolarHBondContact OG-CB 3.37Å; S131-E134 VanDerWaalsContact OG-CG 3.27Å; S131-E134 WeakPolarHBondContact OG-CG 3.49Å; S131-E134 PolarHBondContact OG-N 2.82Å; S131-T135 WeakPolarHBondContact O-CB 3.48Å; S131-T135 PolarHBondContact O-N 3.43Å; S131-T135 PolarHBondContact O-OG1 3.3Å |
| 132 | K | 98.3 | Very high | 94.1 | Very high | 107 Ų | 107 | 68.5 Ų | 68.5 | 47% | 0.465 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -56.2 | -45 | 180 | -59.5 | -163 | 168 | -173.9 | 0 | 111.5 | N111 L114 L136 | N111-K132 PolarHBondContact OD1-NZ 2.9Å; N111-K132 VanDerWaalsContact OD1-NZ 3.13Å; L114-K132 HydrophobicContact CD2-CB 4.18Å; L114-K132 HydrophobicContact CD2-CD 4.07Å; L114-K132 HydrophobicContact CD2-CG 3.66Å; K132-L136 WeakPolarHBondContact O-CG 3.45Å; K132-L136 PolarHBondContact O-N 3.48Å |
| 133 | I | 98.3 | Very high | 94.5 | Very high | 88 Ų | 88 | 72.4 Ų | 72.4 | 45% | 0.451 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69.6 | -41.9 | -178.8 | -175 | 59.6 | 0 | 0 | 0 | 112.4 | S131 T135 L136 R137 | S131-I133 VanDerWaalsContact C-N 3.29Å; S131-I133 PolarHBondContact O-N 3.41Å; S131-I133 WeakPolarHBondContact OG-CG2 3.31Å; I133-T135 VanDerWaalsContact C-N 3.33Å; I133-T135 PolarHBondContact O-N 3.09Å; I133-L136 PolarHBondContact O-N 3Å; I133-R137 HydrophobicContact CD1-CG 4.32Å; I133-R137 HydrophobicContact CG1-CG 4.43Å; I133-R137 WeakPolarHBondContact O-CG 3.44Å; I133-R137 PolarHBondContact O-N 3.29Å |
| 134 | E | 97.9 | Very high | 95 | Very high | 11 Ų | 11 | 74.2 Ų | 74.2 | 5% | 0.051 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67.1 | -37.1 | 179.4 | -66.8 | -64.8 | 108.4 | 0 | 0 | 111.1 | L130 S131 L136 R137 L138 L169 S170 T173 | L130-E134 HydrophobicContact CB-CB 4.35Å; S131-E134 PolarHBondContact O-N 2.94Å; S131-E134 WeakPolarHBondContact OG-CB 3.37Å; S131-E134 VanDerWaalsContact OG-CG 3.27Å; S131-E134 WeakPolarHBondContact OG-CG 3.49Å; S131-E134 PolarHBondContact OG-N 2.82Å; E134-L136 PolarHBondContact O-N 3.21Å; E134-R137 PolarHBondContact O-N 3.5Å; E134-R137 IonicContact OE1-CZ 3.91Å; E134-R137 IonicContact OE1-NH1 3.81Å; E134-R137 PolarHBondContact OE1-NH1 3.35Å; E134-L138 VanDerWaalsContact O-CB 3.24Å; E134-L138 WeakPolarHBondContact O-CB 3.45Å; E134-L138 PolarHBondContact O-N 3.48Å; E134-L169 WeakPolarHBondContact OE2-CA 3.36Å; E134-S170 PolarHBondContact OE2-N 3.03Å; E134-S170 PolarHBondContact OE2-OG 2.96Å; E134-T173 WeakPolarHBondContact OE2-CB 3.44Å; E134-T173 PolarHBondContact OE2-OG1 3.14Å |
| 135 | T | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60 | -46.9 | 174.1 | -51.7 | 0 | 0 | 0 | 0 | 111 | L114 L117 R118 L130 S131 I133 A139 | L114-T135 HydrophobicContact CD1-CG2 3.84Å; L117-T135 HydrophobicContact CD2-CG2 3.94Å; L117-T135 HydrophobicContact CG-CG2 4.02Å; R118-T135 HydrophobicContact CG-CG2 3.67Å; R118-T135 PolarHBondContact NE-OG1 2.89Å; L130-T135 WeakPolarHBondContact CB-OG1 3.45Å; L130-T135 PolarHBondContact O-OG1 3.04Å; S131-T135 WeakPolarHBondContact O-CB 3.48Å; S131-T135 PolarHBondContact O-N 3.43Å; S131-T135 PolarHBondContact O-OG1 3.3Å; I133-T135 VanDerWaalsContact C-N 3.33Å; I133-T135 PolarHBondContact O-N 3.09Å; T135-A139 VanDerWaalsContact O-CB 3.31Å; T135-A139 WeakPolarHBondContact O-CB 3.24Å; T135-A139 PolarHBondContact O-N 3.34Å |
| 136 | L | 98.6 | Very high | 95.8 | Very high | 101 Ų | 101 | 72 Ų | 72 | 53% | 0.529 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67.6 | -40.2 | -179.9 | -67 | 174.9 | 0 | 0 | 0 | 112.5 | L117 K132 I133 E134 R140 | L117-L136 HydrophobicContact CD2-CD2 4.28Å; K132-L136 WeakPolarHBondContact O-CG 3.45Å; K132-L136 PolarHBondContact O-N 3.48Å; I133-L136 PolarHBondContact O-N 3Å; E134-L136 PolarHBondContact O-N 3.21Å; L136-R140 PolarHBondContact O-N 3.15Å; L136-R140 VanDerWaalsContact O-N 3.09Å |
| 137 | R | 98.4 | Very high | 96.4 | Very high | 110 Ų | 110 | 65.3 Ų | 65.3 | 42% | 0.415 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.9 | -49.3 | 175.4 | -74.3 | 173.5 | 174.5 | 169.9 | -6.7 | 111.4 | I133 E134 A139 R140 N141 L169 | I133-R137 HydrophobicContact CD1-CG 4.32Å; I133-R137 HydrophobicContact CG1-CG 4.43Å; I133-R137 WeakPolarHBondContact O-CG 3.44Å; I133-R137 PolarHBondContact O-N 3.29Å; E134-R137 PolarHBondContact O-N 3.5Å; E134-R137 IonicContact OE1-CZ 3.91Å; E134-R137 IonicContact OE1-NH1 3.81Å; E134-R137 PolarHBondContact OE1-NH1 3.35Å; R137-A139 VanDerWaalsContact C-N 3.34Å; R137-A139 PolarHBondContact O-N 2.95Å; R137-R140 PolarHBondContact O-N 3.01Å; R137-N141 WeakPolarHBondContact O-CB 3.36Å; R137-N141 VanDerWaalsContact O-CG 3.22Å; R137-N141 PolarHBondContact O-N 2.91Å; R137-N141 PolarHBondContact O-OD1 2.76Å; R137-L169 HydrophobicContact CB-CD2 3.65Å |
| 138 | L | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 179.4 | -178.3 | 63.5 | 0 | 0 | 0 | 111.1 | M121 C123 L130 E134 R140 N141 Y142 L165 L169 V177 | M121-L138 HydrophobicContact CB-CD2 3.98Å; M121-L138 HydrophobicContact CG-CD2 4.1Å; M121-L138 HydrophobicContact SD-CB 4.22Å; M121-L138 HydrophobicContact SD-CD2 3.94Å; M121-L138 HydrophobicContact SD-CG 3.86Å; C123-L138 VanDerWaalsContact SG-CD2 3.53Å; L130-L138 HydrophobicContact CD1-CD2 3.58Å; E134-L138 VanDerWaalsContact O-CB 3.24Å; E134-L138 WeakPolarHBondContact O-CB 3.45Å; E134-L138 PolarHBondContact O-N 3.48Å; L138-R140 PolarHBondContact O-N 2.78Å; L138-N141 PolarHBondContact O-N 3.47Å; L138-Y142 VanDerWaalsContact O-CB 3.25Å; L138-Y142 WeakPolarHBondContact O-CB 3.31Å; L138-Y142 PolarHBondContact O-N 3.33Å; L138-L165 HydrophobicContact CD1-CD1 3.59Å; L138-L165 HydrophobicContact CD1-CG 3.79Å; L138-L169 HydrophobicContact CB-CD1 4.37Å; L138-L169 HydrophobicContact CB-CD2 4.22Å; L138-L169 HydrophobicContact CD1-CD1 3.74Å; L138-V177 HydrophobicContact CD1-CG2 4.23Å; L138-V177 HydrophobicContact CD2-CG2 4.5Å |
| 139 | A | 98.5 | Very high | 97 | Very high | 13 Ų | 13 | 58.6 Ų | 58.6 | 11% | 0.107 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.6 | -47 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L117 M121 T135 R137 N141 Y142 I143 | L117-A139 HydrophobicContact CD1-CB 4.06Å; L117-A139 HydrophobicContact CD2-CB 4.16Å; L117-A139 HydrophobicContact CG-CB 4.42Å; M121-A139 HydrophobicContact CE-CB 3.9Å; M121-A139 HydrophobicContact SD-CB 4.06Å; T135-A139 VanDerWaalsContact O-CB 3.31Å; T135-A139 WeakPolarHBondContact O-CB 3.24Å; T135-A139 PolarHBondContact O-N 3.34Å; R137-A139 VanDerWaalsContact C-N 3.34Å; R137-A139 PolarHBondContact O-N 2.95Å; A139-N141 PolarHBondContact O-N 2.88Å; A139-Y142 PolarHBondContact O-N 3.47Å; A139-I143 WeakPolarHBondContact O-CG1 3.42Å; A139-I143 PolarHBondContact O-N 2.97Å |
| 140 | R | 98.5 | Very high | 97 | Very high | 158 Ų | 158 | 60 Ų | 60 | 60% | 0.596 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -57.8 | -49.4 | 175 | 178.6 | -169.6 | 171.8 | -75.2 | -7.2 | 111 | L136 R137 L138 Y142 I143 C144 | L136-R140 PolarHBondContact O-N 3.15Å; L136-R140 VanDerWaalsContact O-N 3.09Å; R137-R140 PolarHBondContact O-N 3.01Å; L138-R140 PolarHBondContact O-N 2.78Å; R140-Y142 VanDerWaalsContact C-N 3.29Å; R140-Y142 PolarHBondContact O-N 3.02Å; R140-I143 PolarHBondContact O-N 2.97Å; R140-C144 PolarHBondContact O-N 3.15Å; R140-C144 VanDerWaalsContact O-N 3.11Å; R140-C144 PolarHBondContact O-SG 3.28Å; R140-C144 VanDerWaalsContact O-SG 3.4Å |
| 141 | N | 98.1 | Very high | 96.9 | Very high | 8 Ų | 8 | 67.5 Ų | 67.5 | 4% | 0.043 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.6 | -38 | -178.8 | -68.7 | -5.2 | 0 | 0 | 0 | 111.6 | R137 L138 A139 C144 A145 T164 L165 K167 | R137-N141 WeakPolarHBondContact O-CB 3.36Å; R137-N141 VanDerWaalsContact O-CG 3.22Å; R137-N141 PolarHBondContact O-N 2.91Å; R137-N141 PolarHBondContact O-OD1 2.76Å; L138-N141 PolarHBondContact O-N 3.47Å; A139-N141 PolarHBondContact O-N 2.88Å; N141-C144 PolarHBondContact O-N 3.39Å; N141-A145 WeakPolarHBondContact O-CB 3.34Å; N141-A145 PolarHBondContact O-N 3.05Å; N141-T164 WeakPolarHBondContact CB-O 3.18Å; N141-L165 WeakPolarHBondContact CB-O 3.4Å; N141-L165 PolarHBondContact ND2-O 3.36Å; N141-K167 PolarHBondContact ND2-O 3.43Å |
| 142 | Y | 97.6 | Very high | 96.3 | Very high | 66 Ų | 66 | 67.4 Ų | 67.4 | 26% | 0.259 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.3 | -42.4 | 179.5 | -171.4 | -150.7 | 0 | 0 | 0 | 111.7 | M121 P122 L138 A139 R140 C144 A145 L146 F161 L165 | M121-Y142 HydrophobicContact CE-CD1 4.4Å; P122-Y142 HydrophobicContact CG-CD1 4.47Å; P122-Y142 HydrophobicContact CG-CD2 4.37Å; P122-Y142 HydrophobicContact CG-CE2 4.41Å; P122-Y142 HydrophobicContact CG-CG 4.41Å; L138-Y142 VanDerWaalsContact O-CB 3.25Å; L138-Y142 WeakPolarHBondContact O-CB 3.31Å; L138-Y142 PolarHBondContact O-N 3.33Å; A139-Y142 PolarHBondContact O-N 3.47Å; R140-Y142 VanDerWaalsContact C-N 3.29Å; R140-Y142 PolarHBondContact O-N 3.02Å; Y142-C144 VanDerWaalsContact C-N 3.35Å; Y142-C144 PolarHBondContact O-N 3Å; Y142-A145 PolarHBondContact O-N 3.43Å; Y142-L146 HydrophobicContact CD1-CD1 4.39Å; Y142-L146 HydrophobicContact CD2-CD1 3.86Å; Y142-L146 HydrophobicContact CD2-CD2 4.41Å; Y142-L146 HydrophobicContact CD2-CG 3.78Å; Y142-L146 HydrophobicContact CE1-CD1 4.11Å; Y142-L146 HydrophobicContact CE2-CD1 3.53Å; Y142-L146 HydrophobicContact CE2-CD2 3.76Å; Y142-L146 HydrophobicContact CE2-CG 3.56Å; Y142-L146 HydrophobicContact CG-CD1 4.28Å; Y142-L146 WeakPolarHBondContact O-CB 3.48Å; Y142-L146 VanDerWaalsContact O-CG 3.3Å; Y142-L146 WeakPolarHBondContact O-CG 3.44Å; Y142-L146 PolarHBondContact O-N 2.93Å; Y142-F161 HydrophobicContact CD2-CZ 4.24Å; Y142-F161 HydrophobicContact CE2-CZ 4.08Å; Y142-L165 HydrophobicContact CD2-CD1 3.95Å; Y142-L165 HydrophobicContact CG-CD1 4.16Å |
| 143 | I | 97.8 | Very high | 95.5 | Very high | 113 Ų | 113 | 65.5 Ų | 65.5 | 58% | 0.579 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -58.1 | -47.9 | 172.1 | -66.5 | 165.9 | 0 | 0 | 0 | 110.4 | A139 R140 S147 | A139-I143 WeakPolarHBondContact O-CG1 3.42Å; A139-I143 PolarHBondContact O-N 2.97Å; R140-I143 PolarHBondContact O-N 2.97Å; I143-S147 WeakPolarHBondContact O-CB 3.45Å; I143-S147 PolarHBondContact O-N 3.19Å; I143-S147 PolarHBondContact O-OG 3.4Å |
| 144 | C | 96.8 | Very high | 94.7 | Very high | 41 Ų | 41 | 65 Ų | 65 | 28% | 0.277 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.2 | -49.4 | 177.9 | -67.3 | 0 | 0 | 0 | 0 | 112.1 | R140 N141 Y142 L146 S147 E148 T164 | R140-C144 PolarHBondContact O-N 3.15Å; R140-C144 VanDerWaalsContact O-N 3.11Å; R140-C144 PolarHBondContact O-SG 3.28Å; R140-C144 VanDerWaalsContact O-SG 3.4Å; N141-C144 PolarHBondContact O-N 3.39Å; Y142-C144 VanDerWaalsContact C-N 3.35Å; Y142-C144 PolarHBondContact O-N 3Å; C144-L146 VanDerWaalsContact C-N 3.35Å; C144-L146 PolarHBondContact O-N 3.41Å; C144-S147 WeakPolarHBondContact O-CB 3.48Å; C144-S147 PolarHBondContact O-N 2.94Å; C144-S147 VanDerWaalsContact O-N 3.14Å; C144-E148 WeakPolarHBondContact O-CG 3.45Å; C144-E148 PolarHBondContact O-N 3.39Å; C144-T164 HydrophobicContact CB-CG2 4.24Å |
| 145 | A | 95.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.008 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.9 | -40.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N141 Y142 A149 F161 T164 | N141-A145 WeakPolarHBondContact O-CB 3.34Å; N141-A145 PolarHBondContact O-N 3.05Å; Y142-A145 PolarHBondContact O-N 3.43Å; A145-A149 WeakPolarHBondContact O-CB 3.44Å; A145-A149 PolarHBondContact O-N 3.46Å; A145-F161 HydrophobicContact CB-CD2 3.67Å; A145-F161 HydrophobicContact CB-CE2 3.46Å; A145-F161 VanDerWaalsContact CB-CE2 3.46Å; A145-F161 HydrophobicContact CB-CG 4.37Å; A145-F161 HydrophobicContact CB-CZ 4.01Å; A145-T164 HydrophobicContact CB-CG2 3.84Å |
| 146 | L | 96 | Very high | 93.7 | Very high | 61 Ų | 61 | 70.6 Ų | 70.6 | 32% | 0.319 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67.9 | -37.9 | 174.3 | -70.9 | 176.4 | 0 | 0 | 0 | 112.2 | Y142 C144 A149 L150 F161 | Y142-L146 HydrophobicContact CD1-CD1 4.39Å; Y142-L146 HydrophobicContact CD2-CD1 3.86Å; Y142-L146 HydrophobicContact CD2-CD2 4.41Å; Y142-L146 HydrophobicContact CD2-CG 3.78Å; Y142-L146 HydrophobicContact CE1-CD1 4.11Å; Y142-L146 HydrophobicContact CE2-CD1 3.53Å; Y142-L146 HydrophobicContact CE2-CD2 3.76Å; Y142-L146 HydrophobicContact CE2-CG 3.56Å; Y142-L146 HydrophobicContact CG-CD1 4.28Å; Y142-L146 WeakPolarHBondContact O-CB 3.48Å; Y142-L146 VanDerWaalsContact O-CG 3.3Å; Y142-L146 WeakPolarHBondContact O-CG 3.44Å; Y142-L146 PolarHBondContact O-N 2.93Å; C144-L146 VanDerWaalsContact C-N 3.35Å; C144-L146 PolarHBondContact O-N 3.41Å; L146-A149 PolarHBondContact O-N 3.34Å; L146-L150 VanDerWaalsContact O-CG 3.29Å; L146-L150 WeakPolarHBondContact O-CG 3.47Å; L146-L150 PolarHBondContact O-N 3.02Å; L146-F161 HydrophobicContact CD2-CE2 4.14Å; L146-F161 HydrophobicContact CD2-CZ 4.25Å |
| 147 | S | 96.4 | Very high | 93.1 | Very high | 49 Ų | 49 | 70.8 Ų | 70.8 | 34% | 0.343 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.3 | -46.7 | 177 | -54.3 | 0 | 0 | 0 | 0 | 110.7 | I143 C144 A149 L150 E151 | I143-S147 WeakPolarHBondContact O-CB 3.45Å; I143-S147 PolarHBondContact O-N 3.19Å; I143-S147 PolarHBondContact O-OG 3.4Å; C144-S147 WeakPolarHBondContact O-CB 3.48Å; C144-S147 PolarHBondContact O-N 2.94Å; C144-S147 VanDerWaalsContact O-N 3.14Å; S147-A149 VanDerWaalsContact C-N 3.32Å; S147-A149 PolarHBondContact O-N 2.61Å; S147-L150 PolarHBondContact O-N 3.11Å; S147-E151 WeakPolarHBondContact O-CB 3.36Å; S147-E151 WeakPolarHBondContact O-CG 3.48Å; S147-E151 PolarHBondContact O-N 2.94Å |
| 148 | E | 93.6 | Very high | 92.7 | Very high | 85 Ų | 85 | 66.7 Ų | 66.7 | 40% | 0.397 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.7 | -38 | 175.1 | -70.9 | 171.4 | -171.6 | 0 | 0 | 112.2 | C144 G152 L154 T164 | C144-E148 WeakPolarHBondContact O-CG 3.45Å; C144-E148 PolarHBondContact O-N 3.39Å; E148-G152 WeakPolarHBondContact O-CA 3.43Å; E148-G152 PolarHBondContact O-N 3.24Å; E148-L154 HydrophobicContact CB-CD1 4.08Å; E148-T164 PolarHBondContact OE2-OG1 3.01Å |
| 149 | A | 93.9 | Very high | 92.4 | Very high | 16 Ų | 16 | 75.7 Ų | 75.7 | 13% | 0.132 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A145 L146 S147 G153 L154 | A145-A149 WeakPolarHBondContact O-CB 3.44Å; A145-A149 PolarHBondContact O-N 3.46Å; L146-A149 PolarHBondContact O-N 3.34Å; S147-A149 VanDerWaalsContact C-N 3.32Å; S147-A149 PolarHBondContact O-N 2.61Å; A149-G153 WeakPolarHBondContact O-CA 3.45Å; A149-G153 PolarHBondContact O-N 3.25Å; A149-L154 WeakPolarHBondContact CB-O 3.45Å; A149-L154 PolarHBondContact O-N 3.46Å |
| 150 | L | 94.9 | Very high | 92.1 | Very high | 154 Ų | 154 | 77.2 Ų | 77.2 | 81% | 0.806 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -72.6 | -39.5 | 179.1 | -69.5 | 172 | 0 | 0 | 0 | 112.6 | L146 S147 | L146-L150 VanDerWaalsContact O-CG 3.29Å; L146-L150 WeakPolarHBondContact O-CG 3.47Å; L146-L150 PolarHBondContact O-N 3.02Å; S147-L150 PolarHBondContact O-N 3.11Å |
| 151 | E | 92.9 | Very high | 91.8 | Very high | 175 Ų | 175 | 70.2 Ų | 70.2 | 82% | 0.818 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -81.5 | -45.2 | -178.3 | -69.4 | 177.7 | -173.2 | 0 | 0 | 112.9 | S147 | S147-E151 WeakPolarHBondContact O-CB 3.36Å; S147-E151 WeakPolarHBondContact O-CG 3.48Å; S147-E151 PolarHBondContact O-N 2.94Å |
| 152 | G | 83.9 | Confident | 91.6 | Very high | 58 Ų | 58 | 72 Ų | 72 | 60% | 0.598 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -92.5 | -2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | E148 L154 | E148-G152 WeakPolarHBondContact O-CA 3.43Å; E148-G152 PolarHBondContact O-N 3.24Å; G152-L154 PolarHBondContact O-N 3.46Å |
| 153 | G | 82.7 | Confident | 91.5 | Very high | 67 Ų | 67 | 74.1 Ų | 74.1 | 69% | 0.691 | 42% | 0.417 | S | S | * | . | trans | 62 | 21.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | A149 S155 | A149-G153 WeakPolarHBondContact O-CA 3.45Å; A149-G153 PolarHBondContact O-N 3.25Å; G153-S155 PolarHBondContact O-N 3.12Å | ||
| 154 | L | 81.6 | Confident | 91.3 | Very high | 78 Ų | 78 | 70.3 Ų | 70.3 | 41% | 0.408 | 40% | 0.399 | S | S | . | . | trans | -67.8 | 130.5 | 179.5 | -69.5 | 158.6 | 0 | 0 | 0 | 109.1 | E148 A149 G152 T156 | E148-L154 HydrophobicContact CB-CD1 4.08Å; A149-L154 WeakPolarHBondContact CB-O 3.45Å; A149-L154 PolarHBondContact O-N 3.46Å; G152-L154 PolarHBondContact O-N 3.46Å; L154-T156 PolarHBondContact O-N 2.9Å | ||
| 155 | S | 86.5 | Confident | 91.3 | Very high | 66 Ų | 66 | 68.4 Ų | 68.4 | 46% | 0.462 | 39% | 0.386 | S | S | . | . | trans | -61.6 | 134.5 | 174.4 | -179.4 | 0 | 0 | 0 | 0 | 110.2 | G153 E157 S158 | G153-S155 PolarHBondContact O-N 3.12Å; S155-E157 PolarHBondContact O-N 3.34Å; S155-E157 WeakPolarHBondContact OG-CB 3.49Å; S155-E157 PolarHBondContact OG-N 3.1Å; S155-S158 WeakPolarHBondContact O-CB 3.31Å; S155-S158 PolarHBondContact O-N 3.12Å; S155-S158 PolarHBondContact O-OG 3.47Å | ||
| 156 | T | 87.3 | Confident | 91.3 | Very high | 62 Ų | 62 | 69.1 Ų | 69.1 | 38% | 0.38 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -22.3 | 168.1 | 56.9 | 0 | 0 | 0 | 0 | 111.4 | L154 S158 F161 | L154-T156 PolarHBondContact O-N 2.9Å; T156-S158 VanDerWaalsContact C-N 3.25Å; T156-S158 PolarHBondContact O-N 2.83Å; T156-F161 HydrophobicContact CG2-CE2 4.34Å; T156-F161 VanDerWaalsContact O-CD1 3.22Å; T156-F161 WeakPolarHBondContact O-CD1 3.4Å |
| 157 | E | 86.1 | Confident | 91.3 | Very high | 105 Ų | 105 | 73.5 Ų | 73.5 | 49% | 0.491 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 9.6 | 175.3 | -51.5 | -51.8 | 122.6 | 0 | 0 | 113.1 | S155 I183 | S155-E157 PolarHBondContact O-N 3.34Å; S155-E157 WeakPolarHBondContact OG-CB 3.49Å; S155-E157 PolarHBondContact OG-N 3.1Å; E157-I183 HydrophobicContact CB-CD1 4.07Å; E157-I183 WeakPolarHBondContact O-CG2 3.43Å; E157-I183 VanDerWaalsContact OE2-CD1 3.3Å; E157-I183 WeakPolarHBondContact OE2-CD1 3.3Å |
| 158 | S | 90.5 | Very high | 91.4 | Very high | 25 Ų | 25 | 74 Ų | 74 | 18% | 0.175 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -84.9 | 150.1 | -178.8 | 70.6 | 0 | 0 | 0 | 0 | 112.2 | S155 T156 A160 F161 M162 | S155-S158 WeakPolarHBondContact O-CB 3.31Å; S155-S158 PolarHBondContact O-N 3.12Å; S155-S158 PolarHBondContact O-OG 3.47Å; T156-S158 VanDerWaalsContact C-N 3.25Å; T156-S158 PolarHBondContact O-N 2.83Å; S158-A160 PolarHBondContact O-N 3.26Å; S158-F161 WeakPolarHBondContact O-CB 3.49Å; S158-F161 PolarHBondContact O-N 3.1Å; S158-F161 WeakPolarHBondContact OG-CB 3.35Å; S158-F161 PolarHBondContact OG-N 2.95Å; S158-F161 VanDerWaalsContact OG-N 3.13Å; S158-M162 PolarHBondContact O-N 3.24Å |
| 159 | R | 90.6 | Very high | 91.5 | Very high | 188 Ų | 188 | 70.9 Ų | 70.9 | 71% | 0.709 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -57.6 | -37.7 | 169.9 | -176.9 | 178.5 | 174.1 | 156.6 | 6.4 | 112 | F161 M162 E163 | R159-F161 VanDerWaalsContact C-N 3.34Å; R159-F161 PolarHBondContact O-N 3.24Å; R159-M162 PolarHBondContact O-N 3.31Å; R159-E163 HydrophobicContact CG-CG 4.4Å; R159-E163 WeakPolarHBondContact CG-OE1 3.34Å; R159-E163 IonicContact CZ-OE1 2.83Å; R159-E163 IonicContact NE-OE1 2.95Å; R159-E163 PolarHBondContact NE-OE1 3.04Å; R159-E163 IonicContact NH2-OE1 3.99Å; R159-E163 WeakPolarHBondContact O-CG 3.27Å; R159-E163 PolarHBondContact O-N 3.05Å |
| 160 | A | 91.8 | Very high | 91.7 | Very high | 45 Ų | 45 | 72.2 Ų | 72.2 | 37% | 0.372 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.8 | -42 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S158 M162 E163 T164 | S158-A160 PolarHBondContact O-N 3.26Å; A160-M162 PolarHBondContact O-N 3.03Å; A160-E163 PolarHBondContact O-N 2.99Å; A160-T164 PolarHBondContact O-N 2.82Å; A160-T164 PolarHBondContact O-OG1 3.13Å |
| 161 | F | 93.9 | Very high | 91.7 | Very high | 12 Ų | 12 | 71 Ų | 71 | 5% | 0.053 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 174.6 | -177.4 | -90.3 | 0 | 0 | 0 | 111.7 | Y142 A145 L146 T156 S158 R159 E163 T164 L165 | Y142-F161 HydrophobicContact CD2-CZ 4.24Å; Y142-F161 HydrophobicContact CE2-CZ 4.08Å; A145-F161 HydrophobicContact CB-CD2 3.67Å; A145-F161 HydrophobicContact CB-CE2 3.46Å; A145-F161 VanDerWaalsContact CB-CE2 3.46Å; A145-F161 HydrophobicContact CB-CG 4.37Å; A145-F161 HydrophobicContact CB-CZ 4.01Å; L146-F161 HydrophobicContact CD2-CE2 4.14Å; L146-F161 HydrophobicContact CD2-CZ 4.25Å; T156-F161 HydrophobicContact CG2-CE2 4.34Å; T156-F161 VanDerWaalsContact O-CD1 3.22Å; T156-F161 WeakPolarHBondContact O-CD1 3.4Å; S158-F161 WeakPolarHBondContact O-CB 3.49Å; S158-F161 PolarHBondContact O-N 3.1Å; S158-F161 WeakPolarHBondContact OG-CB 3.35Å; S158-F161 PolarHBondContact OG-N 2.95Å; S158-F161 VanDerWaalsContact OG-N 3.13Å; R159-F161 VanDerWaalsContact C-N 3.34Å; R159-F161 PolarHBondContact O-N 3.24Å; F161-E163 PolarHBondContact O-N 2.81Å; F161-T164 PolarHBondContact O-N 2.87Å; F161-L165 HydrophobicContact CE1-CD2 4.21Å; F161-L165 WeakPolarHBondContact O-CB 3.45Å; F161-L165 PolarHBondContact O-N 3.48Å |
| 162 | M | 93.7 | Very high | 91.8 | Very high | 44 Ų | 44 | 66.6 Ų | 66.6 | 22% | 0.217 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 176.6 | -170 | -171.3 | -63.4 | 0 | 0 | 112.2 | S158 R159 A160 L165 C166 A178 I183 | S158-M162 PolarHBondContact O-N 3.24Å; R159-M162 PolarHBondContact O-N 3.31Å; A160-M162 PolarHBondContact O-N 3.03Å; M162-L165 PolarHBondContact O-N 2.92Å; M162-C166 WeakPolarHBondContact O-CB 3.38Å; M162-C166 PolarHBondContact O-N 3.42Å; M162-C166 PolarHBondContact O-SG 3.11Å; M162-A178 HydrophobicContact SD-CB 4.37Å; M162-I183 HydrophobicContact CE-CB 3.63Å; M162-I183 HydrophobicContact CE-CG1 3.32Å |
| 163 | E | 94 | Very high | 92.3 | Very high | 112 Ų | 112 | 64.3 Ų | 64.3 | 52% | 0.523 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 177.9 | -74.9 | 175.2 | -174.6 | 0 | 0 | 111.7 | R159 A160 F161 K167 | R159-E163 HydrophobicContact CG-CG 4.4Å; R159-E163 WeakPolarHBondContact CG-OE1 3.34Å; R159-E163 IonicContact CZ-OE1 2.83Å; R159-E163 IonicContact NE-OE1 2.95Å; R159-E163 PolarHBondContact NE-OE1 3.04Å; R159-E163 IonicContact NH2-OE1 3.99Å; R159-E163 WeakPolarHBondContact O-CG 3.27Å; R159-E163 PolarHBondContact O-N 3.05Å; A160-E163 PolarHBondContact O-N 2.99Å; F161-E163 PolarHBondContact O-N 2.81Å; E163-K167 PolarHBondContact O-N 2.79Å |
| 164 | T | 95.3 | Very high | 92.9 | Very high | 33 Ų | 33 | 62.7 Ų | 62.7 | 20% | 0.202 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 173.4 | -61.6 | 0 | 0 | 0 | 0 | 111.1 | N141 C144 A145 E148 A160 F161 C166 K167 | N141-T164 WeakPolarHBondContact CB-O 3.18Å; C144-T164 HydrophobicContact CB-CG2 4.24Å; A145-T164 HydrophobicContact CB-CG2 3.84Å; E148-T164 PolarHBondContact OE2-OG1 3.01Å; A160-T164 PolarHBondContact O-N 2.82Å; A160-T164 PolarHBondContact O-OG1 3.13Å; F161-T164 PolarHBondContact O-N 2.87Å; T164-C166 PolarHBondContact O-N 2.92Å; T164-K167 WeakPolarHBondContact O-CB 3.38Å; T164-K167 PolarHBondContact O-N 3.24Å |
| 165 | L | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.7 | -44.2 | -178.3 | -169.8 | 64.1 | 0 | 0 | 0 | 112.5 | P122 L138 N141 Y142 F161 M162 K167 V177 L181 | P122-L165 HydrophobicContact CG-CD1 4.12Å; P122-L165 HydrophobicContact CG-CD2 3.85Å; L138-L165 HydrophobicContact CD1-CD1 3.59Å; L138-L165 HydrophobicContact CD1-CG 3.79Å; N141-L165 WeakPolarHBondContact CB-O 3.4Å; N141-L165 PolarHBondContact ND2-O 3.36Å; Y142-L165 HydrophobicContact CD2-CD1 3.95Å; Y142-L165 HydrophobicContact CG-CD1 4.16Å; F161-L165 HydrophobicContact CE1-CD2 4.21Å; F161-L165 WeakPolarHBondContact O-CB 3.45Å; F161-L165 PolarHBondContact O-N 3.48Å; M162-L165 PolarHBondContact O-N 2.92Å; L165-K167 PolarHBondContact O-N 3.44Å; L165-V177 HydrophobicContact CD2-CG1 3.55Å; L165-V177 HydrophobicContact CG-CG1 4.14Å; L165-L181 HydrophobicContact CD2-CD1 3.43Å; L165-L181 VanDerWaalsContact CD2-CD1 3.43Å |
| 166 | C | 96.4 | Very high | 93.7 | Very high | 17 Ų | 17 | 62 Ų | 62 | 12% | 0.115 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -84.8 | -4.5 | -174.8 | -67.3 | 0 | 0 | 0 | 0 | 114.4 | M162 T164 G168 L169 T174 V177 | M162-C166 WeakPolarHBondContact O-CB 3.38Å; M162-C166 PolarHBondContact O-N 3.42Å; M162-C166 PolarHBondContact O-SG 3.11Å; T164-C166 PolarHBondContact O-N 2.92Å; C166-G168 PolarHBondContact O-N 3.44Å; C166-G168 VanDerWaalsContact O-N 3.14Å; C166-L169 PolarHBondContact O-N 2.89Å; C166-L169 VanDerWaalsContact O-N 3.15Å; C166-T174 HydrophobicContact CB-CG2 3.92Å; C166-V177 VanDerWaalsContact SG-CG1 3.59Å |
| 167 | K | 96.9 | Very high | 94 | Very high | 153 Ų | 153 | 59 Ų | 59 | 67% | 0.665 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 117.9 | -174.7 | -174.4 | 175.5 | -179.8 | 173.5 | 0 | 112.6 | N141 E163 T164 L165 L169 | N141-K167 PolarHBondContact ND2-O 3.43Å; E163-K167 PolarHBondContact O-N 2.79Å; T164-K167 WeakPolarHBondContact O-CB 3.38Å; T164-K167 PolarHBondContact O-N 3.24Å; L165-K167 PolarHBondContact O-N 3.44Å; K167-L169 PolarHBondContact O-N 2.92Å |
| 168 | G | 96.9 | Very high | 94.2 | Very high | 58 Ų | 58 | 55.8 Ų | 55.8 | 60% | 0.598 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | 12.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | C166 | C166-G168 PolarHBondContact O-N 3.44Å; C166-G168 VanDerWaalsContact O-N 3.14Å |
| 169 | L | 97.3 | Very high | 94 | Very high | 20 Ų | 20 | 56.6 Ų | 56.6 | 11% | 0.105 | 32% | 0.319 | C | S | . | . | trans | -79 | 158 | 167.8 | -59.7 | -178.4 | 0 | 0 | 0 | 110.6 | E134 R137 L138 C166 K167 T173 V177 | E134-L169 WeakPolarHBondContact OE2-CA 3.36Å; R137-L169 HydrophobicContact CB-CD2 3.65Å; L138-L169 HydrophobicContact CB-CD1 4.37Å; L138-L169 HydrophobicContact CB-CD2 4.22Å; L138-L169 HydrophobicContact CD1-CD1 3.74Å; C166-L169 PolarHBondContact O-N 2.89Å; C166-L169 VanDerWaalsContact O-N 3.15Å; K167-L169 PolarHBondContact O-N 2.92Å; L169-T173 HydrophobicContact CB-CG2 4.15Å; L169-T173 HydrophobicContact CD1-CG2 3.83Å; L169-T173 HydrophobicContact CD2-CG2 4.45Å; L169-T173 HydrophobicContact CG-CG2 4.37Å; L169-V177 HydrophobicContact CD1-CG2 4.39Å | ||
| 170 | S | 97.1 | Very high | 93.8 | Very high | 44 Ų | 44 | 50.5 Ų | 50.5 | 31% | 0.308 | 30% | 0.304 | S | S | . | . | trans | -66.5 | 150.4 | 172 | 71.3 | 0 | 0 | 0 | 0 | 111.1 | E134 P172 T173 T174 | E134-S170 PolarHBondContact OE2-N 3.03Å; E134-S170 PolarHBondContact OE2-OG 2.96Å; S170-P172 VanDerWaalsContact C-CD 3.47Å; S170-P172 VanDerWaalsContact C-N 3.34Å; S170-T173 WeakPolarHBondContact O-CB 3.32Å; S170-T173 PolarHBondContact O-N 2.86Å; S170-T173 WeakPolarHBondContact OG-CB 3.38Å; S170-T173 PolarHBondContact OG-OG1 3.48Å; S170-T174 PolarHBondContact O-N 3.12Å; S170-T174 PolarHBondContact O-OG1 2.84Å | ||
| 171 | Q | 95.5 | Very high | 93.3 | Very high | 128 Ų | 128 | 50.2 Ų | 50.2 | 60% | 0.598 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -52.7 | -43.8 | 179.1 | -171.7 | 64.6 | 47.7 | 0 | 0 | 113.6 | T173 T174 N175 | Q171-T173 VanDerWaalsContact C-N 3.31Å; Q171-T173 PolarHBondContact O-N 2.94Å; Q171-T174 PolarHBondContact O-N 3.34Å; Q171-N175 PolarHBondContact NE2-OD1 3.03Å; Q171-N175 VanDerWaalsContact O-CG 3.23Å; Q171-N175 PolarHBondContact O-N 2.93Å; Q171-N175 PolarHBondContact O-OD1 3.25Å |
| 172 | P | 94.5 | Very high | 92 | Very high | 83 Ų | 83 | 56.5 Ų | 56.5 | 54% | 0.539 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.4 | -37.9 | 176.6 | -23.1 | 35.1 | 0 | 0 | 0 | 113 | S170 N175 L176 | S170-P172 VanDerWaalsContact C-CD 3.47Å; S170-P172 VanDerWaalsContact C-N 3.34Å; P172-N175 PolarHBondContact O-N 3.16Å; P172-L176 PolarHBondContact O-N 3.26Å |
| 173 | T | 95.3 | Very high | 90.3 | Very high | 11 Ų | 11 | 56.5 Ų | 56.5 | 7% | 0.067 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.9 | -42.9 | 177.8 | -61.1 | 0 | 0 | 0 | 0 | 111.3 | L130 E134 L169 S170 Q171 N175 L176 V177 | L130-T173 HydrophobicContact CD2-CG2 3.68Å; E134-T173 WeakPolarHBondContact OE2-CB 3.44Å; E134-T173 PolarHBondContact OE2-OG1 3.14Å; L169-T173 HydrophobicContact CB-CG2 4.15Å; L169-T173 HydrophobicContact CD1-CG2 3.83Å; L169-T173 HydrophobicContact CD2-CG2 4.45Å; L169-T173 HydrophobicContact CG-CG2 4.37Å; S170-T173 WeakPolarHBondContact O-CB 3.32Å; S170-T173 PolarHBondContact O-N 2.86Å; S170-T173 WeakPolarHBondContact OG-CB 3.38Å; S170-T173 PolarHBondContact OG-OG1 3.48Å; Q171-T173 VanDerWaalsContact C-N 3.31Å; Q171-T173 PolarHBondContact O-N 2.94Å; T173-N175 VanDerWaalsContact C-N 3.29Å; T173-N175 PolarHBondContact O-N 2.89Å; T173-L176 WeakPolarHBondContact O-CB 3.49Å; T173-L176 PolarHBondContact O-N 2.98Å; T173-L176 VanDerWaalsContact O-N 3.15Å; T173-V177 HydrophobicContact CG2-CG2 4.46Å; T173-V177 VanDerWaalsContact O-CG2 3.31Å; T173-V177 WeakPolarHBondContact O-CG2 3.46Å; T173-V177 PolarHBondContact O-N 2.91Å |
| 174 | T | 94.9 | Very high | 88 | Confident | 32 Ų | 32 | 54.8 Ų | 54.8 | 20% | 0.196 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57.9 | -42.6 | 174 | -61.2 | 0 | 0 | 0 | 0 | 111.5 | C166 S170 Q171 L176 V177 A178 | C166-T174 HydrophobicContact CB-CG2 3.92Å; S170-T174 PolarHBondContact O-N 3.12Å; S170-T174 PolarHBondContact O-OG1 2.84Å; Q171-T174 PolarHBondContact O-N 3.34Å; T174-L176 PolarHBondContact O-N 3.4Å; T174-V177 PolarHBondContact O-N 2.91Å; T174-A178 WeakPolarHBondContact O-CB 3.49Å; T174-A178 PolarHBondContact O-N 2.98Å |
| 175 | N | 93.1 | Very high | 85.7 | Confident | 96 Ų | 96 | 58.2 Ų | 58.2 | 51% | 0.513 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 176.5 | -67 | -7.1 | 0 | 0 | 0 | 112.1 | Q171 P172 T173 A178 G179 | Q171-N175 PolarHBondContact NE2-OD1 3.03Å; Q171-N175 VanDerWaalsContact O-CG 3.23Å; Q171-N175 PolarHBondContact O-N 2.93Å; Q171-N175 PolarHBondContact O-OD1 3.25Å; P172-N175 PolarHBondContact O-N 3.16Å; T173-N175 VanDerWaalsContact C-N 3.29Å; T173-N175 PolarHBondContact O-N 2.89Å; N175-A178 PolarHBondContact O-N 3.07Å; N175-G179 PolarHBondContact O-N 3.14Å |
| 176 | L | 92.1 | Very high | 83 | Confident | 33 Ų | 33 | 61.8 Ų | 61.8 | 17% | 0.173 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.2 | -46.3 | 175.5 | 180 | 66 | 0 | 0 | 0 | 111.1 | C123 L130 P172 T173 T174 G179 C180 | C123-L176 HydrophobicContact CB-CD2 4.44Å; C123-L176 HydrophobicContact CB-CG 4.13Å; L130-L176 HydrophobicContact CD2-CD2 4.18Å; P172-L176 PolarHBondContact O-N 3.26Å; T173-L176 WeakPolarHBondContact O-CB 3.49Å; T173-L176 PolarHBondContact O-N 2.98Å; T173-L176 VanDerWaalsContact O-N 3.15Å; T174-L176 PolarHBondContact O-N 3.4Å; L176-G179 PolarHBondContact O-N 2.7Å; L176-C180 PolarHBondContact O-N 2.97Å; L176-C180 PolarHBondContact O-SG 3.49Å |
| 177 | V | 92.4 | Very high | 80.6 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -60.2 | -48.7 | 177.6 | 175 | 0 | 0 | 0 | 0 | 110.8 | C123 L138 L165 C166 L169 T173 T174 G179 C180 L181 | C123-V177 HydrophobicContact CB-CG2 4Å; C123-V177 VanDerWaalsContact SG-CG2 3.55Å; L138-V177 HydrophobicContact CD1-CG2 4.23Å; L138-V177 HydrophobicContact CD2-CG2 4.5Å; L165-V177 HydrophobicContact CD2-CG1 3.55Å; L165-V177 HydrophobicContact CG-CG1 4.14Å; C166-V177 VanDerWaalsContact SG-CG1 3.59Å; L169-V177 HydrophobicContact CD1-CG2 4.39Å; T173-V177 HydrophobicContact CG2-CG2 4.46Å; T173-V177 VanDerWaalsContact O-CG2 3.31Å; T173-V177 WeakPolarHBondContact O-CG2 3.46Å; T173-V177 PolarHBondContact O-N 2.91Å; T174-V177 PolarHBondContact O-N 2.91Å; V177-G179 VanDerWaalsContact C-N 3.29Å; V177-G179 PolarHBondContact O-N 3.05Å; V177-C180 PolarHBondContact O-N 3.3Å; V177-C180 VanDerWaalsContact O-N 3.13Å; V177-L181 HydrophobicContact CG1-CD1 3.47Å; V177-L181 VanDerWaalsContact CG1-CD1 3.47Å; V177-L181 PolarHBondContact O-N 3.07Å |
| 178 | A | 89.8 | Confident | 78.4 | Confident | 38 Ų | 38 | 62.9 Ų | 62.9 | 31% | 0.314 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.9 | -40.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | M162 T174 N175 C180 Q182 | M162-A178 HydrophobicContact SD-CB 4.37Å; T174-A178 WeakPolarHBondContact O-CB 3.49Å; T174-A178 PolarHBondContact O-N 2.98Å; N175-A178 PolarHBondContact O-N 3.07Å; A178-C180 VanDerWaalsContact C-N 3.33Å; A178-C180 PolarHBondContact O-N 3.29Å; A178-Q182 PolarHBondContact O-N 2.75Å; A178-Q182 VanDerWaalsContact O-N 3.12Å |
| 179 | G | 87.8 | Confident | 76 | Confident | 41 Ų | 41 | 67.3 Ų | 67.3 | 42% | 0.423 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67 | -28.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | N175 L176 V177 Q182 | N175-G179 PolarHBondContact O-N 3.14Å; L176-G179 PolarHBondContact O-N 2.7Å; V177-G179 VanDerWaalsContact C-N 3.29Å; V177-G179 PolarHBondContact O-N 3.05Å; G179-Q182 PolarHBondContact O-NE2 3.37Å |
| 180 | C | 86.6 | Confident | 73.6 | Confident | 61 Ų | 61 | 69 Ų | 69 | 41% | 0.412 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -84.6 | -33.8 | 177.2 | -68.2 | 0 | 0 | 0 | 0 | 113.2 | C123 L176 V177 A178 | C123-C180 HydrophobicContact CB-CB 3.93Å; L176-C180 PolarHBondContact O-N 2.97Å; L176-C180 PolarHBondContact O-SG 3.49Å; V177-C180 PolarHBondContact O-N 3.3Å; V177-C180 VanDerWaalsContact O-N 3.13Å; A178-C180 VanDerWaalsContact C-N 3.33Å; A178-C180 PolarHBondContact O-N 3.29Å |
| 181 | L | 79.9 | Confident | 70.9 | Confident | 38 Ų | 38 | 75.7 Ų | 75.7 | 20% | 0.199 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -96.2 | -15 | -172.2 | -77.8 | 146.2 | 0 | 0 | 0 | 114.8 | P122 L165 V177 I183 | P122-L181 HydrophobicContact CB-CD1 4.22Å; P122-L181 HydrophobicContact CB-CD2 4.48Å; L165-L181 HydrophobicContact CD2-CD1 3.43Å; L165-L181 VanDerWaalsContact CD2-CD1 3.43Å; V177-L181 HydrophobicContact CG1-CD1 3.47Å; V177-L181 VanDerWaalsContact CG1-CD1 3.47Å; V177-L181 PolarHBondContact O-N 3.07Å; L181-I183 HydrophobicContact CB-CG1 4.35Å; L181-I183 PolarHBondContact O-N 2.77Å |
| 182 | Q | 67.6 | Low | 68.2 | Low | 144 Ų | 144 | 80.4 Ų | 80.4 | 67% | 0.673 | 52% | 0.517 | S | S | * | . | trans | 34.2 | 51.9 | 168.5 | -70.5 | 161.9 | 33.6 | 0 | 0 | 115.2 | A178 G179 G184 | A178-Q182 PolarHBondContact O-N 2.75Å; A178-Q182 VanDerWaalsContact O-N 3.12Å; G179-Q182 PolarHBondContact O-NE2 3.37Å; Q182-G184 VanDerWaalsContact C-N 3.28Å; Q182-G184 PolarHBondContact O-N 3.48Å | ||
| 183 | I | 57.3 | Low | 65.9 | Low | 45 Ų | 45 | 81.4 Ų | 81.4 | 23% | 0.231 | 52% | 0.523 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | 87.1 | 173.6 | -50.6 | -80.6 | 0 | 0 | 0 | 107.5 | E157 M162 L181 | E157-I183 HydrophobicContact CB-CD1 4.07Å; E157-I183 WeakPolarHBondContact O-CG2 3.43Å; E157-I183 VanDerWaalsContact OE2-CD1 3.3Å; E157-I183 WeakPolarHBondContact OE2-CD1 3.3Å; M162-I183 HydrophobicContact CE-CB 3.63Å; M162-I183 HydrophobicContact CE-CG1 3.32Å; L181-I183 HydrophobicContact CB-CG1 4.35Å; L181-I183 PolarHBondContact O-N 2.77Å |
| 184 | G | 46.7 | Very low | 63.1 | Low | 76 Ų | 76 | 89.2 Ų | 89.2 | 78% | 0.784 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 84.6 | 69.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q182 | Q182-G184 VanDerWaalsContact C-N 3.28Å; Q182-G184 PolarHBondContact O-N 3.48Å |
| 185 | S | 46.3 | Very low | 60.2 | Low | 105 Ų | 105 | 95.3 Ų | 95.3 | 73% | 0.734 | 59% | 0.59 | S | S | * | * | trans | -165.2 | 90.7 | 136.3 | -159 | 0 | 0 | 0 | 0 | 109 | P187 | S185-P187 WeakPolarHBondContact O-CD 3.43Š| ||
| 186 | G | 38.9 | Very low | 58.1 | Low | 75 Ų | 75 | 102 Ų | 102 | 77% | 0.773 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 127 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 187 | P | 45.3 | Very low | 55.6 | Low | 112 Ų | 112 | 109 Ų | 109 | 73% | 0.727 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 122.6 | 147.9 | 31.6 | -22.4 | 0 | 0 | 0 | 106.7 | S185 T189 | S185-P187 WeakPolarHBondContact O-CD 3.43Å; P187-T189 PolarHBondContact O-N 3.43Å |
| 188 | G | 50.3 | Low | 52.9 | Low | 80 Ų | 80 | 112.4 Ų | 112.4 | 83% | 0.825 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 125.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 189 | T | 48.2 | Very low | 50.5 | Low | 151 Ų | 151 | 117.8 Ų | 117.8 | 93% | 0.926 | 71% | 0.709 | S | S | * | * | trans | -116.2 | 66.4 | 161 | 2.5 | 0 | 0 | 0 | 0 | 108 | P187 | P187-T189 PolarHBondContact O-N 3.43Š| ||
| 190 | G | 46.4 | Very low | 48.2 | Very low | 55 Ų | 55 | 121.3 Ų | 121.3 | 57% | 0.567 | 73% | 0.725 | S | S | * | * | trans | -135.7 | 78 | 162.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 191 | M | 39.4 | Very low | 46.2 | Very low | 186 Ų | 186 | 123.7 Ų | 123.7 | 92% | 0.916 | 74% | 0.74 | S | S | * | * | trans | -151.9 | 123.1 | 153.4 | -84.4 | -56.8 | 99.2 | 0 | 0 | 108.5 | ||||
| 192 | R | 39.1 | Very low | 45.1 | Very low | 227 Ų | 227 | 127.6 Ų | 127.6 | 86% | 0.857 | 77% | 0.768 | S | S | * | * | trans | -65.3 | 154.9 | 177.4 | -78.1 | -97.1 | 92.2 | 156.6 | 4.7 | 111.5 | ||||
| 193 | P | 45.7 | Very low | 44.3 | Very low | 104 Ų | 104 | 126.7 Ų | 126.7 | 68% | 0.675 | 77% | 0.774 | S | S | * | * | trans | -96.4 | 98.3 | 169.3 | 33.8 | -22.2 | 0 | 0 | 0 | 109.9 | ||||
| 194 | E | 38.5 | Very low | 43.7 | Very low | 174 Ų | 174 | 132 Ų | 132 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | trans | -177.5 | 100.4 | 160.2 | -106.4 | 159.1 | 130.3 | 0 | 0 | 109.1 | ||||
| 195 | D | 33.6 | Very low | 44 | Very low | 160 Ų | 160 | 133.8 Ų | 133.8 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | 162.1 | 129.2 | 114.1 | -92.5 | -35.2 | 0 | 0 | 0 | 111.2 | |||||
| 196 | R | 48.6 | Very low | 44 | Very low | 237 Ų | 237 | 137.2 Ų | 137.2 | 89% | 0.894 | 81% | 0.81 | S | S | * | * | trans | -63.5 | 144.9 | 172.1 | -69.5 | 176.3 | 158.4 | -158.6 | -4.9 | 109.2 | ||||
| 197 | L | 38.9 | Very low | 43.9 | Very low | 179 Ų | 179 | 137.6 Ų | 137.6 | 94% | 0.937 | 82% | 0.815 | S | S | * | * | -178 | 130.2 | 129 | -91.2 | 168.3 | 0 | 0 | 0 | 108.9 | |||||
| 198 | G | 37.2 | Very low | 43.6 | Very low | 72 Ų | 72 | 135.6 Ų | 135.6 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | trans | -83.7 | 156 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 199 | V | 38.4 | Very low | 43.4 | Very low | 152 Ų | 152 | 141.2 Ų | 141.2 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | trans | -147.7 | 134.7 | 156.7 | -174.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 200 | C | 38.7 | Very low | 43.3 | Very low | 114 Ų | 114 | 140.4 Ų | 140.4 | 77% | 0.77 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 149.8 | -177.2 | -155.3 | 0 | 0 | 0 | 0 | 114.2 | ||
| 201 | P | 45.1 | Very low | 42.9 | Very low | 111 Ų | 111 | 141 Ų | 141 | 72% | 0.721 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 145.2 | 165.9 | 33.1 | -29.6 | 0 | 0 | 0 | 112 | ||
| 202 | P | 56.8 | Low | 42.9 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 78% | 0.779 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 162.8 | 177 | 33.7 | -33.8 | 0 | 0 | 0 | 112.8 | ||
| 203 | P | 51.9 | Low | 43.1 | Very low | 125 Ų | 125 | 139 Ų | 139 | 81% | 0.812 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 154 | -172.1 | 34.8 | -33.1 | 0 | 0 | 0 | 114.5 | ||
| 204 | N | 43.7 | Very low | 43 | Very low | 158 Ų | 158 | 139 Ų | 139 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | trans | -27.4 | 155.9 | 168.5 | -89.1 | -0.6 | 0 | 0 | 0 | 117.9 | ||||
| 205 | P | 52.8 | Low | 43.9 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 73% | 0.734 | 82% | 0.822 | S | S | * | * | -146.5 | 142.3 | 95.4 | 32.2 | -12.4 | 0 | 0 | 0 | 117 | |||||
| 206 | L | 46.7 | Very low | 44.3 | Very low | 176 Ų | 176 | 132.2 Ų | 132.2 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | trans | 49.5 | 118.3 | 140.5 | -70.8 | 152.1 | 0 | 0 | 0 | 120.7 | ||||
| 207 | G | 36.3 | Very low | 44.6 | Very low | 84 Ų | 84 | 128.6 Ų | 128.6 | 87% | 0.866 | 82% | 0.815 | S | S | * | * | trans | 138.7 | 116.4 | 144.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 208 | G | 38.5 | Very low | 45.4 | Very low | 70 Ų | 70 | 126 Ų | 126 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | 125.4 | 82.8 | 160.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | V210 | G208-V210 PolarHBondContact O-N 3.33Š| ||
| 209 | M | 47.4 | Very low | 45.8 | Very low | 198 Ų | 198 | 127.7 Ų | 127.7 | 98% | 0.975 | 81% | 0.809 | S | S | * | * | trans | -56.7 | 112.6 | 151.5 | -86 | 168.5 | 56.6 | 0 | 0 | 108.6 | ||||
| 210 | V | 45.3 | Very low | 46.5 | Very low | 133 Ų | 133 | 125.7 Ų | 125.7 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | trans | -108.1 | 109.5 | 162.3 | -75.8 | 0 | 0 | 0 | 0 | 108.1 | G208 | G208-V210 PolarHBondContact O-N 3.33Š| ||
| 211 | G | 37.8 | Very low | 47.5 | Very low | 67 Ų | 67 | 126.4 Ų | 126.4 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | trans | -68.4 | 138.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | T213 | G211-T213 PolarHBondContact O-N 3.22Å; G211-T213 VanDerWaalsContact O-N 3.11Å | ||
| 212 | Y | 40.8 | Very low | 47.4 | Very low | 231 Ų | 231 | 132.7 Ų | 132.7 | 91% | 0.906 | 81% | 0.813 | S | S | * | * | trans | -70 | 98 | 162.8 | -73.1 | -93 | 0 | 0 | 0 | 108.4 | S214 | Y212-S214 VanDerWaalsContact C-N 3.32Å; Y212-S214 PolarHBondContact O-N 2.96Å; Y212-S214 VanDerWaalsContact O-N 3.16Å | ||
| 213 | T | 42.7 | Very low | 46.8 | Very low | 140 Ų | 140 | 129.8 Ų | 129.8 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | trans | -79.4 | 87.1 | 161.9 | 39.8 | 0 | 0 | 0 | 0 | 108.3 | G211 P215 | G211-T213 PolarHBondContact O-N 3.22Å; G211-T213 VanDerWaalsContact O-N 3.11Å; T213-P215 WeakPolarHBondContact O-CD 3.4Å | ||
| 214 | S | 43.9 | Very low | 46.5 | Very low | 104 Ų | 104 | 129.2 Ų | 129.2 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -80.1 | 118.7 | 166.4 | -160.6 | 0 | 0 | 0 | 0 | 108.3 | Y212 G216 | Y212-S214 VanDerWaalsContact C-N 3.32Å; Y212-S214 PolarHBondContact O-N 2.96Å; Y212-S214 VanDerWaalsContact O-N 3.16Å; S214-G216 PolarHBondContact O-N 3.08Å | ||
| 215 | P | 55.9 | Low | 46.7 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | trans | -69.8 | 104.3 | 171.9 | -13.1 | 28.8 | 0 | 0 | 0 | 108.3 | T213 L217 | T213-P215 WeakPolarHBondContact O-CD 3.4Å; P215-L217 PolarHBondContact O-N 3.35Å | ||
| 216 | G | 42.4 | Very low | 46 | Very low | 72 Ų | 72 | 133.6 Ų | 133.6 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 120.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S214 | S214-G216 PolarHBondContact O-N 3.08Š|
| 217 | L | 54.9 | Low | 45.8 | Very low | 161 Ų | 161 | 130.4 Ų | 130.4 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 134.7 | 162.1 | -71.3 | 164.7 | 0 | 0 | 0 | 108.5 | P215 S219 | P215-L217 PolarHBondContact O-N 3.35Å; L217-S219 PolarHBondContact O-N 2.94Å |
| 218 | P | 55.7 | Low | 46.4 | Very low | 124 Ų | 124 | 130.3 Ų | 130.3 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 119.1 | 175.2 | 26.6 | -31.4 | 0 | 0 | 0 | 110.4 | ||
| 219 | S | 47.2 | Very low | 47 | Very low | 107 Ų | 107 | 136.5 Ų | 136.5 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 139.6 | 170.2 | -56.8 | 0 | 0 | 0 | 0 | 111.1 | L217 | L217-S219 PolarHBondContact O-N 2.94Š|
| 220 | P | 52.8 | Low | 46.9 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 138.7 | 172.3 | -14 | 27.2 | 0 | 0 | 0 | 110.3 | Y222 | P220-Y222 PolarHBondContact O-N 2.93Å; P220-Y222 VanDerWaalsContact O-N 3.08Å |
| 221 | P | 58.8 | Low | 47.2 | Very low | 130 Ų | 130 | 136.7 Ų | 136.7 | 84% | 0.844 | 79% | 0.786 | S | S | * | * | trans | -68.8 | 111.8 | 175.6 | 27.5 | -31.5 | 0 | 0 | 0 | 109.6 | G223 | P221-G223 PolarHBondContact O-N 2.99Š| ||
| 222 | Y | 42.8 | Very low | 47.7 | Very low | 242 Ų | 242 | 141.5 Ų | 141.5 | 95% | 0.949 | 79% | 0.791 | S | S | * | * | trans | -64 | 107.9 | 158.5 | -98 | -92.8 | 0 | 0 | 0 | 108 | P220 | P220-Y222 PolarHBondContact O-N 2.93Å; P220-Y222 VanDerWaalsContact O-N 3.08Å | ||
| 223 | G | 45.6 | Very low | 48.1 | Very low | 59 Ų | 59 | 139.5 Ų | 139.5 | 61% | 0.608 | 80% | 0.795 | S | S | * | * | trans | -123.2 | 103.8 | 174 | 0 | 0 | 0 | 0 | 0 | 110.5 | P221 | P221-G223 PolarHBondContact O-N 2.99Š| ||
| 224 | T | 43.7 | Very low | 48 | Very low | 114 Ų | 114 | 143.4 Ų | 143.4 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | trans | 36.1 | 114.4 | 140.9 | 62.4 | 0 | 0 | 0 | 0 | 119.6 | D226 | T224-D226 PolarHBondContact O-N 3.34Š| ||
| 225 | Y | 48.1 | Very low | 47.9 | Very low | 219 Ų | 219 | 142.5 Ų | 142.5 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | trans | -31.7 | 121 | 148.7 | 23 | -91.4 | 0 | 0 | 0 | 113.5 | ||||
| 226 | D | 39.3 | Very low | 47 | Very low | 144 Ų | 144 | 144.9 Ų | 144.9 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | 176.4 | 143.2 | 118.7 | -154.6 | -4.4 | 0 | 0 | 0 | 112.2 | T224 | T224-D226 PolarHBondContact O-N 3.34Š| |||
| 227 | T | 42.1 | Very low | 46.7 | Very low | 109 Ų | 109 | 151 Ų | 151 | 67% | 0.669 | 80% | 0.801 | S | S | * | * | trans | 34.1 | 115.1 | 158 | 28.5 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 228 | A | 49.7 | Very low | 45.7 | Very low | 81 Ų | 81 | 146.9 Ų | 146.9 | 67% | 0.669 | 80% | 0.798 | S | S | * | * | trans | 44.5 | 105.8 | 130.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 229 | H | 49.8 | Very low | 44.6 | Very low | 201 Ų | 201 | 152.8 Ų | 152.8 | 93% | 0.931 | 81% | 0.805 | S | S | * | * | trans | -140.3 | 123.7 | 143.3 | -80 | -60 | 0 | 0 | 0 | 113.3 | ||||
| 230 | M | 46.2 | Very low | 43.9 | Very low | 171 Ų | 171 | 155.8 Ų | 155.8 | 84% | 0.842 | 81% | 0.807 | S | S | * | * | trans | -63.9 | 146.2 | -177.1 | -70.7 | 162.3 | 42 | 0 | 0 | 114.8 | ||||
| 231 | L | 51.4 | Low | 42.9 | Very low | 163 Ų | 163 | 156 Ų | 156 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | -4.6 | 119 | 146.6 | -65.1 | 164.4 | 0 | 0 | 0 | 116.5 | ||||
| 232 | H | 49 | Very low | 41.8 | Very low | 168 Ų | 168 | 156.7 Ų | 156.7 | 78% | 0.778 | 80% | 0.803 | S | S | * | * | trans | -155 | 84.7 | 154.7 | -116 | -97.3 | 0 | 0 | 0 | 110.7 | ||||
| 233 | L | 48.5 | Very low | 41.5 | Very low | 190 Ų | 190 | 153 Ų | 153 | 100% | 0.995 | 80% | 0.8 | S | S | * | * | trans | -90.8 | 106.2 | 161.1 | -79.6 | 167.3 | 0 | 0 | 0 | 108.1 | ||||
| 234 | R | 40.4 | Very low | 40.9 | Very low | 221 Ų | 221 | 157.5 Ų | 157.5 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | trans | -98.6 | 125.4 | 174.7 | -149.8 | 178 | -166.5 | 164.1 | 2.8 | 108.1 | ||||
| 235 | A | 41.5 | Very low | 40.8 | Very low | 85 Ų | 85 | 157.3 Ų | 157.3 | 70% | 0.702 | 81% | 0.808 | S | S | * | * | trans | -69 | 139.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 236 | M | 37.6 | Very low | 40.7 | Very low | 172 Ų | 172 | 152.7 Ų | 152.7 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | trans | -150.7 | 110.7 | 151.9 | -79.8 | -55.3 | 161.9 | 0 | 0 | 111.7 | ||||
| 237 | K | 35.4 | Very low | 41.8 | Very low | 199 Ų | 199 | 151 Ų | 151 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | 46.1 | 103.7 | 123.8 | -155.1 | 147.3 | 180 | 172.1 | 0 | 120.1 | |||||
| 238 | G | 34.1 | Very low | 41.5 | Very low | 76 Ų | 76 | 154.2 Ų | 154.2 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | 41.9 | 120.2 | 128.5 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 239 | R | 32.1 | Very low | 40.8 | Very low | 248 Ų | 248 | 160.7 Ų | 160.7 | 94% | 0.936 | 82% | 0.818 | S | S | * | * | trans | -143.9 | 136.3 | 143.7 | -132.9 | 178.8 | -169.9 | -102.3 | 2.9 | 111.6 | ||||
| 240 | Q | 34.1 | Very low | 40.4 | Very low | 169 Ų | 169 | 158.4 Ų | 158.4 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | -56.3 | 148 | -179.5 | -57.7 | -96.2 | -7.6 | 0 | 0 | 112.4 | ||||
| 241 | S | 30.8 | Very low | 39.9 | Very low | 115 Ų | 115 | 154.6 Ų | 154.6 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -135 | 100.8 | 157 | -65.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 242 | E | 36.2 | Very low | 39.2 | Very low | 145 Ų | 145 | 150.2 Ų | 150.2 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | trans | -58.5 | 134.4 | 163.6 | -89.4 | 153.7 | 120.4 | 0 | 0 | 109.8 | H244 | E242-H244 IonicContact OE1-NE2 3.1Š| ||
| 243 | N | 36.4 | Very low | 38.8 | Very low | 165 Ų | 165 | 147.9 Ų | 147.9 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | trans | -138.3 | 125.1 | 152.7 | -83 | -47.1 | 0 | 0 | 0 | 108.2 | ||||
| 244 | H | 33.1 | Very low | 38.8 | Very low | 153 Ų | 153 | 145.5 Ų | 145.5 | 71% | 0.708 | 80% | 0.797 | S | S | * | * | trans | -90.7 | 132.8 | -175.9 | -78.7 | -82.4 | 0 | 0 | 0 | 112.2 | E242 | E242-H244 IonicContact OE1-NE2 3.1Š| ||
| 245 | S | 40.7 | Very low | 39.4 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | 79.1 | 159.9 | 139.2 | -58.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 246 | P | 46.7 | Very low | 40 | Very low | 122 Ų | 122 | 140.5 Ų | 140.5 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | cis | -129 | 179.3 | 1.7 | 35.3 | -14.7 | 0 | 0 | 0 | 116.3 | ||||
| 247 | P | 61.3 | Low | 41.3 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | trans | -110.3 | -175.8 | -166.5 | 38.6 | -25 | 0 | 0 | 0 | 115.8 | ||||
| 248 | E | 36.1 | Very low | 42.6 | Very low | 176 Ų | 176 | 134.3 Ų | 134.3 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | 93.6 | 128.7 | 168.2 | -54.7 | 179.8 | 177.5 | 0 | 0 | 115 | ||||
| 249 | Y | 36 | Very low | 44 | Very low | 217 Ų | 217 | 140.4 Ų | 140.4 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | cis | -157 | 142.8 | 37 | 53.7 | -85.1 | 0 | 0 | 0 | 113.4 | ||||
| 250 | N | 40.5 | Very low | 45.7 | Very low | 153 Ų | 153 | 136.1 Ų | 136.1 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -5 | 131.9 | 154 | -145.9 | -1.3 | 0 | 0 | 0 | 121.3 | ||||
| 251 | A | 36 | Very low | 47.6 | Very low | 91 Ų | 91 | 129.6 Ų | 129.6 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | 155.2 | 127.7 | 104.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 252 | G | 37.9 | Very low | 49.4 | Very low | 70 Ų | 70 | 129.2 Ų | 129.2 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | 98.7 | 97.3 | 136.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 253 | S | 38.6 | Very low | 50.7 | Low | 119 Ų | 119 | 128 Ų | 128 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | trans | 88.1 | 131.3 | 131.3 | -68.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 254 | V | 49.8 | Very low | 52.2 | Low | 140 Ų | 140 | 126.6 Ų | 126.6 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | trans | 81.4 | 102 | 156 | -148 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 255 | G | 51.7 | Low | 53.4 | Low | 73 Ų | 73 | 124.3 Ų | 124.3 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | trans | -72.2 | 143.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 256 | T | 55.1 | Low | 54.3 | Low | 129 Ų | 129 | 124.5 Ų | 124.5 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | trans | -118.3 | 124.3 | 150.3 | 48.7 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 257 | P | 65.3 | Low | 54.5 | Low | 115 Ų | 115 | 126.5 Ų | 126.5 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | trans | -61.6 | 147.9 | 172 | 27.6 | -31.8 | 0 | 0 | 0 | 108.8 | Y259 | P257-Y259 PolarHBondContact O-N 3.06Å; P257-Y259 VanDerWaalsContact O-N 3.1Å | ||
| 258 | P | 62.1 | Low | 54.1 | Low | 126 Ų | 126 | 126.6 Ų | 126.6 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -59.3 | 119.7 | 174.1 | -13.4 | 26.1 | 0 | 0 | 0 | 108.3 | D260 | P258-D260 PolarHBondContact O-N 3.26Å; P258-D260 VanDerWaalsContact O-N 3.07Å | ||
| 259 | Y | 63.4 | Low | 54.8 | Low | 203 Ų | 203 | 125.4 Ų | 125.4 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | trans | -70.8 | 100.9 | 170.5 | 178 | -98.3 | 0 | 0 | 0 | 107.8 | P257 G261 | P257-Y259 PolarHBondContact O-N 3.06Å; P257-Y259 VanDerWaalsContact O-N 3.1Å; Y259-G261 PolarHBondContact O-N 2.81Å | ||
| 260 | D | 68.2 | Low | 55.3 | Low | 158 Ų | 158 | 119.5 Ų | 119.5 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | trans | -79.4 | 96.1 | 169.4 | -154.9 | 18.9 | 0 | 0 | 0 | 107.2 | P258 | P258-D260 PolarHBondContact O-N 3.26Å; P258-D260 VanDerWaalsContact O-N 3.07Å | ||
| 261 | G | 73.9 | Confident | 55.6 | Low | 33 Ų | 33 | 117.1 Ų | 117.1 | 34% | 0.34 | 75% | 0.75 | S | S | . | * | P | Polyproline II helix | trans | -62 | 147.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y259 | Y259-G261 PolarHBondContact O-N 2.81Š|
| 262 | P | 68.3 | Low | 56.4 | Low | 106 Ų | 106 | 118.3 Ų | 118.3 | 69% | 0.688 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 138 | 179.5 | 24.1 | -32.4 | 0 | 0 | 0 | 109.7 | T264 | P262-T264 PolarHBondContact O-N 3.17Š|
| 263 | P | 64.2 | Low | 56.8 | Low | 121 Ų | 121 | 123 Ų | 123 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 129.4 | -179.9 | 22.7 | -31.9 | 0 | 0 | 0 | 109.2 | ||
| 264 | T | 67.2 | Low | 57.4 | Low | 134 Ų | 134 | 123.8 Ų | 123.8 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 123.7 | 171 | 13.4 | 0 | 0 | 0 | 0 | 109.2 | P262 | P262-T264 PolarHBondContact O-N 3.17Š|
| 265 | P | 57.6 | Low | 57.1 | Low | 106 Ų | 106 | 122.4 Ų | 122.4 | 69% | 0.688 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 141 | 179.5 | 25.2 | -32.6 | 0 | 0 | 0 | 109.4 | L267 | P265-L267 PolarHBondContact O-N 3.36Š|
| 266 | P | 61.1 | Low | 56.7 | Low | 112 Ų | 112 | 128.6 Ų | 128.6 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 133 | -179.6 | 25.1 | -33.2 | 0 | 0 | 0 | 109.7 | S268 | P266-S268 PolarHBondContact O-N 2.79Š|
| 267 | L | 51.4 | Low | 56 | Low | 165 Ų | 165 | 134.1 Ų | 134.1 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | trans | -60.4 | 99.9 | 172.3 | -64.2 | 175 | 0 | 0 | 0 | 108.2 | P265 I269 | P265-L267 PolarHBondContact O-N 3.36Å; L267-I269 PolarHBondContact O-N 2.93Å | ||
| 268 | S | 52.2 | Low | 55 | Low | 112 Ų | 112 | 137.2 Ų | 137.2 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | trans | -74.8 | 91.5 | 175.1 | -66.2 | 0 | 0 | 0 | 0 | 108 | P266 S270 | P266-S268 PolarHBondContact O-N 2.79Å; S268-S270 PolarHBondContact O-N 3.07Å | ||
| 269 | I | 50.8 | Low | 54.4 | Low | 151 Ų | 151 | 136.9 Ų | 136.9 | 77% | 0.774 | 76% | 0.757 | S | S | * | * | trans | -77.4 | 77.2 | 169.3 | -44.4 | 171.1 | 0 | 0 | 0 | 106.9 | L267 S271 | L267-I269 PolarHBondContact O-N 2.93Å; I269-S271 PolarHBondContact O-N 3.34Å | ||
| 270 | S | 45.3 | Very low | 53.5 | Low | 92 Ų | 92 | 132.3 Ų | 132.3 | 64% | 0.643 | 76% | 0.755 | S | S | * | * | trans | -72.2 | 84.1 | 161.2 | 172.9 | 0 | 0 | 0 | 0 | 107.3 | S268 N272 | S268-S270 PolarHBondContact O-N 3.07Å; S270-N272 VanDerWaalsContact C-N 3.26Å; S270-N272 PolarHBondContact O-N 3.44Å; S270-N272 VanDerWaalsContact O-N 3.13Å; S270-N272 PolarHBondContact OG-OD1 3.1Å | ||
| 271 | S | 47.6 | Very low | 52.6 | Low | 104 Ų | 104 | 129.7 Ų | 129.7 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | trans | -81.5 | 81.5 | 167.7 | -158.8 | 0 | 0 | 0 | 0 | 108.1 | I269 | I269-S271 PolarHBondContact O-N 3.34Š| ||
| 272 | N | 53.3 | Low | 51.2 | Low | 115 Ų | 115 | 137 Ų | 137 | 62% | 0.615 | 77% | 0.771 | S | S | * | * | trans | -116.6 | 47.8 | 174.2 | -56.9 | 44.1 | 0 | 0 | 0 | 109.2 | S270 | S270-N272 VanDerWaalsContact C-N 3.26Å; S270-N272 PolarHBondContact O-N 3.44Å; S270-N272 VanDerWaalsContact O-N 3.13Å; S270-N272 PolarHBondContact OG-OD1 3.1Å | ||
| 273 | M | 45.2 | Very low | 50.3 | Low | 169 Ų | 169 | 141.5 Ų | 141.5 | 83% | 0.833 | 78% | 0.776 | S | S | * | * | trans | -120.6 | 78.7 | 168.1 | -67.1 | -70.8 | 125.3 | 0 | 0 | 108 | P275 | M273-P275 WeakPolarHBondContact O-CD 3.34Š| ||
| 274 | V | 52.7 | Low | 50 | Low | 135 Ų | 135 | 141 Ų | 141 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -70.1 | 117.8 | 158.5 | 170 | 0 | 0 | 0 | 0 | 106.2 | K276 | V274-K276 PolarHBondContact O-N 2.98Š| ||
| 275 | P | 43.4 | Very low | 49.5 | Very low | 111 Ų | 111 | 139.6 Ų | 139.6 | 72% | 0.721 | 77% | 0.766 | S | S | * | * | trans | -67.3 | 118.9 | 168.3 | -9.5 | 25.7 | 0 | 0 | 0 | 106.9 | M273 R277 | M273-P275 WeakPolarHBondContact O-CD 3.34Å; P275-R277 PolarHBondContact O-N 2.81Å | ||
| 276 | K | 42.4 | Very low | 49.4 | Very low | 203 Ų | 203 | 139.5 Ų | 139.5 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | trans | -55.1 | 112.8 | 159.3 | -96.5 | -170.6 | 172.8 | -175.8 | 0 | 106.5 | V274 E278 | V274-K276 PolarHBondContact O-N 2.98Å; K276-E278 PolarHBondContact O-N 3.16Å | ||
| 277 | R | 41.6 | Very low | 48.8 | Very low | 245 Ų | 245 | 140.3 Ų | 140.3 | 93% | 0.925 | 77% | 0.77 | S | S | * | * | trans | -65.7 | 104.5 | 166.8 | -76.1 | -171.7 | 169.6 | -146.2 | -1.3 | 107.4 | P275 | P275-R277 PolarHBondContact O-N 2.81Š| ||
| 278 | E | 44 | Very low | 48.3 | Very low | 180 Ų | 180 | 141 Ų | 141 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 134.9 | 165 | -157.7 | 172.6 | -166 | 0 | 0 | 108.1 | K276 S280 | K276-E278 PolarHBondContact O-N 3.16Å; E278-S280 PolarHBondContact O-N 3.07Å |
| 279 | P | 48 | Very low | 47.8 | Very low | 119 Ų | 119 | 144.1 Ų | 144.1 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 128.2 | 177.7 | 25.1 | -30.9 | 0 | 0 | 0 | 110.4 | ||
| 280 | S | 45.7 | Very low | 47.1 | Very low | 108 Ų | 108 | 147.5 Ų | 147.5 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 140.2 | -179.3 | -150.5 | 0 | 0 | 0 | 0 | 111.9 | E278 H282 | E278-S280 PolarHBondContact O-N 3.07Å; S280-H282 PolarHBondContact O-N 3.23Å |
| 281 | P | 48.6 | Very low | 46.7 | Very low | 102 Ų | 102 | 148.9 Ų | 148.9 | 66% | 0.662 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 127.2 | 173.1 | 24.8 | -30.2 | 0 | 0 | 0 | 110.5 | Y283 | P281-Y283 PolarHBondContact O-N 3.21Š|
| 282 | H | 44.4 | Very low | 46.7 | Very low | 187 Ų | 187 | 149.6 Ų | 149.6 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | trans | -73.4 | 106.9 | -177.8 | -158.2 | 30.2 | 0 | 0 | 0 | 109.7 | S280 | S280-H282 PolarHBondContact O-N 3.23Š| ||
| 283 | Y | 49.8 | Very low | 45.7 | Very low | 201 Ų | 201 | 149.2 Ų | 149.2 | 79% | 0.788 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 132.8 | 164.7 | -84.1 | -88.9 | 0 | 0 | 0 | 109.2 | P281 | P281-Y283 PolarHBondContact O-N 3.21Š|
| 284 | P | 57.5 | Low | 45.1 | Very low | 109 Ų | 109 | 148.4 Ų | 148.4 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 144.3 | 175.1 | 28.6 | -32.1 | 0 | 0 | 0 | 110.7 | ||
| 285 | P | 56.8 | Low | 44.3 | Very low | 105 Ų | 105 | 149.1 Ų | 149.1 | 68% | 0.682 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 150.4 | 179.9 | 29.7 | -33.9 | 0 | 0 | 0 | 111.9 | ||
| 286 | P | 54.8 | Low | 43.9 | Very low | 105 Ų | 105 | 150.2 Ų | 150.2 | 68% | 0.682 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 152.2 | 169.8 | 30.4 | -32 | 0 | 0 | 0 | 110.6 | H288 | P286-H288 PolarHBondContact O-N 3.34Š|
| 287 | P | 48.5 | Very low | 43.6 | Very low | 128 Ų | 128 | 148.4 Ų | 148.4 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -66 | 128.3 | -176.5 | 26.2 | -32.4 | 0 | 0 | 0 | 111.3 | Q289 | P287-Q289 PolarHBondContact O-N 2.85Š|
| 288 | H | 42.5 | Very low | 43.1 | Very low | 179 Ų | 179 | 141.6 Ų | 141.6 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 128.6 | 177.1 | -74.1 | -84.9 | 0 | 0 | 0 | 112.1 | P286 | P286-H288 PolarHBondContact O-N 3.34Š|
| 289 | Q | 41 | Very low | 42.8 | Very low | 178 Ų | 178 | 139 Ų | 139 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 131.2 | 155.9 | -71.2 | 178.8 | 8.2 | 0 | 0 | 109.5 | P287 | P287-Q289 PolarHBondContact O-N 2.85Š|
| 290 | Y | 37.2 | Very low | 42.1 | Very low | 223 Ų | 223 | 143.3 Ų | 143.3 | 88% | 0.875 | 77% | 0.771 | S | S | * | * | trans | 45 | 111.5 | 151 | -76.7 | -90 | 0 | 0 | 0 | 120.6 | ||||
| 291 | S | 35 | Very low | 41.4 | Very low | 120 Ų | 120 | 146.1 Ų | 146.1 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | trans | -65.2 | 143.8 | 160.4 | -137.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 292 | P | 48.5 | Very low | 41 | Very low | 120 Ų | 120 | 146.5 Ų | 146.5 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | -111.8 | 126.9 | 160.3 | 34.1 | -21.7 | 0 | 0 | 0 | 111 | ||||
| 293 | S | 31.3 | Very low | 40.3 | Very low | 107 Ų | 107 | 146.7 Ų | 146.7 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | -166.7 | 120.9 | 146.4 | -166.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 294 | N | 34 | Very low | 39.6 | Very low | 151 Ų | 151 | 143.2 Ų | 143.2 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | trans | 46 | 115.3 | 145 | -72.2 | -17 | 0 | 0 | 0 | 122.1 | ||||
| 295 | V | 36.3 | Very low | 38.2 | Very low | 150 Ų | 150 | 142.8 Ų | 142.8 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | trans | -136.5 | 148.3 | 134.3 | -71.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 296 | D | 34.5 | Very low | 37 | Very low | 135 Ų | 135 | 147.8 Ų | 147.8 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | -59 | 139.9 | -171.2 | -105.2 | -61.9 | 0 | 0 | 0 | 117.1 | ||||
| 297 | Q | 34.9 | Very low | 36 | Very low | 164 Ų | 164 | 149.2 Ų | 149.2 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | 59.4 | 138.2 | 122.8 | -97.5 | -173.6 | 80.6 | 0 | 0 | 123.4 | |||||
| 298 | V | 32.8 | Very low | 35.4 | Very low | 102 Ų | 102 | 148.7 Ų | 148.7 | 62% | 0.618 | 78% | 0.776 | S | S | * | * | trans | 103.4 | 117.8 | 138.7 | 175.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 299 | L | 37.3 | Very low | 35 | Very low | 127 Ų | 127 | 148 Ų | 148 | 67% | 0.665 | 77% | 0.773 | S | S | * | * | trans | 56.3 | 135.5 | 161.8 | -82.1 | 87.1 | 0 | 0 | 0 | 115.9 | ||||
| 300 | Y | 33.6 | Very low | 35.3 | Very low | 209 Ų | 209 | 146.6 Ų | 146.6 | 82% | 0.82 | 77% | 0.77 | S | S | * | * | -157.5 | 146.7 | 55.1 | -72.1 | -89.5 | 0 | 0 | 0 | 112.8 | |||||
| 301 | Q | 31.3 | Very low | 35.3 | Very low | 166 Ų | 166 | 144.3 Ų | 144.3 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | -43.3 | 139.4 | 160.6 | -165.6 | 80.8 | 43.3 | 0 | 0 | 115.1 | ||||
| 302 | T | 38.9 | Very low | 35.6 | Very low | 111 Ų | 111 | 141.3 Ų | 141.3 | 68% | 0.681 | 76% | 0.756 | S | S | * | * | trans | 5.4 | 132.7 | 154.9 | 67 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 303 | Q | 30.5 | Very low | 35.5 | Very low | 191 Ų | 191 | 141.7 Ų | 141.7 | 89% | 0.893 | 76% | 0.758 | S | S | * | * | trans | -156.8 | 132.1 | 137.8 | -128.3 | 160 | 42.6 | 0 | 0 | 114.8 | ||||
| 304 | T | 34.8 | Very low | 35.9 | Very low | 128 Ų | 128 | 147.1 Ų | 147.1 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | -59.5 | 150.6 | 162.7 | 48.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 305 | S | 28.9 | Very low | 36.1 | Very low | 100 Ų | 100 | 146.9 Ų | 146.9 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | trans | 156.6 | 115.8 | 132.9 | -177.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 306 | Y | 30.3 | Very low | 36.4 | Very low | 209 Ų | 209 | 144.2 Ų | 144.2 | 82% | 0.82 | 75% | 0.75 | S | S | * | * | trans | 47.4 | 122.7 | 135.6 | -66.6 | -84 | 0 | 0 | 0 | 124.2 | ||||
| 307 | D | 33.6 | Very low | 36.9 | Very low | 136 Ų | 136 | 148.4 Ų | 148.4 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | 71.5 | 139.8 | 119.1 | -136.6 | -45.8 | 0 | 0 | 0 | 121.5 | |||||
| 308 | V | 36.8 | Very low | 37.6 | Very low | 116 Ų | 116 | 148.8 Ų | 148.8 | 70% | 0.703 | 76% | 0.759 | S | S | * | * | trans | 137.4 | 107.3 | 140.4 | 174.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 309 | H | 34 | Very low | 38.5 | Very low | 164 Ų | 164 | 149.2 Ų | 149.2 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | trans | 71.1 | 112 | 134.9 | -75.3 | 32.8 | 0 | 0 | 0 | 124.2 | ||||
| 310 | L | 47.4 | Very low | 38.9 | Very low | 149 Ų | 149 | 148.6 Ų | 148.6 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | 24.8 | 116.8 | 114.3 | -120.7 | 75.9 | 0 | 0 | 0 | 119.1 | |||||
| 311 | E | 37.7 | Very low | 39.7 | Very low | 175 Ų | 175 | 146 Ų | 146 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | 172.6 | 124.4 | 116.3 | -94.9 | -66.1 | 137.3 | 0 | 0 | 109.7 | |||||
| 312 | G | 40.2 | Very low | 40.4 | Very low | 58 Ų | 58 | 146.7 Ų | 146.7 | 60% | 0.598 | 77% | 0.773 | S | S | * | * | trans | 177.5 | 110.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y314 | G312-Y314 PolarHBondContact O-N 3.01Š| ||
| 313 | P | 45.9 | Very low | 41.1 | Very low | 128 Ų | 128 | 147.6 Ų | 147.6 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | trans | -69.3 | 121.7 | -171.8 | 26.3 | -31.7 | 0 | 0 | 0 | 110.7 | D315 | P313-D315 PolarHBondContact O-N 2.97Š| ||
| 314 | Y | 39.9 | Very low | 42 | Very low | 221 Ų | 221 | 144 Ų | 144 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | trans | -89.4 | 99.2 | 175.4 | -142.8 | -92.3 | 0 | 0 | 0 | 108.3 | G312 S316 | G312-Y314 PolarHBondContact O-N 3.01Å; Y314-S316 PolarHBondContact O-N 3.2Å | ||
| 315 | D | 39.7 | Very low | 42.4 | Very low | 146 Ų | 146 | 149.4 Ų | 149.4 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | trans | -68.1 | 103.1 | 169.5 | -93.8 | -39.1 | 0 | 0 | 0 | 109.3 | P313 Y317 | P313-D315 PolarHBondContact O-N 2.97Å; D315-Y317 PolarHBondContact O-N 3.07Å | ||
| 316 | S | 41.5 | Very low | 43.3 | Very low | 93 Ų | 93 | 153.2 Ų | 153.2 | 65% | 0.65 | 79% | 0.785 | S | S | * | * | trans | -71.7 | 109.2 | 169.5 | -83.3 | 0 | 0 | 0 | 0 | 109.8 | Y314 H318 | Y314-S316 PolarHBondContact O-N 3.2Å; S316-H318 PolarHBondContact O-N 3Å; S316-H318 VanDerWaalsContact O-N 3.09Å | ||
| 317 | Y | 44.3 | Very low | 44.2 | Very low | 224 Ų | 224 | 151.1 Ų | 151.1 | 88% | 0.878 | 79% | 0.786 | S | S | * | * | trans | -66.6 | 103.8 | 167.4 | -86.1 | -95.7 | 0 | 0 | 0 | 110.3 | D315 | D315-Y317 PolarHBondContact O-N 3.07Š| ||
| 318 | H | 49.4 | Very low | 44.7 | Very low | 172 Ų | 172 | 150.2 Ų | 150.2 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 128.8 | 161.4 | -94.9 | -80.2 | 0 | 0 | 0 | 109.6 | S316 | S316-H318 PolarHBondContact O-N 3Å; S316-H318 VanDerWaalsContact O-N 3.09Å |
| 319 | P | 53.7 | Low | 45.3 | Very low | 111 Ų | 111 | 149.6 Ų | 149.6 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 137.3 | 169.5 | 28.1 | -30.8 | 0 | 0 | 0 | 110.6 | ||
| 320 | P | 45.7 | Very low | 46 | Very low | 113 Ų | 113 | 148.2 Ų | 148.2 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -80.3 | 142.6 | 178.5 | 33 | -31.2 | 0 | 0 | 0 | 110.3 | ||
| 321 | N | 49.4 | Very low | 45.9 | Very low | 156 Ų | 156 | 151.4 Ų | 151.4 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | 92.9 | 61.9 | 174.3 | -58.4 | -35.3 | 0 | 0 | 0 | 118.6 | ||||
| 322 | M | 46.8 | Very low | 46.3 | Very low | 179 Ų | 179 | 153.4 Ų | 153.4 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | trans | -123.4 | 112.7 | 148 | -68.6 | -113.4 | 84.8 | 0 | 0 | 109.1 | ||||
| 323 | V | 52.8 | Low | 46.7 | Very low | 131 Ų | 131 | 160.8 Ų | 160.8 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | trans | -71.8 | 131.7 | 170.2 | -175.6 | 0 | 0 | 0 | 0 | 108.1 | R325 | V323-R325 PolarHBondContact O-N 3.37Å; V323-R325 VanDerWaalsContact O-N 3.16Å | ||
| 324 | P | 49.3 | Very low | 46.8 | Very low | 116 Ų | 116 | 162.4 Ų | 162.4 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | trans | -64.4 | 117.3 | 178.1 | -16.2 | 28.3 | 0 | 0 | 0 | 110.4 | Q326 | P324-Q326 PolarHBondContact O-N 2.75Š| ||
| 325 | R | 43.3 | Very low | 47.1 | Very low | 241 Ų | 241 | 159.3 Ų | 159.3 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | trans | -68.4 | 110.5 | 168.1 | -88.9 | -174.1 | 162.2 | -128.7 | -1.4 | 108.7 | V323 I327 | V323-R325 PolarHBondContact O-N 3.37Å; V323-R325 VanDerWaalsContact O-N 3.16Å; R325-I327 PolarHBondContact O-N 3.06Å | ||
| 326 | Q | 47.5 | Very low | 47.5 | Very low | 180 Ų | 180 | 160.1 Ų | 160.1 | 84% | 0.841 | 82% | 0.816 | S | S | * | * | trans | -64.3 | 125.9 | 165.2 | -71.8 | -167.7 | -39.5 | 0 | 0 | 109.4 | P324 T328 | P324-Q326 PolarHBondContact O-N 2.75Å; Q326-T328 PolarHBondContact O-N 3.13Å | ||
| 327 | I | 48.9 | Very low | 47.9 | Very low | 165 Ų | 165 | 164 Ų | 164 | 85% | 0.846 | 83% | 0.826 | S | S | * | * | trans | -82.4 | 100.8 | 173.1 | -56.6 | 166.6 | 0 | 0 | 0 | 106.4 | R325 | R325-I327 PolarHBondContact O-N 3.06Š| ||
| 328 | T | 45.3 | Very low | 48.1 | Very low | 116 Ų | 116 | 160.3 Ų | 160.3 | 71% | 0.712 | 82% | 0.823 | S | S | * | * | trans | -91.6 | 100.9 | 164.9 | 53.2 | 0 | 0 | 0 | 0 | 108.4 | Q326 V330 | Q326-T328 PolarHBondContact O-N 3.13Å; T328-V330 PolarHBondContact O-N 2.96Å | ||
| 329 | S | 49.2 | Very low | 48 | Very low | 103 Ų | 103 | 159.5 Ų | 159.5 | 72% | 0.72 | 83% | 0.825 | S | S | * | * | trans | -60 | 125.2 | 159.2 | 179.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 330 | V | 49 | Very low | 47.6 | Very low | 136 Ų | 136 | 162.9 Ų | 162.9 | 82% | 0.824 | 83% | 0.832 | S | S | * | * | trans | -133.1 | 91.7 | 163.7 | -99.1 | 0 | 0 | 0 | 0 | 108.2 | T328 | T328-V330 PolarHBondContact O-N 2.96Š| ||
| 331 | Y | 45.4 | Very low | 47.8 | Very low | 216 Ų | 216 | 166.8 Ų | 166.8 | 85% | 0.847 | 84% | 0.84 | S | S | * | * | trans | -96.3 | 150.1 | 151.2 | -122.4 | -89.3 | 0 | 0 | 0 | 107.6 | ||||
| 332 | R | 45.7 | Very low | 47.6 | Very low | 217 Ų | 217 | 167.7 Ų | 167.7 | 82% | 0.819 | 84% | 0.84 | S | S | * | * | trans | 82.1 | 138.7 | 178.5 | -70.9 | -166.2 | 166.4 | -165.6 | -1.8 | 116.6 | ||||
| 333 | D | 48.3 | Very low | 47.7 | Very low | 212 Ų | 212 | 166.6 Ų | 166.6 | 100% | 1.134 | 84% | 0.836 | S | S | * | * | cis | -140.7 | 0 | 6.3 | -115.2 | -60.7 | 0 | 0 | 0 | 107.9 |
Retrieved 333 of 333 residues in 57.3 ms
(Link to these results)