| 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 | 35.9 | Very low | 37.4 | Very low | 239 Ų | 239 | 163.7 Ų | 163.7 | 100% | 1.177 | 82% | 0.82 | S | S | * | * | 0 | 116.6 | 0 | -80.3 | 156 | 120.9 | 0 | 0 | 107.4 | |||||
| 2 | H | 40.9 | Very low | 36.9 | Very low | 182 Ų | 182 | 158 Ų | 158 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | trans | 47.1 | 86.4 | 173.5 | -57.3 | -54 | 0 | 0 | 0 | 120 | ||||
| 3 | H | 37.5 | Very low | 36.8 | Very low | 172 Ų | 172 | 158.8 Ų | 158.8 | 80% | 0.796 | 82% | 0.821 | S | S | * | * | trans | -88.3 | 111.8 | 153.4 | -138.7 | -81.5 | 0 | 0 | 0 | 107.3 | D5 | H3-D5 IonicContact CE1-OD1 3.71Å; H3-D5 IonicContact ND1-OD1 3.06Å; H3-D5 PolarHBondContact ND1-OD1 3.22Å | ||
| 4 | C | 41.9 | Very low | 36.4 | Very low | 104 Ų | 104 | 162.1 Ų | 162.1 | 70% | 0.703 | 83% | 0.834 | S | S | * | * | trans | -97.7 | 97.9 | 172.7 | -63.2 | 0 | 0 | 0 | 0 | 107.9 | V6 | C4-V6 PolarHBondContact O-N 3.2Š| ||
| 5 | D | 35.1 | Very low | 36 | Very low | 130 Ų | 130 | 158.4 Ų | 158.4 | 70% | 0.695 | 83% | 0.828 | S | S | * | * | trans | -76.3 | 102.2 | 173.3 | -72.8 | -20.7 | 0 | 0 | 0 | 109.7 | H3 | H3-D5 IonicContact CE1-OD1 3.71Å; H3-D5 IonicContact ND1-OD1 3.06Å; H3-D5 PolarHBondContact ND1-OD1 3.22Å | ||
| 6 | V | 40.2 | Very low | 36.3 | Very low | 128 Ų | 128 | 155.9 Ų | 155.9 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | trans | -95.6 | 102.7 | 168.1 | -172 | 0 | 0 | 0 | 0 | 107.9 | C4 | C4-V6 PolarHBondContact O-N 3.2Š| ||
| 7 | K | 34.4 | Very low | 36.5 | Very low | 185 Ų | 185 | 157.2 Ų | 157.2 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | trans | -81.2 | 123.3 | 169.8 | -67.6 | -178.7 | 179.5 | 178.8 | 0 | 109.2 | ||||
| 8 | P | 44.4 | Very low | 36.6 | Very low | 109 Ų | 109 | 154.2 Ų | 154.2 | 71% | 0.708 | 82% | 0.817 | S | S | * | * | trans | -88.6 | 111.8 | 169.2 | 25.9 | -16.3 | 0 | 0 | 0 | 110 | W10 | P8-W10 PolarHBondContact O-N 3.21Š| ||
| 9 | T | 37.1 | Very low | 36.5 | Very low | 134 Ų | 134 | 153.9 Ų | 153.9 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | trans | -71.4 | 99.4 | 164 | 40.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 10 | W | 31.3 | Very low | 36.9 | Very low | 219 Ų | 219 | 155.6 Ų | 155.6 | 83% | 0.83 | 82% | 0.816 | S | S | * | * | trans | -93.5 | 87.3 | 163.4 | -85.6 | -3.2 | 0 | 0 | 0 | 109.8 | P8 V169 | P8-W10 PolarHBondContact O-N 3.21Å; W10-V169 HydrophobicContact CH2-CG1 4.06Å | ||
| 11 | K | 32.3 | Very low | 37.1 | Very low | 199 Ų | 199 | 157.8 Ų | 157.8 | 87% | 0.865 | 82% | 0.819 | S | S | * | * | trans | -130.7 | 127.8 | 161.8 | -119 | -178 | -179.9 | -178.8 | 0 | 106 | ||||
| 12 | A | 31.8 | Very low | 37.5 | Very low | 95 Ų | 95 | 150.1 Ų | 150.1 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | 87.5 | 102.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 13 | I | 35.3 | Very low | 37.5 | Very low | 169 Ų | 169 | 147.8 Ų | 147.8 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | 176.2 | 82 | 129.1 | -76.8 | 146.8 | 0 | 0 | 0 | 104.9 | |||||
| 14 | M | 32 | Very low | 38.1 | Very low | 204 Ų | 204 | 143.3 Ų | 143.3 | 100% | 1.005 | 81% | 0.806 | S | S | * | * | trans | -164.5 | 47.7 | 165.2 | -90 | -119.3 | -119.1 | 0 | 0 | 109.8 | ||||
| 15 | S | 30.6 | Very low | 38 | Very low | 107 Ų | 107 | 145.9 Ų | 145.9 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | trans | -144.8 | 106.4 | 169.8 | -166.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 16 | T | 40.9 | Very low | 38.5 | Very low | 118 Ų | 118 | 144.2 Ų | 144.2 | 72% | 0.724 | 81% | 0.812 | S | S | * | * | trans | 167.8 | 139.8 | 135.8 | 42.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 17 | H | 39.6 | Very low | 38.6 | Very low | 178 Ų | 178 | 149 Ų | 149 | 82% | 0.824 | 82% | 0.816 | S | S | * | * | trans | 88.7 | 129.6 | 170.7 | -53.2 | 85.6 | 0 | 0 | 0 | 117.3 | ||||
| 18 | S | 37.6 | Very low | 39.2 | Very low | 104 Ų | 104 | 148 Ų | 148 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | cis | -171.2 | 131.6 | -22.6 | -170.9 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 19 | I | 35.2 | Very low | 39 | Very low | 149 Ų | 149 | 150.9 Ų | 150.9 | 76% | 0.764 | 82% | 0.818 | S | S | * | * | trans | -79.6 | 127.6 | 175.9 | -66.7 | 173.5 | 0 | 0 | 0 | 108.3 | ||||
| 20 | H | 45 | Very low | 39 | Very low | 187 Ų | 187 | 155.8 Ų | 155.8 | 87% | 0.866 | 82% | 0.821 | S | S | * | * | trans | -134.7 | 124.6 | 155.4 | -108.5 | 60.5 | 0 | 0 | 0 | 111 | ||||
| 21 | K | 40.3 | Very low | 39.3 | Very low | 201 Ų | 201 | 156.2 Ų | 156.2 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | trans | -76.3 | 142 | 179.1 | -69.6 | -177.6 | 174.3 | 178.9 | 0 | 110.4 | ||||
| 22 | G | 44.6 | Very low | 39.9 | Very low | 78 Ų | 78 | 156.1 Ų | 156.1 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | trans | -153.4 | 117 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 23 | S | 41.5 | Very low | 40 | Very low | 134 Ų | 134 | 160.4 Ų | 160.4 | 94% | 0.937 | 83% | 0.826 | S | S | * | * | trans | -68.7 | 147.1 | -175.8 | -178.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 24 | G | 48.4 | Very low | 40 | Very low | 78 Ų | 78 | 161.2 Ų | 161.2 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | 175.6 | 116.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 25 | N | 39.6 | Very low | 40.1 | Very low | 157 Ų | 157 | 156.8 Ų | 156.8 | 84% | 0.84 | 82% | 0.817 | S | S | * | * | trans | -91 | 153.9 | -161.4 | -148.4 | 5.8 | 0 | 0 | 0 | 113.7 | ||||
| 26 | S | 46.7 | Very low | 40.4 | Very low | 96 Ų | 96 | 157.5 Ų | 157.5 | 67% | 0.671 | 82% | 0.822 | S | S | * | * | trans | 111 | 128.2 | 144.4 | -50.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 27 | R | 43 | Very low | 40.1 | Very low | 228 Ų | 228 | 157.6 Ų | 157.6 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | trans | 92.1 | 95.6 | 143.6 | -79.2 | 175 | 172.2 | 179.7 | -2.5 | 120.6 | ||||
| 28 | Q | 45.3 | Very low | 39.8 | Very low | 165 Ų | 165 | 156.8 Ų | 156.8 | 77% | 0.771 | 82% | 0.824 | S | S | * | * | 47.3 | 112 | 124.1 | -66.6 | -173.1 | -21 | 0 | 0 | 119.5 | |||||
| 29 | H | 41.8 | Very low | 39.4 | Very low | 169 Ų | 169 | 159.6 Ų | 159.6 | 78% | 0.782 | 83% | 0.83 | S | S | * | * | -178.5 | 100.9 | 110.2 | -104.1 | 60 | 0 | 0 | 0 | 113.1 | |||||
| 30 | R | 35.5 | Very low | 39.5 | Very low | 236 Ų | 236 | 160.8 Ų | 160.8 | 89% | 0.891 | 83% | 0.832 | S | S | * | * | trans | 22.5 | 105.1 | 131.4 | -160 | 177.6 | 176.9 | -171.1 | -1.4 | 118.1 | ||||
| 31 | R | 38.4 | Very low | 38.7 | Very low | 229 Ų | 229 | 156.7 Ų | 156.7 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | trans | -160.7 | 106.6 | 139.2 | -125.8 | 170.2 | 159.6 | 156.2 | -6 | 114.8 | ||||
| 32 | K | 44.3 | Very low | 38.4 | Very low | 197 Ų | 197 | 156.9 Ų | 156.9 | 86% | 0.857 | 82% | 0.822 | S | S | * | * | trans | 50.9 | 119.3 | 137.4 | -64.9 | -173.9 | 175.2 | -173.8 | 0 | 120.8 | ||||
| 33 | Q | 34.1 | Very low | 37.7 | Very low | 185 Ų | 185 | 161.1 Ų | 161.1 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | trans | -47.1 | 149.3 | 165.6 | -60.7 | -165 | -28.3 | 0 | 0 | 116.3 | ||||
| 34 | M | 35.7 | Very low | 37.2 | Very low | 186 Ų | 186 | 162.3 Ų | 162.3 | 92% | 0.916 | 82% | 0.816 | S | S | * | * | -157.4 | 106.2 | 120.5 | -75.6 | -133.8 | 169.4 | 0 | 0 | 107.9 | |||||
| 35 | S | 33 | Very low | 36.2 | Very low | 110 Ų | 110 | 162.2 Ų | 162.2 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | 64 | 99.8 | 102.6 | -164.7 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 36 | S | 37.2 | Very low | 35.9 | Very low | 122 Ų | 122 | 160.8 Ų | 160.8 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | trans | -155.6 | 90.3 | 153.8 | 159.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 37 | T | 35.6 | Very low | 35.4 | Very low | 121 Ų | 121 | 162 Ų | 162 | 74% | 0.742 | 82% | 0.821 | S | S | * | * | trans | -61.4 | 117.2 | 166.5 | -51.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 38 | L | 33.2 | Very low | 34.9 | Very low | 160 Ų | 160 | 157.7 Ų | 157.7 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | 177.7 | 105.6 | 112.5 | -130.6 | 108.9 | 0 | 0 | 0 | 109.7 | |||||
| 39 | L | 29 | Very low | 34.4 | Very low | 164 Ų | 164 | 157.2 Ų | 157.2 | 86% | 0.859 | 82% | 0.818 | S | S | * | * | trans | -100.3 | 132.9 | 159.1 | -89.5 | 163.2 | 0 | 0 | 0 | 107 | ||||
| 40 | Q | 36.2 | Very low | 34.1 | Very low | 173 Ų | 173 | 159.5 Ų | 159.5 | 81% | 0.808 | 82% | 0.819 | S | S | * | * | trans | -177.5 | 104 | 138.6 | -105.1 | 163.2 | -32.5 | 0 | 0 | 109 | ||||
| 41 | T | 29.8 | Very low | 34 | Very low | 102 Ų | 102 | 157.9 Ų | 157.9 | 63% | 0.626 | 82% | 0.818 | S | S | * | * | 64.7 | 117.8 | 103.5 | 58.7 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 42 | F | 33.7 | Very low | 33.7 | Very low | 205 Ų | 205 | 151 Ų | 151 | 90% | 0.899 | 81% | 0.81 | S | S | * | * | -171.4 | 131.6 | 102 | -95.4 | -72.9 | 0 | 0 | 0 | 110.7 | |||||
| 43 | E | 29.7 | Very low | 33.1 | Very low | 167 Ų | 167 | 149.7 Ų | 149.7 | 78% | 0.78 | 81% | 0.813 | S | S | * | * | trans | -72.9 | 162.7 | 169.8 | -71.7 | 167.9 | 127.3 | 0 | 0 | 111.7 | ||||
| 44 | N | 30.8 | Very low | 33.4 | Very low | 159 Ų | 159 | 145.2 Ų | 145.2 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | trans | 88.7 | 118.8 | 157.8 | -53 | -37.7 | 0 | 0 | 0 | 117.9 | ||||
| 45 | G | 28.6 | Very low | 33.3 | Very low | 75 Ų | 75 | 142.9 Ų | 142.9 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | 134.9 | 101.4 | 143.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 46 | S | 32.3 | Very low | 33.1 | Very low | 127 Ų | 127 | 146.8 Ų | 146.8 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | trans | 72.3 | 128.4 | 138.8 | -151.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 47 | V | 35.7 | Very low | 33 | Very low | 123 Ų | 123 | 147.5 Ų | 147.5 | 75% | 0.745 | 78% | 0.782 | S | S | * | * | trans | -69.8 | 154.4 | 168.2 | 173.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 48 | D | 33.2 | Very low | 33.2 | Very low | 137 Ų | 137 | 147.7 Ų | 147.7 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | trans | 80.3 | 102.3 | 176.2 | -69.6 | -32.1 | 0 | 0 | 0 | 116.6 | ||||
| 49 | D | 34.9 | Very low | 33.5 | Very low | 155 Ų | 155 | 143.8 Ų | 143.8 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | -159.5 | 141.8 | 112.9 | -110.4 | -33.4 | 0 | 0 | 0 | 115 | |||||
| 50 | R | 35.5 | Very low | 33.9 | Very low | 216 Ų | 216 | 138.2 Ų | 138.2 | 82% | 0.815 | 75% | 0.747 | S | S | * | * | trans | -70.7 | 152.2 | 174.2 | -74.3 | 166.7 | -94.5 | -179.3 | -8 | 109.4 | ||||
| 51 | K | 32.7 | Very low | 34.4 | Very low | 202 Ų | 202 | 134.9 Ų | 134.9 | 88% | 0.878 | 74% | 0.74 | S | S | * | * | trans | 79.4 | 95.7 | 168.6 | -57.7 | 179.5 | 173.5 | -179.8 | 0 | 115.6 | ||||
| 52 | A | 33.2 | Very low | 35.3 | Very low | 84 Ų | 84 | 133.4 Ų | 133.4 | 69% | 0.694 | 73% | 0.725 | S | S | * | * | trans | -138.7 | 108.2 | 134.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | V54 | A52-V54 HydrophobicContact CB-CG2 4.29Å; A52-V54 PolarHBondContact O-N 3.47Å | ||
| 53 | D | 31.8 | Very low | 35.8 | Very low | 170 Ų | 170 | 130.1 Ų | 130.1 | 91% | 0.909 | 71% | 0.711 | S | S | * | * | trans | -59.9 | 88.5 | 162.1 | -71 | -50.5 | 0 | 0 | 0 | 107.7 | N55 | D53-N55 VanDerWaalsContact C-N 3.33Å; D53-N55 PolarHBondContact O-N 3.17Å | ||
| 54 | V | 40.7 | Very low | 37.3 | Very low | 91 Ų | 91 | 125.5 Ų | 125.5 | 55% | 0.552 | 69% | 0.694 | S | S | * | * | trans | -79.6 | 91.7 | 171.8 | -167.8 | 0 | 0 | 0 | 0 | 106.7 | A52 W56 | A52-V54 HydrophobicContact CB-CG2 4.29Å; A52-V54 PolarHBondContact O-N 3.47Å; V54-W56 HydrophobicContact CG1-CD2 4.23Å; V54-W56 HydrophobicContact CG1-CG 4.13Å; V54-W56 HydrophobicContact CG1-CZ2 4.44Å; V54-W56 PolarHBondContact O-N 3.47Å | ||
| 55 | N | 31.9 | Very low | 38.7 | Very low | 138 Ų | 138 | 121 Ų | 121 | 74% | 0.738 | 67% | 0.667 | S | S | * | * | trans | -62.1 | 89.5 | 163.7 | -175 | 10.7 | 0 | 0 | 0 | 108.1 | D53 N57 | D53-N55 VanDerWaalsContact C-N 3.33Å; D53-N55 PolarHBondContact O-N 3.17Å; N55-N57 PolarHBondContact O-N 3.42Å | ||
| 56 | W | 30.4 | Very low | 40.3 | Very low | 191 Ų | 191 | 120.6 Ų | 120.6 | 72% | 0.723 | 65% | 0.647 | S | S | * | * | trans | -71.4 | 70.7 | 173.1 | -78.7 | 95.4 | 0 | 0 | 0 | 109.8 | V54 H58 | V54-W56 HydrophobicContact CG1-CD2 4.23Å; V54-W56 HydrophobicContact CG1-CG 4.13Å; V54-W56 HydrophobicContact CG1-CZ2 4.44Å; V54-W56 PolarHBondContact O-N 3.47Å; W56-H58 AromaticContact CE3-CD2 3.6Å; W56-H58 AromaticContact CZ3-CD2 3.51Å; W56-H58 AromaticContact CZ3-NE2 3.93Å; W56-H58 PolarHBondContact O-N 3.18Å | ||
| 57 | N | 34.6 | Very low | 42.1 | Very low | 137 Ų | 137 | 118.6 Ų | 118.6 | 73% | 0.733 | 62% | 0.624 | S | S | * | * | trans | -83.4 | 66.1 | 164.7 | -151.3 | 18.5 | 0 | 0 | 0 | 108.7 | N55 | N55-N57 PolarHBondContact O-N 3.42Š| ||
| 58 | H | 39.4 | Very low | 43.6 | Very low | 125 Ų | 125 | 115.7 Ų | 115.7 | 58% | 0.579 | 61% | 0.606 | S | S | * | * | trans | -103.6 | 100.3 | 162.7 | -81.4 | -18 | 0 | 0 | 0 | 107.5 | W56 S60 | W56-H58 AromaticContact CE3-CD2 3.6Å; W56-H58 AromaticContact CZ3-CD2 3.51Å; W56-H58 AromaticContact CZ3-NE2 3.93Å; W56-H58 PolarHBondContact O-N 3.18Å; H58-S60 PolarHBondContact O-N 3.05Å; H58-S60 PolarHBondContact O-OG 3.18Å | ||
| 59 | G | 39.3 | Very low | 45.4 | Very low | 78 Ų | 78 | 109.8 Ų | 109.8 | 80% | 0.804 | 57% | 0.574 | S | S | * | * | trans | -55.3 | 81.9 | 151.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 60 | S | 37.7 | Very low | 47.2 | Very low | 47 Ų | 47 | 107.2 Ų | 107.2 | 33% | 0.329 | 56% | 0.558 | S | S | . | * | trans | -84.4 | 137.9 | -174.6 | 32.8 | 0 | 0 | 0 | 0 | 107.3 | H58 K62 K63 | H58-S60 PolarHBondContact O-N 3.05Å; H58-S60 PolarHBondContact O-OG 3.18Å; S60-K62 PolarHBondContact O-N 3.06Å; S60-K63 PolarHBondContact O-N 2.69Å | ||
| 61 | P | 47.7 | Very low | 49.2 | Very low | 103 Ų | 103 | 103.5 Ų | 103.5 | 67% | 0.669 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 0.8 | -176.5 | 19.7 | -30.4 | 0 | 0 | 0 | 114.5 | T64 | P61-T64 WeakPolarHBondContact O-CB 3.22Å; P61-T64 PolarHBondContact O-OG1 3.22Å |
| 62 | K | 47 | Very low | 51.1 | Low | 72 Ų | 72 | 95 Ų | 95 | 31% | 0.313 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -23 | -171.7 | -62.9 | 172.1 | 165.7 | -177.6 | 0 | 113.4 | S60 T64 F65 Y172 Q175 | S60-K62 PolarHBondContact O-N 3.06Å; K62-T64 PolarHBondContact O-N 3.21Å; K62-F65 PolarHBondContact O-N 3.09Å; K62-Y172 PolarHBondContact NZ-O 3.1Å; K62-Q175 VanDerWaalsContact CD-NE2 3.25Å |
| 63 | K | 45.3 | Very low | 53 | Low | 135 Ų | 135 | 92 Ų | 92 | 59% | 0.587 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -56 | -29.1 | 160.3 | -76.4 | -174.5 | 177.6 | -178.9 | 0 | 110.4 | S60 F65 E67 | S60-K63 PolarHBondContact O-N 2.69Å; K63-F65 PolarHBondContact O-N 3.33Å; K63-E67 WeakPolarHBondContact O-CB 3.24Å; K63-E67 WeakPolarHBondContact O-CG 3.31Å; K63-E67 PolarHBondContact O-N 2.95Å; K63-E67 VanDerWaalsContact O-N 3.16Å |
| 64 | T | 61.3 | Low | 55.2 | Low | 71 Ų | 71 | 89.5 Ų | 89.5 | 44% | 0.436 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.4 | -28.1 | 179.1 | 80.3 | 0 | 0 | 0 | 0 | 114.6 | P61 K62 T68 | P61-T64 WeakPolarHBondContact O-CB 3.22Å; P61-T64 PolarHBondContact O-OG1 3.22Å; K62-T64 PolarHBondContact O-N 3.21Å; T64-T68 WeakPolarHBondContact O-CA 3.43Å; T64-T68 WeakPolarHBondContact O-CB 3.24Å; T64-T68 PolarHBondContact O-N 3.18Å; T64-T68 PolarHBondContact O-OG1 2.86Å |
| 65 | F | 59 | Low | 56.8 | Low | 64 Ų | 64 | 93.5 Ų | 93.5 | 28% | 0.281 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -74 | -49.6 | -178 | -176.1 | -91.4 | 0 | 0 | 0 | 111.4 | K62 K63 E67 T68 I69 Y177 | K62-F65 PolarHBondContact O-N 3.09Å; K63-F65 PolarHBondContact O-N 3.33Å; F65-E67 VanDerWaalsContact C-N 3.29Å; F65-E67 PolarHBondContact O-N 2.99Å; F65-T68 CarbonylContact O-C 3.6Å; F65-T68 WeakPolarHBondContact O-CA 3.31Å; F65-T68 WeakPolarHBondContact O-CB 3.31Å; F65-T68 PolarHBondContact O-N 3.47Å; F65-I69 HydrophobicContact CD1-CG1 3.9Å; F65-I69 HydrophobicContact CE1-CD1 3.84Å; F65-I69 HydrophobicContact CE1-CG1 3.42Å; F65-I69 VanDerWaalsContact CE1-CG1 3.42Å; F65-I69 HydrophobicContact CE2-CD1 4.46Å; F65-I69 HydrophobicContact CE2-CG1 4.49Å; F65-I69 HydrophobicContact CZ-CD1 3.72Å; F65-I69 HydrophobicContact CZ-CG1 3.79Å; F65-I69 WeakPolarHBondContact O-CG1 3.41Å; F65-I69 PolarHBondContact O-N 3.44Å; F65-Y177 HydrophobicContact CD1-CE2 4.36Å; F65-Y177 VanDerWaalsContact CD1-OH 3.28Å; F65-Y177 WeakPolarHBondContact CD1-OH 3.4Å; F65-Y177 AromaticContact CE1-CE2 3.71Å; F65-Y177 HydrophobicContact CE1-CE2 3.71Å; F65-Y177 AromaticContact CE1-CZ 3.92Å; F65-Y177 VanDerWaalsContact CE1-OH 3.22Å; F65-Y177 WeakPolarHBondContact CE1-OH 3.49Å |
| 66 | N | 62.2 | Low | 58.5 | Low | 66 Ų | 66 | 88.5 Ų | 88.5 | 35% | 0.353 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60 | -42.2 | 174 | -72.8 | -10.2 | 0 | 0 | 0 | 110.8 | T68 I69 E70 Y177 | N66-T68 VanDerWaalsContact C-N 3.28Å; N66-T68 PolarHBondContact O-N 3.46Å; N66-I69 PolarHBondContact O-N 3.41Å; N66-E70 WeakPolarHBondContact O-CG 3.31Å; N66-E70 PolarHBondContact O-N 3.31Å; N66-Y177 PolarHBondContact OD1-OH 3.35Å |
| 67 | E | 71.3 | Confident | 60.1 | Low | 86 Ų | 86 | 85.8 Ų | 85.8 | 40% | 0.402 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.3 | -34.4 | 172.4 | -72.8 | 169 | -167.9 | 0 | 0 | 112.6 | K63 F65 K71 | K63-E67 WeakPolarHBondContact O-CB 3.24Å; K63-E67 WeakPolarHBondContact O-CG 3.31Å; K63-E67 PolarHBondContact O-N 2.95Å; K63-E67 VanDerWaalsContact O-N 3.16Å; F65-E67 VanDerWaalsContact C-N 3.29Å; F65-E67 PolarHBondContact O-N 2.99Å; E67-K71 VanDerWaalsContact O-CB 3.29Å; E67-K71 WeakPolarHBondContact O-CB 3.45Å; E67-K71 WeakPolarHBondContact O-CG 3.25Å; E67-K71 PolarHBondContact O-N 3.31Å |
| 68 | T | 67.5 | Low | 61.3 | Low | 61 Ų | 61 | 83.1 Ų | 83.1 | 37% | 0.374 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -68.6 | -45.5 | 176 | -63.7 | 0 | 0 | 0 | 0 | 109.9 | T64 F65 N66 K71 L72 | T64-T68 WeakPolarHBondContact O-CA 3.43Å; T64-T68 WeakPolarHBondContact O-CB 3.24Å; T64-T68 PolarHBondContact O-N 3.18Å; T64-T68 PolarHBondContact O-OG1 2.86Å; F65-T68 CarbonylContact O-C 3.6Å; F65-T68 WeakPolarHBondContact O-CA 3.31Å; F65-T68 WeakPolarHBondContact O-CB 3.31Å; F65-T68 PolarHBondContact O-N 3.47Å; N66-T68 VanDerWaalsContact C-N 3.28Å; N66-T68 PolarHBondContact O-N 3.46Å; T68-K71 CarbonylContact O-C 3.52Å; T68-K71 PolarHBondContact O-N 3.28Å; T68-L72 HydrophobicContact CG2-CD1 4.07Å; T68-L72 HydrophobicContact CG2-CG 4.22Å; T68-L72 WeakPolarHBondContact O-CB 3.12Å; T68-L72 WeakPolarHBondContact O-CG 3.29Å; T68-L72 PolarHBondContact O-N 3.42Å |
| 69 | I | 69.3 | Low | 62 | Low | 13 Ų | 13 | 82 Ų | 82 | 7% | 0.067 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -59.1 | -47.4 | 174.5 | -68 | -67.6 | 0 | 0 | 0 | 110.3 | F65 N66 K71 L72 L73 V134 L147 | F65-I69 HydrophobicContact CD1-CG1 3.9Å; F65-I69 HydrophobicContact CE1-CD1 3.84Å; F65-I69 HydrophobicContact CE1-CG1 3.42Å; F65-I69 VanDerWaalsContact CE1-CG1 3.42Å; F65-I69 HydrophobicContact CE2-CD1 4.46Å; F65-I69 HydrophobicContact CE2-CG1 4.49Å; F65-I69 HydrophobicContact CZ-CD1 3.72Å; F65-I69 HydrophobicContact CZ-CG1 3.79Å; F65-I69 WeakPolarHBondContact O-CG1 3.41Å; F65-I69 PolarHBondContact O-N 3.44Å; N66-I69 PolarHBondContact O-N 3.41Å; I69-K71 PolarHBondContact O-N 3.32Å; I69-L72 PolarHBondContact O-N 2.83Å; I69-L73 HydrophobicContact CG2-CD1 3.77Å; I69-L73 HydrophobicContact CG2-CG 4.44Å; I69-L73 WeakPolarHBondContact O-CB 3.28Å; I69-L73 VanDerWaalsContact O-CG 3.29Å; I69-L73 WeakPolarHBondContact O-CG 3.45Å; I69-L73 PolarHBondContact O-N 3.19Å; I69-V134 HydrophobicContact CD1-CG2 4.49Å; I69-L147 HydrophobicContact CB-CD2 4.45Å; I69-L147 HydrophobicContact CD1-CD2 3.83Å; I69-L147 HydrophobicContact CG2-CD1 4.33Å; I69-L147 HydrophobicContact CG2-CD2 3.58Å |
| 70 | E | 73.8 | Confident | 62.6 | Low | 102 Ų | 102 | 86.7 Ų | 86.7 | 48% | 0.477 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.9 | -42.8 | 174 | -77.6 | -171.6 | -160.4 | 0 | 0 | 112.7 | N66 L72 L73 K74 | N66-E70 WeakPolarHBondContact O-CG 3.31Å; N66-E70 PolarHBondContact O-N 3.31Å; E70-L72 VanDerWaalsContact C-N 3.34Å; E70-L73 PolarHBondContact O-N 2.99Å; E70-K74 VanDerWaalsContact O-CB 3.31Å; E70-K74 WeakPolarHBondContact O-CB 3.35Å; E70-K74 VanDerWaalsContact O-CG 3.24Å; E70-K74 WeakPolarHBondContact O-CG 3.17Å; E70-K74 PolarHBondContact O-N 3.43Å; E70-K74 IonicContact OE2-NZ 3.32Å; E70-K74 PolarHBondContact OE2-NZ 2.85Å |
| 71 | K | 76.1 | Confident | 63.1 | Low | 137 Ų | 137 | 89.2 Ų | 89.2 | 60% | 0.596 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -64 | -39.7 | 175.8 | -77.9 | 168.7 | -176.6 | 170.3 | 0 | 111.4 | E67 T68 I69 R75 | E67-K71 VanDerWaalsContact O-CB 3.29Å; E67-K71 WeakPolarHBondContact O-CB 3.45Å; E67-K71 WeakPolarHBondContact O-CG 3.25Å; E67-K71 PolarHBondContact O-N 3.31Å; T68-K71 CarbonylContact O-C 3.52Å; T68-K71 PolarHBondContact O-N 3.28Å; I69-K71 PolarHBondContact O-N 3.32Å; K71-R75 VanDerWaalsContact O-CB 3.31Å; K71-R75 WeakPolarHBondContact O-CB 3.29Å; K71-R75 PolarHBondContact O-N 3.2Å |
| 72 | L | 74.5 | Confident | 63 | Low | 23 Ų | 23 | 89.5 Ų | 89.5 | 12% | 0.12 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -66.3 | -43.7 | 177 | -72.8 | -179.8 | 0 | 0 | 0 | 111.2 | T68 I69 E70 R75 S76 A132 | T68-L72 HydrophobicContact CG2-CD1 4.07Å; T68-L72 HydrophobicContact CG2-CG 4.22Å; T68-L72 WeakPolarHBondContact O-CB 3.12Å; T68-L72 WeakPolarHBondContact O-CG 3.29Å; T68-L72 PolarHBondContact O-N 3.42Å; I69-L72 PolarHBondContact O-N 2.83Å; E70-L72 VanDerWaalsContact C-N 3.34Å; L72-R75 PolarHBondContact O-N 2.97Å; L72-S76 PolarHBondContact O-N 3.47Å; L72-S76 VanDerWaalsContact O-N 3.09Å; L72-S76 PolarHBondContact O-OG 2.97Å; L72-A132 HydrophobicContact CD1-CB 4.13Å |
| 73 | L | 72.1 | Confident | 62.8 | Low | 22 Ų | 22 | 91.9 Ų | 91.9 | 12% | 0.115 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -63.8 | -46.5 | 175.3 | -74 | 164.1 | 0 | 0 | 0 | 112 | I69 E70 R75 S76 Q77 H129 L147 F162 | I69-L73 HydrophobicContact CG2-CD1 3.77Å; I69-L73 HydrophobicContact CG2-CG 4.44Å; I69-L73 WeakPolarHBondContact O-CB 3.28Å; I69-L73 VanDerWaalsContact O-CG 3.29Å; I69-L73 WeakPolarHBondContact O-CG 3.45Å; I69-L73 PolarHBondContact O-N 3.19Å; E70-L73 PolarHBondContact O-N 2.99Å; L73-R75 VanDerWaalsContact C-N 3.29Å; L73-R75 PolarHBondContact O-N 2.76Å; L73-S76 WeakPolarHBondContact CA-OG 3.3Å; L73-S76 PolarHBondContact O-N 2.81Å; L73-S76 PolarHBondContact O-OG 2.99Å; L73-Q77 PolarHBondContact O-N 3.27Å; L73-H129 VanDerWaalsContact CD2-CE1 3.45Å; L73-H129 WeakPolarHBondContact CD2-CE1 3.42Å; L73-L147 HydrophobicContact CD1-CD2 4.15Å; L73-L147 HydrophobicContact CD2-CD2 3.85Å; L73-L147 HydrophobicContact CD2-CG 4.4Å; L73-L147 HydrophobicContact CG-CD2 3.74Å; L73-F162 WeakPolarHBondContact CD1-O 3.34Å |
| 74 | K | 78.4 | Confident | 62.7 | Low | 118 Ų | 118 | 90.2 Ų | 90.2 | 51% | 0.513 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60 | -41.1 | 175.4 | -76.3 | 167 | -179.1 | 159.7 | 0 | 111.1 | E70 S76 Q77 S78 | E70-K74 VanDerWaalsContact O-CB 3.31Å; E70-K74 WeakPolarHBondContact O-CB 3.35Å; E70-K74 VanDerWaalsContact O-CG 3.24Å; E70-K74 WeakPolarHBondContact O-CG 3.17Å; E70-K74 PolarHBondContact O-N 3.43Å; E70-K74 IonicContact OE2-NZ 3.32Å; E70-K74 PolarHBondContact OE2-NZ 2.85Å; K74-S76 PolarHBondContact O-N 3.05Å; K74-Q77 PolarHBondContact O-N 2.98Å; K74-S78 PolarHBondContact O-N 3.25Å; K74-S78 PolarHBondContact O-OG 3.1Å |
| 75 | R | 74 | Confident | 61.8 | Low | 174 Ų | 174 | 94.2 Ų | 94.2 | 66% | 0.657 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.8 | -38.2 | 177.3 | -171.9 | 172.9 | -176 | 169.2 | 1.2 | 112.3 | K71 L72 L73 Q77 I79 | K71-R75 VanDerWaalsContact O-CB 3.31Å; K71-R75 WeakPolarHBondContact O-CB 3.29Å; K71-R75 PolarHBondContact O-N 3.2Å; L72-R75 PolarHBondContact O-N 2.97Å; L73-R75 VanDerWaalsContact C-N 3.29Å; L73-R75 PolarHBondContact O-N 2.76Å; R75-Q77 VanDerWaalsContact C-N 3.35Å; R75-I79 HydrophobicContact CG-CD1 4.04Å; R75-I79 VanDerWaalsContact O-CD1 3.31Å; R75-I79 WeakPolarHBondContact O-CD1 3.35Å; R75-I79 VanDerWaalsContact O-CG1 3.24Å; R75-I79 WeakPolarHBondContact O-CG1 3.24Å; R75-I79 PolarHBondContact O-N 2.73Å |
| 76 | S | 67.6 | Low | 61.4 | Low | 34 Ų | 34 | 97.8 Ų | 97.8 | 24% | 0.238 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -65.1 | -36.6 | 174.1 | 40.4 | 0 | 0 | 0 | 0 | 112.9 | L72 L73 K74 | L72-S76 PolarHBondContact O-N 3.47Å; L72-S76 VanDerWaalsContact O-N 3.09Å; L72-S76 PolarHBondContact O-OG 2.97Å; L73-S76 WeakPolarHBondContact CA-OG 3.3Å; L73-S76 PolarHBondContact O-N 2.81Å; L73-S76 PolarHBondContact O-OG 2.99Å; K74-S76 PolarHBondContact O-N 3.05Å |
| 77 | Q | 64.7 | Low | 60.2 | Low | 133 Ų | 133 | 99.9 Ų | 99.9 | 62% | 0.621 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -73.6 | -33.3 | 179.9 | -69.1 | 174.6 | -7.3 | 0 | 0 | 113 | L73 K74 R75 I79 | L73-Q77 PolarHBondContact O-N 3.27Å; K74-Q77 PolarHBondContact O-N 2.98Å; R75-Q77 VanDerWaalsContact C-N 3.35Å; Q77-I79 VanDerWaalsContact C-N 3.3Å; Q77-I79 PolarHBondContact O-N 3.48Å |
| 78 | S | 59.6 | Low | 59 | Low | 81 Ų | 81 | 103.6 Ų | 103.6 | 57% | 0.566 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -73.4 | -20.4 | 177.2 | -55 | 0 | 0 | 0 | 0 | 113.6 | K74 E80 | K74-S78 PolarHBondContact O-N 3.25Å; K74-S78 PolarHBondContact O-OG 3.1Å; S78-E80 VanDerWaalsContact C-N 3.32Å |
| 79 | I | 54.5 | Low | 58.1 | Low | 103 Ų | 103 | 106.3 Ų | 106.3 | 53% | 0.528 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -78.1 | -17.8 | 179.3 | -67.1 | 166.4 | 0 | 0 | 0 | 111.6 | R75 Q77 S81 | R75-I79 HydrophobicContact CG-CD1 4.04Å; R75-I79 VanDerWaalsContact O-CD1 3.31Å; R75-I79 WeakPolarHBondContact O-CD1 3.35Å; R75-I79 VanDerWaalsContact O-CG1 3.24Å; R75-I79 WeakPolarHBondContact O-CG1 3.24Å; R75-I79 PolarHBondContact O-N 2.73Å; Q77-I79 VanDerWaalsContact C-N 3.3Å; Q77-I79 PolarHBondContact O-N 3.48Å; I79-S81 VanDerWaalsContact C-N 3.35Å; I79-S81 PolarHBondContact O-N 3.45Å |
| 80 | E | 51.2 | Low | 57 | Low | 176 Ų | 176 | 113.6 Ų | 113.6 | 82% | 0.822 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | 1.4 | 176.9 | -81.2 | 178.8 | 159.8 | 0 | 0 | 114.7 | S78 | S78-E80 VanDerWaalsContact C-N 3.32Š|
| 81 | S | 47.1 | Very low | 55.5 | Low | 100 Ų | 100 | 115.6 Ų | 115.6 | 70% | 0.699 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.6 | 1.7 | -175.9 | -53.3 | 0 | 0 | 0 | 0 | 115.2 | I79 | I79-S81 VanDerWaalsContact C-N 3.35Å; I79-S81 PolarHBondContact O-N 3.45Å |
| 82 | T | 46.7 | Very low | 53.8 | Low | 108 Ų | 108 | 116.1 Ų | 116.1 | 66% | 0.663 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -143 | 62.8 | -179.3 | 59.9 | 0 | 0 | 0 | 0 | 111.1 | ||
| 83 | D | 42.4 | Very low | 52.4 | Low | 122 Ų | 122 | 119.9 Ų | 119.9 | 65% | 0.652 | 66% | 0.664 | S | S | * | * | trans | -153.8 | 60.5 | 163.5 | -92.9 | -32.7 | 0 | 0 | 0 | 109.1 | ||||
| 84 | A | 43.6 | Very low | 50.9 | Low | 101 Ų | 101 | 127.6 Ų | 127.6 | 84% | 0.835 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -118.8 | 40.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 85 | D | 43.2 | Very low | 48.9 | Very low | 154 Ų | 154 | 125.4 Ų | 125.4 | 82% | 0.824 | 72% | 0.716 | S | S | * | * | trans | -166.9 | 56.5 | 167.3 | -135.1 | -4 | 0 | 0 | 0 | 113.3 | ||||
| 86 | I | 49.6 | Very low | 47.7 | Very low | 140 Ų | 140 | 125.8 Ų | 125.8 | 72% | 0.718 | 73% | 0.73 | S | S | * | * | trans | -130.9 | 87.4 | 162.1 | -56.5 | -179.7 | 0 | 0 | 0 | 108.5 | M88 | I86-M88 PolarHBondContact O-N 3.02Š| ||
| 87 | S | 37.5 | Very low | 47 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | trans | -50.5 | 115.5 | 165.4 | 175.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 88 | M | 46.4 | Very low | 46.4 | Very low | 164 Ų | 164 | 130.9 Ų | 130.9 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | trans | -53.7 | 137.2 | 169.3 | -67 | -166.2 | 82.1 | 0 | 0 | 110.4 | I86 K90 | I86-M88 PolarHBondContact O-N 3.02Å; M88-K90 PolarHBondContact O-N 2.83Å | ||
| 89 | P | 48.4 | Very low | 46 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | trans | -69.8 | 118.4 | 172.3 | 26.9 | -29.5 | 0 | 0 | 0 | 109.2 | V91 | P89-V91 PolarHBondContact O-N 3.01Š| ||
| 90 | K | 45.2 | Very low | 46 | Very low | 167 Ų | 167 | 135.7 Ų | 135.7 | 73% | 0.726 | 78% | 0.783 | S | S | * | * | trans | -63.5 | 106.6 | 171.1 | -178.1 | 169.8 | 178.8 | 175.7 | 0 | 109.3 | M88 M92 | M88-K90 PolarHBondContact O-N 2.83Å; K90-M92 HydrophobicContact CD-SD 4.41Å; K90-M92 WeakPolarHBondContact CE-SD 3.43Å; K90-M92 HydrophobicContact CG-CG 4.04Å; K90-M92 HydrophobicContact CG-SD 4.44Å; K90-M92 PolarHBondContact O-N 2.95Å | ||
| 91 | V | 42.3 | Very low | 45.7 | Very low | 143 Ų | 143 | 132.9 Ų | 132.9 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | trans | -76.6 | 102.1 | 167.8 | -173.4 | 0 | 0 | 0 | 0 | 107.6 | P89 | P89-V91 PolarHBondContact O-N 3.01Š| ||
| 92 | M | 41.8 | Very low | 45.7 | Very low | 149 Ų | 149 | 136.3 Ų | 136.3 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | -141.9 | 111.9 | 166.7 | -78 | -166.2 | 175.1 | 0 | 0 | 108.8 | K90 | K90-M92 HydrophobicContact CD-SD 4.41Å; K90-M92 WeakPolarHBondContact CE-SD 3.43Å; K90-M92 HydrophobicContact CG-CG 4.04Å; K90-M92 HydrophobicContact CG-SD 4.44Å; K90-M92 PolarHBondContact O-N 2.95Å | ||
| 93 | A | 44.2 | Very low | 45.8 | Very low | 101 Ų | 101 | 142.4 Ų | 142.4 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | 178.7 | 99.3 | 136.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 94 | L | 39.8 | Very low | 46.1 | Very low | 185 Ų | 185 | 140.9 Ų | 140.9 | 97% | 0.969 | 81% | 0.805 | S | S | * | * | trans | -76 | 141 | 155.5 | -70.4 | 166.3 | 0 | 0 | 0 | 107.9 | ||||
| 95 | G | 38.1 | Very low | 46.7 | Very low | 72 Ų | 72 | 140.9 Ų | 140.9 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | trans | 126.6 | 98.6 | 160.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 96 | L | 47.4 | Very low | 47.2 | Very low | 182 Ų | 182 | 139.4 Ų | 139.4 | 95% | 0.953 | 80% | 0.804 | S | S | * | * | trans | -164.2 | 112.7 | 137.3 | -96.8 | 159.8 | 0 | 0 | 0 | 107.3 | ||||
| 97 | E | 54.1 | Low | 47.4 | Very low | 180 Ų | 180 | 137.3 Ų | 137.3 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | trans | -81.9 | 169.1 | -176.2 | -80.3 | -72.3 | 128.9 | 0 | 0 | 112.4 | ||||
| 98 | P | 51.1 | Low | 48.2 | Very low | 93 Ų | 93 | 138.8 Ų | 138.8 | 60% | 0.604 | 80% | 0.801 | S | S | * | * | trans | -102.2 | 171.3 | -148.3 | 40.3 | -36.1 | 0 | 0 | 0 | 114.2 | ||||
| 99 | N | 51.9 | Low | 48.6 | Very low | 156 Ų | 156 | 138.9 Ų | 138.9 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | trans | 164.1 | 131.7 | 150.9 | -80.5 | -33.5 | 0 | 0 | 0 | 106.4 | ||||
| 100 | T | 54.7 | Low | 48.7 | Very low | 129 Ų | 129 | 140.6 Ų | 140.6 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | cis | -169.4 | 147.8 | 35.6 | -34.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 101 | P | 44.2 | Very low | 49 | Very low | 117 Ų | 117 | 142.1 Ų | 142.1 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | trans | -98.4 | 142 | -176.7 | 34.8 | -29.6 | 0 | 0 | 0 | 113.6 | ||||
| 102 | L | 47.6 | Very low | 49.4 | Very low | 173 Ų | 173 | 145.3 Ų | 145.3 | 91% | 0.906 | 81% | 0.814 | S | S | * | * | trans | -147.9 | 95.6 | 166.6 | -102.7 | 151.6 | 0 | 0 | 0 | 112 | ||||
| 103 | R | 49.7 | Very low | 49.4 | Very low | 236 Ų | 236 | 141.4 Ų | 141.4 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | trans | 16.6 | 122.8 | 133.9 | -174.1 | 172.4 | 176.2 | -175.5 | -1.5 | 118.7 | ||||
| 104 | A | 48.2 | Very low | 49.9 | Very low | 89 Ų | 89 | 140.8 Ų | 140.8 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | 167.8 | 111.9 | 106 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 105 | A | 56 | Low | 50.7 | Low | 102 Ų | 102 | 137.7 Ų | 137.7 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | 48.8 | 148 | 139.2 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 106 | P | 53.9 | Low | 51.5 | Low | 122 Ų | 122 | 140.9 Ų | 140.9 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | trans | -106.6 | 162.4 | -162.3 | 40.6 | -29.3 | 0 | 0 | 0 | 113.5 | ||||
| 107 | S | 52.3 | Low | 52 | Low | 97 Ų | 97 | 140.7 Ų | 140.7 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | trans | -170.7 | 134.6 | 155.4 | 57.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 108 | N | 55.1 | Low | 52.2 | Low | 140 Ų | 140 | 136.3 Ų | 136.3 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | trans | 96.9 | 143.3 | 153.5 | -47.7 | -25.8 | 0 | 0 | 0 | 117.9 | ||||
| 109 | E | 55.7 | Low | 52.9 | Low | 166 Ų | 166 | 136.6 Ų | 136.6 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | cis | -164.9 | 143.1 | -33.1 | -79.3 | -158.2 | 151.1 | 0 | 0 | 102.3 | ||||
| 110 | D | 49.8 | Very low | 54.2 | Low | 154 Ų | 154 | 134 Ų | 134 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | 37.6 | 92.1 | 156.1 | -62.5 | -37.5 | 0 | 0 | 0 | 120.1 | ||||
| 111 | E | 51.4 | Low | 55.5 | Low | 199 Ų | 199 | 134.8 Ų | 134.8 | 93% | 0.93 | 79% | 0.787 | S | S | * | * | trans | -120.7 | 111.1 | 150 | -112 | -166.2 | 123.8 | 0 | 0 | 111.1 | G113 | E111-G113 PolarHBondContact O-N 2.8Š| ||
| 112 | K | 50.5 | Low | 57.6 | Low | 209 Ų | 209 | 134.8 Ų | 134.8 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | -51.8 | 108.2 | 175.4 | -73.5 | 172.2 | 175.1 | 173 | 0 | 110.1 | A114 | K112-A114 PolarHBondContact O-N 3.17Š| ||
| 113 | G | 42.3 | Very low | 59.5 | Low | 68 Ų | 68 | 138.1 Ų | 138.1 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | trans | -57.3 | 107.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | E111 V115 | E111-G113 PolarHBondContact O-N 2.8Å; G113-V115 PolarHBondContact O-N 3.36Å | ||
| 114 | A | 54.9 | Low | 61.3 | Low | 88 Ų | 88 | 133.3 Ų | 133.3 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -63.3 | 97.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | K112 N116 | K112-A114 PolarHBondContact O-N 3.17Å; A114-N116 PolarHBondContact O-N 2.95Å | ||
| 115 | V | 55.8 | Low | 63.3 | Low | 120 Ų | 120 | 132 Ų | 132 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -61.8 | 108.1 | 169.4 | 179.2 | 0 | 0 | 0 | 0 | 107 | G113 Q117 | G113-V115 PolarHBondContact O-N 3.36Å; V115-Q117 VanDerWaalsContact C-N 3.32Å; V115-Q117 PolarHBondContact O-N 3.42Å | ||
| 116 | N | 55.8 | Low | 65 | Low | 139 Ų | 139 | 135.2 Ų | 135.2 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | trans | -61.5 | 90.3 | 174.7 | -83.3 | -38.6 | 0 | 0 | 0 | 110 | A114 A118 | A114-N116 PolarHBondContact O-N 2.95Å; N116-A118 PolarHBondContact O-N 3.23Å | ||
| 117 | Q | 56.6 | Low | 66.6 | Low | 177 Ų | 177 | 134.9 Ų | 134.9 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 5.9 | 178.9 | -71.9 | 179.4 | 27 | 0 | 0 | 114.2 | V115 A119 | V115-Q117 VanDerWaalsContact C-N 3.32Å; V115-Q117 PolarHBondContact O-N 3.42Å; Q117-A119 VanDerWaalsContact C-N 3.34Å |
| 118 | A | 58.9 | Low | 68.3 | Low | 88 Ų | 88 | 134.1 Ų | 134.1 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -1.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | N116 S120 | N116-A118 PolarHBondContact O-N 3.23Å; A118-S120 PolarHBondContact O-N 3.17Å |
| 119 | A | 65.6 | Low | 69.6 | Low | 100 Ų | 100 | 128.3 Ų | 128.3 | 83% | 0.826 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | 6.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q117 | Q117-A119 VanDerWaalsContact C-N 3.34Š|
| 120 | S | 79.6 | Confident | 71.3 | Confident | 101 Ų | 101 | 128 Ų | 128 | 71% | 0.706 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | -9.9 | -171.6 | 59.8 | 0 | 0 | 0 | 0 | 115.8 | A118 | A118-S120 PolarHBondContact O-N 3.17Š|
| 121 | I | 82.1 | Confident | 73.2 | Confident | 145 Ų | 145 | 123.1 Ų | 123.1 | 74% | 0.744 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -106.5 | 119.9 | 179.1 | -56 | 175.1 | 0 | 0 | 0 | 109.3 | R123 | I121-R123 PolarHBondContact O-N 2.61Š|
| 122 | P | 87.9 | Confident | 75 | Confident | 118 Ų | 118 | 113.9 Ų | 113.9 | 77% | 0.766 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 130.7 | 174 | -24.6 | 34 | 0 | 0 | 0 | 111.8 | ||
| 123 | R | 87.8 | Confident | 77.1 | Confident | 243 Ų | 243 | 106.5 Ų | 106.5 | 92% | 0.917 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 126.2 | 175.7 | -174.6 | 178 | 178.3 | -178.8 | 0.3 | 110.2 | I121 A125 | I121-R123 PolarHBondContact O-N 2.61Å; R123-A125 PolarHBondContact O-N 3.47Å |
| 124 | V | 88.2 | Confident | 79.6 | Confident | 134 Ų | 134 | 103.2 Ų | 103.2 | 81% | 0.812 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 125 | 174.9 | -178.7 | 0 | 0 | 0 | 0 | 109.8 | ||
| 125 | A | 89 | Confident | 81.6 | Confident | 63 Ų | 63 | 102.7 Ų | 102.7 | 52% | 0.521 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -76.2 | 146.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | R123 L127 | R123-A125 PolarHBondContact O-N 3.47Å; A125-L127 PolarHBondContact O-N 3.18Å |
| 126 | Q | 91.3 | Very high | 83.6 | Confident | 169 Ų | 169 | 97 Ų | 97 | 79% | 0.79 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 132.1 | 167.3 | -69.7 | -175.6 | -8.9 | 0 | 0 | 109.6 | H128 N131 | Q126-H128 PolarHBondContact O-ND1 3.44Å; Q126-H128 VanDerWaalsContact O-ND1 3.1Å; Q126-N131 PolarHBondContact O-ND2 2.65Å |
| 127 | L | 88.2 | Confident | 85.6 | Confident | 114 Ų | 114 | 91.1 Ų | 91.1 | 60% | 0.597 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -79 | 132.9 | -179.7 | -60.6 | -177.5 | 0 | 0 | 0 | 110.9 | A125 N131 A132 | A125-L127 PolarHBondContact O-N 3.18Å; L127-N131 WeakPolarHBondContact CA-OD1 3.41Å; L127-A132 HydrophobicContact CB-CB 4.22Å |
| 128 | H | 87.2 | Confident | 87.6 | Confident | 82 Ų | 82 | 82.7 Ų | 82.7 | 38% | 0.38 | 46% | 0.457 | S | S | . | . | trans | -144.3 | 167.4 | 178.7 | 53.6 | -97 | 0 | 0 | 0 | 109.6 | Q126 Y130 N131 A132 | Q126-H128 PolarHBondContact O-ND1 3.44Å; Q126-H128 VanDerWaalsContact O-ND1 3.1Å; H128-Y130 AromaticContact CD2-CD2 3.87Å; H128-Y130 PolarHBondContact CD2-N 3.1Å; H128-Y130 PolarHBondContact O-N 3.18Å; H128-N131 PolarHBondContact CE1-ND2 3.01Å; H128-N131 PolarHBondContact CE1-OD1 3.38Å; H128-N131 PolarHBondContact N-OD1 3.38Å; H128-N131 PolarHBondContact ND1-ND2 3.12Å; H128-N131 PolarHBondContact ND1-OD1 3.16Å; H128-N131 PolarHBondContact O-N 3.03Å; H128-N131 PolarHBondContact O-OD1 3.03Å; H128-N131 VanDerWaalsContact O-OD1 3.05Å; H128-A132 VanDerWaalsContact O-CB 3.24Å; H128-A132 WeakPolarHBondContact O-CB 3.48Å; H128-A132 PolarHBondContact O-N 3.5Å | ||
| 129 | H | 84.3 | Confident | 89.4 | Confident | 17 Ų | 17 | 80.6 Ų | 80.6 | 8% | 0.079 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -45.4 | -36.9 | -178.3 | -175.6 | 88.8 | 0 | 0 | 0 | 114.5 | L73 L147 A148 T151 | L73-H129 VanDerWaalsContact CD2-CE1 3.45Å; L73-H129 WeakPolarHBondContact CD2-CE1 3.42Å; H129-L147 WeakPolarHBondContact CE1-CG 3.23Å; H129-L147 WeakPolarHBondContact ND1-CD2 3.38Å; H129-L147 VanDerWaalsContact ND1-CG 3.28Å; H129-L147 WeakPolarHBondContact ND1-CG 3.14Å; H129-L147 PolarHBondContact O-N 2.65Å; H129-A148 VanDerWaalsContact CD2-CA 3.45Å; H129-A148 WeakPolarHBondContact CD2-CA 3.36Å; H129-A148 PolarHBondContact CD2-N 3.49Å; H129-A148 VanDerWaalsContact NE2-CA 3.31Å; H129-A148 WeakPolarHBondContact NE2-CA 3.42Å; H129-A148 PolarHBondContact NE2-N 3.28Å; H129-A148 PolarHBondContact O-N 3.22Å; H129-T151 PolarHBondContact CE1-OG1 3.13Å; H129-T151 VanDerWaalsContact CE1-OG1 3.28Å; H129-T151 PolarHBondContact NE2-OG1 3.36Å |
| 130 | Y | 90.2 | Very high | 90.9 | Very high | 160 Ų | 160 | 78.6 Ų | 78.6 | 63% | 0.627 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -20 | -178.1 | -54.3 | -88.2 | 0 | 0 | 0 | 115.7 | H128 T146 A148 | H128-Y130 AromaticContact CD2-CD2 3.87Å; H128-Y130 PolarHBondContact CD2-N 3.1Å; H128-Y130 PolarHBondContact O-N 3.18Å; Y130-T146 WeakPolarHBondContact O-CG2 3.48Å; Y130-A148 HydrophobicContact CD1-CB 3.4Å; Y130-A148 HydrophobicContact CE1-CB 3.99Å; Y130-A148 HydrophobicContact CG-CB 4.05Å |
| 131 | N | 89.9 | Confident | 91.8 | Very high | 51 Ų | 51 | 76.3 Ų | 76.3 | 27% | 0.273 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.1 | -9.3 | -175.9 | 76.6 | -10 | 0 | 0 | 0 | 114.5 | Q126 L127 H128 P133 | Q126-N131 PolarHBondContact O-ND2 2.65Å; L127-N131 WeakPolarHBondContact CA-OD1 3.41Å; H128-N131 PolarHBondContact CE1-ND2 3.01Å; H128-N131 PolarHBondContact CE1-OD1 3.38Å; H128-N131 PolarHBondContact N-OD1 3.38Å; H128-N131 PolarHBondContact ND1-ND2 3.12Å; H128-N131 PolarHBondContact ND1-OD1 3.16Å; H128-N131 PolarHBondContact O-N 3.03Å; H128-N131 PolarHBondContact O-OD1 3.03Å; H128-N131 VanDerWaalsContact O-OD1 3.05Å; N131-P133 WeakPolarHBondContact O-CD 3.15Å |
| 132 | A | 89.6 | Confident | 92.5 | Very high | 5 Ų | 5 | 74 Ų | 74 | 4% | 0.041 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -68.9 | 122.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | L72 L127 H128 V134 T146 | L72-A132 HydrophobicContact CD1-CB 4.13Å; L127-A132 HydrophobicContact CB-CB 4.22Å; H128-A132 VanDerWaalsContact O-CB 3.24Å; H128-A132 WeakPolarHBondContact O-CB 3.48Å; H128-A132 PolarHBondContact O-N 3.5Å; A132-V134 PolarHBondContact O-N 3.41Å; A132-T146 WeakPolarHBondContact O-CA 3.49Å |
| 133 | P | 94.6 | Very high | 93 | Very high | 54 Ų | 54 | 70.2 Ų | 70.2 | 35% | 0.351 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 135.3 | 179.4 | 27 | -32.9 | 0 | 0 | 0 | 110.6 | N131 T144 T145 | N131-P133 WeakPolarHBondContact O-CD 3.15Å; P133-T144 HydrophobicContact CB-CG2 3.86Å; P133-T145 CarbonylContact C-O 3.59Å; P133-T145 WeakPolarHBondContact CA-O 3.47Å |
| 134 | V | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 119.8 | 171.2 | -177.7 | 0 | 0 | 0 | 0 | 107.3 | I69 A132 L136 T144 T145 L147 L150 F162 Y177 | I69-V134 HydrophobicContact CD1-CG2 4.49Å; A132-V134 PolarHBondContact O-N 3.41Å; V134-L136 HydrophobicContact CG1-CD2 3.95Å; V134-T144 WeakPolarHBondContact O-CA 3.36Å; V134-T145 PolarHBondContact N-O 3.43Å; V134-T145 PolarHBondContact O-N 3.17Å; V134-L147 HydrophobicContact CG2-CB 4.28Å; V134-L150 HydrophobicContact CB-CD1 4.14Å; V134-L150 HydrophobicContact CG1-CD1 3.82Å; V134-F162 HydrophobicContact CG1-CD1 4.39Å; V134-F162 HydrophobicContact CG1-CE1 3.93Å; V134-Y177 HydrophobicContact CG1-CD2 3.93Å; V134-Y177 HydrophobicContact CG1-CE2 4.05Å |
| 135 | H | 96.8 | Very high | 93.9 | Very high | 77 Ų | 77 | 56.1 Ų | 56.1 | 36% | 0.356 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 131.2 | 179.6 | -58.5 | -63.4 | 0 | 0 | 0 | 110.7 | T144 N176 Y177 | H135-T144 PolarHBondContact ND1-OG1 2.83Å; H135-N176 WeakPolarHBondContact CB-OD1 3.11Å; H135-Y177 PolarHBondContact O-N 3.37Å |
| 136 | L | 97.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 142.3 | -176.5 | -51.1 | 173.5 | 0 | 0 | 0 | 109.2 | V134 I138 T142 Y143 T145 L150 F162 Y177 F186 | V134-L136 HydrophobicContact CG1-CD2 3.95Å; L136-I138 HydrophobicContact CB-CD1 3.93Å; L136-I138 HydrophobicContact CB-CG1 4.23Å; L136-I138 HydrophobicContact CD1-CD1 4.48Å; L136-T142 CarbonylContact O-C 3.54Å; L136-T142 VanDerWaalsContact O-CA 3.29Å; L136-T142 WeakPolarHBondContact O-CA 3.15Å; L136-Y143 PolarHBondContact N-O 3.28Å; L136-Y143 PolarHBondContact O-N 3.39Å; L136-T145 HydrophobicContact CD1-CG2 4.09Å; L136-L150 HydrophobicContact CD1-CD1 4.35Å; L136-L150 HydrophobicContact CD1-CD2 4.04Å; L136-L150 HydrophobicContact CD2-CD1 4.3Å; L136-F162 HydrophobicContact CD2-CE1 3.98Å; L136-F162 HydrophobicContact CD2-CE2 4.13Å; L136-F162 HydrophobicContact CD2-CZ 3.35Å; L136-Y177 CarbonylContact C-O 3.51Å; L136-Y177 WeakPolarHBondContact CA-O 3.5Å; L136-Y177 HydrophobicContact CD2-CD2 4.49Å; L136-F186 HydrophobicContact CD1-CE1 3.92Å; L136-F186 HydrophobicContact CD1-CZ 3.89Å |
| 137 | D | 97.9 | Very high | 94.5 | Very high | 16 Ų | 16 | 46.4 Ų | 46.4 | 9% | 0.086 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 107.5 | 166.2 | -171.4 | -27.4 | 0 | 0 | 0 | 107.2 | G140 K174 N176 Y177 F178 I179 | D137-G140 WeakPolarHBondContact OD1-CA 3.48Å; D137-G140 PolarHBondContact OD1-N 2.84Å; D137-K174 IonicContact OD2-NZ 3.92Å; D137-N176 HydrophobicContact CB-CB 4.18Å; D137-Y177 PolarHBondContact N-O 3.02Å; D137-F178 HydrophobicContact CB-CD2 4.15Å; D137-F178 CarbonylContact O-C 3.57Å; D137-F178 WeakPolarHBondContact O-CA 3.22Å; D137-F178 WeakPolarHBondContact O-CD2 3.28Å; D137-I179 PolarHBondContact O-N 2.93Å |
| 138 | I | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 98.2 | -177.6 | -46.5 | -63 | 0 | 0 | 0 | 107.8 | L136 G140 T141 Y143 I179 R181 G183 F186 | L136-I138 HydrophobicContact CB-CD1 3.93Å; L136-I138 HydrophobicContact CB-CG1 4.23Å; L136-I138 HydrophobicContact CD1-CD1 4.48Å; I138-G140 PolarHBondContact O-N 3.16Å; I138-G140 VanDerWaalsContact O-N 3.14Å; I138-T141 PolarHBondContact N-O 3.28Å; I138-T141 PolarHBondContact O-N 3.41Å; I138-Y143 HydrophobicContact CB-CD2 4.3Å; I138-Y143 HydrophobicContact CB-CE2 4.43Å; I138-Y143 HydrophobicContact CG1-CD2 3.79Å; I138-Y143 HydrophobicContact CG1-CE2 4.33Å; I138-I179 WeakPolarHBondContact CA-O 3.48Å; I138-I179 HydrophobicContact CD1-CB 3.71Å; I138-I179 HydrophobicContact CD1-CD1 3.84Å; I138-I179 HydrophobicContact CD1-CG1 4.04Å; I138-I179 HydrophobicContact CD1-CG2 4.48Å; I138-R181 CarbonylContact C-O 3.51Å; I138-R181 HydrophobicContact CG2-CB 4.06Å; I138-G183 VanDerWaalsContact O-CA 3.26Å; I138-G183 WeakPolarHBondContact O-CA 3.33Å; I138-F186 HydrophobicContact CB-CB 4.45Å; I138-F186 HydrophobicContact CB-CG 4.42Å; I138-F186 HydrophobicContact CD1-CD1 4.39Å; I138-F186 HydrophobicContact CD1-CD2 4.47Å; I138-F186 HydrophobicContact CD1-CE1 4.22Å; I138-F186 HydrophobicContact CD1-CE2 4.32Å; I138-F186 HydrophobicContact CD1-CG 4.49Å; I138-F186 HydrophobicContact CD1-CZ 4.18Å; I138-F186 HydrophobicContact CG1-CB 4.47Å; I138-F186 HydrophobicContact CG1-CD1 3.71Å; I138-F186 HydrophobicContact CG1-CD2 4.38Å; I138-F186 HydrophobicContact CG1-CE1 3.93Å; I138-F186 HydrophobicContact CG1-CG 3.93Å; I138-F186 HydrophobicContact CG1-CZ 4.36Å; I138-F186 HydrophobicContact CG2-CB 3.91Å; I138-F186 HydrophobicContact CG2-CD2 4.34Å; I138-F186 HydrophobicContact CG2-CG 4.07Å |
| 139 | G | 97 | Very high | 95.4 | Very high | 43 Ų | 43 | 39 Ų | 39 | 44% | 0.443 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 33.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | I179 R181 | G139-I179 PolarHBondContact N-O 2.93Å; G139-R181 VanDerWaalsContact CA-O 3.27Å; G139-R181 WeakPolarHBondContact CA-O 3.43Å; G139-R181 PolarHBondContact N-O 2.97Å |
| 140 | G | 96.2 | Very high | 96 | Very high | 58 Ų | 58 | 38.2 Ų | 38.2 | 60% | 0.598 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 95.2 | -8.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115 | D137 I138 | D137-G140 WeakPolarHBondContact OD1-CA 3.48Å; D137-G140 PolarHBondContact OD1-N 2.84Å; I138-G140 PolarHBondContact O-N 3.16Å; I138-G140 VanDerWaalsContact O-N 3.14Å |
| 141 | T | 97.9 | Very high | 96.3 | Very high | 54 Ų | 54 | 31.8 Ų | 31.8 | 33% | 0.331 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 124.2 | 175.1 | -53.8 | 0 | 0 | 0 | 0 | 110.5 | I138 Y143 | I138-T141 PolarHBondContact N-O 3.28Å; I138-T141 PolarHBondContact O-N 3.41Å; T141-Y143 HydrophobicContact CG2-CD2 4.23Å; T141-Y143 HydrophobicContact CG2-CE2 3.48Å; T141-Y143 VanDerWaalsContact CG2-CE2 3.48Å |
| 142 | T | 97.5 | Very high | 96.7 | Very high | 96 Ų | 96 | 34.2 Ų | 34.2 | 59% | 0.589 | 21% | 0.214 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -88 | 133.6 | -177.1 | 55.8 | 0 | 0 | 0 | 0 | 112.6 | L136 | L136-T142 CarbonylContact O-C 3.54Å; L136-T142 VanDerWaalsContact O-CA 3.29Å; L136-T142 WeakPolarHBondContact O-CA 3.15Å |
| 143 | Y | 98.4 | Very high | 97 | Very high | 38 Ų | 38 | 36.1 Ų | 36.1 | 15% | 0.149 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 151.4 | 174.7 | -71.4 | -85.7 | 0 | 0 | 0 | 110.7 | L136 I138 T141 G183 F186 R187 L190 | L136-Y143 PolarHBondContact N-O 3.28Å; L136-Y143 PolarHBondContact O-N 3.39Å; I138-Y143 HydrophobicContact CB-CD2 4.3Å; I138-Y143 HydrophobicContact CB-CE2 4.43Å; I138-Y143 HydrophobicContact CG1-CD2 3.79Å; I138-Y143 HydrophobicContact CG1-CE2 4.33Å; T141-Y143 HydrophobicContact CG2-CD2 4.23Å; T141-Y143 HydrophobicContact CG2-CE2 3.48Å; T141-Y143 VanDerWaalsContact CG2-CE2 3.48Å; Y143-G183 VanDerWaalsContact CE2-O 3.24Å; Y143-G183 WeakPolarHBondContact CE2-O 3.42Å; Y143-G183 VanDerWaalsContact CZ-O 3.25Å; Y143-G183 PolarHBondContact OH-O 3.03Å; Y143-F186 HydrophobicContact CD1-CD1 4.25Å; Y143-F186 AromaticContact CD2-CD1 3.57Å; Y143-F186 HydrophobicContact CD2-CD1 3.57Å; Y143-F186 HydrophobicContact CD2-CE1 4.13Å; Y143-F186 HydrophobicContact CE1-CD1 4.38Å; Y143-F186 HydrophobicContact CE2-CB 4.17Å; Y143-F186 AromaticContact CE2-CD1 3.71Å; Y143-F186 HydrophobicContact CE2-CD1 3.71Å; Y143-F186 HydrophobicContact CE2-CG 4.39Å; Y143-F186 AromaticContact CG-CD1 3.85Å; Y143-F186 HydrophobicContact CG-CD1 3.85Å; Y143-F186 HydrophobicContact CG-CE1 4.08Å; Y143-R187 HydrophobicContact CE1-CB 4.3Å; Y143-R187 WeakPolarHBondContact OH-CB 3.29Å; Y143-R187 PolarHBondContact OH-N 3.22Å; Y143-L190 HydrophobicContact CD1-CD2 3.67Å; Y143-L190 HydrophobicContact CE1-CD2 4.4Å; Y143-L190 HydrophobicContact CG-CD2 4.26Å |
| 144 | T | 97.8 | Very high | 97.1 | Very high | 72 Ų | 72 | 38.1 Ų | 38.1 | 44% | 0.442 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 131.9 | 169.6 | -56.5 | 0 | 0 | 0 | 0 | 109.4 | P133 V134 H135 R194 | P133-T144 HydrophobicContact CB-CG2 3.86Å; V134-T144 WeakPolarHBondContact O-CA 3.36Å; H135-T144 PolarHBondContact ND1-OG1 2.83Å; T144-R194 PolarHBondContact O-NH2 3.04Å |
| 145 | T | 97.8 | Very high | 97.2 | Very high | 9 Ų | 9 | 41.6 Ų | 41.6 | 6% | 0.055 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | -162.5 | -179.8 | -166.1 | 0 | 0 | 0 | 0 | 110.2 | P133 V134 L136 T149 L150 L190 | P133-T145 CarbonylContact C-O 3.59Å; P133-T145 WeakPolarHBondContact CA-O 3.47Å; V134-T145 PolarHBondContact N-O 3.43Å; V134-T145 PolarHBondContact O-N 3.17Å; L136-T145 HydrophobicContact CD1-CG2 4.09Å; T145-T149 WeakPolarHBondContact OG1-CB 3.44Å; T145-T149 WeakPolarHBondContact OG1-CG2 3.21Å; T145-T149 PolarHBondContact OG1-OG1 2.99Å; T145-L150 HydrophobicContact CG2-CD1 3.73Å; T145-L150 HydrophobicContact CG2-CD2 3.83Å; T145-L150 HydrophobicContact CG2-CG 3.63Å; T145-L190 HydrophobicContact CG2-CD1 4.12Å |
| 146 | T | 96.7 | Very high | 97.2 | Very high | 28 Ų | 28 | 37.9 Ų | 37.9 | 17% | 0.172 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 159.7 | 176.9 | 63.8 | 0 | 0 | 0 | 0 | 111.2 | Y130 A132 A148 T149 L150 | Y130-T146 WeakPolarHBondContact O-CG2 3.48Å; A132-T146 WeakPolarHBondContact O-CA 3.49Å; T146-A148 VanDerWaalsContact C-N 3.27Å; T146-A148 PolarHBondContact O-N 3.23Å; T146-T149 WeakPolarHBondContact O-CB 3.38Å; T146-T149 PolarHBondContact O-N 3.31Å; T146-T149 VanDerWaalsContact O-N 3.08Å; T146-T149 PolarHBondContact OG1-N 2.81Å; T146-T149 PolarHBondContact OG1-OG1 2.76Å; T146-T149 VanDerWaalsContact OG1-OG1 3.04Å; T146-L150 PolarHBondContact O-N 3.08Å |
| 147 | L | 95.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.7 | -37 | 178.1 | -163.6 | 60 | 0 | 0 | 0 | 111.6 | I69 L73 H129 V134 T149 L150 T151 F162 | I69-L147 HydrophobicContact CB-CD2 4.45Å; I69-L147 HydrophobicContact CD1-CD2 3.83Å; I69-L147 HydrophobicContact CG2-CD1 4.33Å; I69-L147 HydrophobicContact CG2-CD2 3.58Å; L73-L147 HydrophobicContact CD1-CD2 4.15Å; L73-L147 HydrophobicContact CD2-CD2 3.85Å; L73-L147 HydrophobicContact CD2-CG 4.4Å; L73-L147 HydrophobicContact CG-CD2 3.74Å; H129-L147 WeakPolarHBondContact CE1-CG 3.23Å; H129-L147 WeakPolarHBondContact ND1-CD2 3.38Å; H129-L147 VanDerWaalsContact ND1-CG 3.28Å; H129-L147 WeakPolarHBondContact ND1-CG 3.14Å; H129-L147 PolarHBondContact O-N 2.65Å; V134-L147 HydrophobicContact CG2-CB 4.28Å; L147-T149 VanDerWaalsContact C-N 3.26Å; L147-T149 PolarHBondContact O-N 2.97Å; L147-L150 PolarHBondContact O-N 3.47Å; L147-T151 HydrophobicContact CD1-CG2 4.24Å; L147-T151 HydrophobicContact CG-CG2 4.34Å; L147-T151 WeakPolarHBondContact O-CB 3.35Å; L147-T151 WeakPolarHBondContact O-CG2 3.18Å; L147-T151 PolarHBondContact O-N 2.78Å; L147-T151 PolarHBondContact O-OG1 3.43Å; L147-F162 HydrophobicContact CD1-CB 3.71Å; L147-F162 HydrophobicContact CD1-CD1 4.3Å; L147-F162 HydrophobicContact CD1-CG 4.36Å |
| 148 | A | 96.4 | Very high | 97.2 | Very high | 19 Ų | 19 | 39.2 Ų | 39.2 | 16% | 0.157 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.4 | -37.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | H129 Y130 T146 K152 | H129-A148 VanDerWaalsContact CD2-CA 3.45Å; H129-A148 WeakPolarHBondContact CD2-CA 3.36Å; H129-A148 PolarHBondContact CD2-N 3.49Å; H129-A148 VanDerWaalsContact NE2-CA 3.31Å; H129-A148 WeakPolarHBondContact NE2-CA 3.42Å; H129-A148 PolarHBondContact NE2-N 3.28Å; H129-A148 PolarHBondContact O-N 3.22Å; Y130-A148 HydrophobicContact CD1-CB 3.4Å; Y130-A148 HydrophobicContact CE1-CB 3.99Å; Y130-A148 HydrophobicContact CG-CB 4.05Å; T146-A148 VanDerWaalsContact C-N 3.27Å; T146-A148 PolarHBondContact O-N 3.23Å; A148-K152 WeakPolarHBondContact O-CB 3.42Å; A148-K152 PolarHBondContact O-N 2.95Å; A148-K152 VanDerWaalsContact O-N 3.17Å |
| 149 | T | 98 | Very high | 97.2 | Very high | 21 Ų | 21 | 39.4 Ų | 39.4 | 13% | 0.129 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.8 | -44.6 | 178 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | T145 T146 L147 T151 L190 L193 R194 | T145-T149 WeakPolarHBondContact OG1-CB 3.44Å; T145-T149 WeakPolarHBondContact OG1-CG2 3.21Å; T145-T149 PolarHBondContact OG1-OG1 2.99Å; T146-T149 WeakPolarHBondContact O-CB 3.38Å; T146-T149 PolarHBondContact O-N 3.31Å; T146-T149 VanDerWaalsContact O-N 3.08Å; T146-T149 PolarHBondContact OG1-N 2.81Å; T146-T149 PolarHBondContact OG1-OG1 2.76Å; T146-T149 VanDerWaalsContact OG1-OG1 3.04Å; L147-T149 VanDerWaalsContact C-N 3.26Å; L147-T149 PolarHBondContact O-N 2.97Å; T149-T151 VanDerWaalsContact C-N 3.29Å; T149-T151 PolarHBondContact O-N 2.59Å; T149-L190 HydrophobicContact CG2-CD1 3.95Å; T149-L193 HydrophobicContact CG2-CB 3.65Å; T149-R194 HydrophobicContact CG2-CG 3.79Å |
| 150 | L | 97.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.8 | -25.3 | -177.3 | -65.2 | 171.1 | 0 | 0 | 0 | 113.3 | V134 L136 T145 T146 L147 L158 A159 F162 L193 | V134-L150 HydrophobicContact CB-CD1 4.14Å; V134-L150 HydrophobicContact CG1-CD1 3.82Å; L136-L150 HydrophobicContact CD1-CD1 4.35Å; L136-L150 HydrophobicContact CD1-CD2 4.04Å; L136-L150 HydrophobicContact CD2-CD1 4.3Å; T145-L150 HydrophobicContact CG2-CD1 3.73Å; T145-L150 HydrophobicContact CG2-CD2 3.83Å; T145-L150 HydrophobicContact CG2-CG 3.63Å; T146-L150 PolarHBondContact O-N 3.08Å; L147-L150 PolarHBondContact O-N 3.47Å; L150-L158 HydrophobicContact CD2-CD1 4.37Å; L150-L158 HydrophobicContact CD2-CD2 4.4Å; L150-L158 CarbonylContact O-C 3.51Å; L150-A159 PolarHBondContact O-N 3.36Å; L150-F162 HydrophobicContact CB-CB 4.26Å; L150-F162 HydrophobicContact CB-CD2 3.99Å; L150-F162 HydrophobicContact CB-CG 4.18Å; L150-F162 HydrophobicContact CD1-CD1 3.97Å; L150-F162 HydrophobicContact CD1-CD2 3.77Å; L150-F162 HydrophobicContact CD1-CE1 4.05Å; L150-F162 HydrophobicContact CD1-CE2 3.87Å; L150-F162 HydrophobicContact CD1-CG 3.85Å; L150-F162 HydrophobicContact CD1-CZ 4.02Å; L150-F162 HydrophobicContact CD2-CD2 4.44Å; L150-F162 HydrophobicContact CD2-CE2 4.42Å; L150-F162 HydrophobicContact CG-CD2 4.28Å; L150-L193 HydrophobicContact CD2-CD1 4.49Å |
| 151 | T | 96.1 | Very high | 97.1 | Very high | 26 Ų | 26 | 38.1 Ų | 38.1 | 16% | 0.16 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 4.8 | -177.7 | 56.7 | 0 | 0 | 0 | 0 | 113.6 | H129 L147 T149 Y153 F162 | H129-T151 PolarHBondContact CE1-OG1 3.13Å; H129-T151 VanDerWaalsContact CE1-OG1 3.28Å; H129-T151 PolarHBondContact NE2-OG1 3.36Å; L147-T151 HydrophobicContact CD1-CG2 4.24Å; L147-T151 HydrophobicContact CG-CG2 4.34Å; L147-T151 WeakPolarHBondContact O-CB 3.35Å; L147-T151 WeakPolarHBondContact O-CG2 3.18Å; L147-T151 PolarHBondContact O-N 2.78Å; L147-T151 PolarHBondContact O-OG1 3.43Å; T149-T151 VanDerWaalsContact C-N 3.29Å; T149-T151 PolarHBondContact O-N 2.59Å; T151-Y153 VanDerWaalsContact C-N 3.33Å; T151-Y153 PolarHBondContact O-N 3.05Å; T151-F162 HydrophobicContact CG2-CB 4.18Å |
| 152 | K | 97.2 | Very high | 97 | Very high | 101 Ų | 101 | 36 Ų | 36 | 44% | 0.439 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -57.7 | -41.2 | -175.3 | -172.2 | -179.7 | -179 | 177.7 | 0 | 113.6 | A148 L193 R194 | A148-K152 WeakPolarHBondContact O-CB 3.42Å; A148-K152 PolarHBondContact O-N 2.95Å; A148-K152 VanDerWaalsContact O-N 3.17Å; K152-L193 WeakPolarHBondContact CD-O 3.33Å; K152-L193 PolarHBondContact NZ-O 3.15Å; K152-R194 PolarHBondContact NZ-O 3.36Å; K152-R194 VanDerWaalsContact NZ-O 3.15Å |
| 153 | Y | 97.4 | Very high | 96.7 | Very high | 45 Ų | 45 | 33.3 Ų | 33.3 | 18% | 0.176 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -103.4 | 98.5 | 174.8 | -60.4 | -86.3 | 0 | 0 | 0 | 107.9 | T151 D155 S156 A159 Y192 L193 G196 L219 | T151-Y153 VanDerWaalsContact C-N 3.33Å; T151-Y153 PolarHBondContact O-N 3.05Å; Y153-D155 PolarHBondContact O-N 3.43Å; Y153-S156 VanDerWaalsContact O-CB 3.23Å; Y153-S156 WeakPolarHBondContact O-CB 2.97Å; Y153-S156 PolarHBondContact O-N 2.98Å; Y153-S156 PolarHBondContact O-OG 3.5Å; Y153-A159 WeakPolarHBondContact O-CB 3.48Å; Y153-Y192 HydrophobicContact CD2-CE1 4.5Å; Y153-Y192 HydrophobicContact CE1-CE1 4.44Å; Y153-Y192 HydrophobicContact CE2-CD1 4.23Å; Y153-Y192 AromaticContact CE2-CE1 3.74Å; Y153-Y192 HydrophobicContact CE2-CE1 3.74Å; Y153-Y192 AromaticContact CZ-CE1 3.7Å; Y153-L193 HydrophobicContact CD2-CD2 3.52Å; Y153-L193 HydrophobicContact CE2-CD2 3.85Å; Y153-G196 WeakPolarHBondContact OH-CA 3.22Å; Y153-L219 HydrophobicContact CD2-CD2 4.15Å; Y153-L219 HydrophobicContact CG-CD2 4.37Å |
| 154 | S | 96.3 | Very high | 96.3 | Very high | 96 Ų | 96 | 34.7 Ų | 34.7 | 67% | 0.671 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -23.9 | -168.5 | 54.5 | 0 | 0 | 0 | 0 | 114.4 | ||
| 155 | D | 96.1 | Very high | 96 | Very high | 73 Ų | 73 | 37.9 Ų | 37.9 | 39% | 0.39 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -7.6 | 177.4 | 70.9 | -34.4 | 0 | 0 | 0 | 113.8 | Y153 K160 K220 | Y153-D155 PolarHBondContact O-N 3.43Å; D155-K160 VanDerWaalsContact O-CE 3.3Å; D155-K160 WeakPolarHBondContact O-CE 3.44Å; D155-K160 PolarHBondContact O-NZ 3.44Å; D155-K220 IonicContact OD2-NZ 2.8Å; D155-K220 PolarHBondContact OD2-NZ 3.19Å |
| 156 | S | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -69.2 | 155.5 | 178.3 | 72.5 | 0 | 0 | 0 | 0 | 112.6 | Y153 L158 A159 K160 Y217 | Y153-S156 VanDerWaalsContact O-CB 3.23Å; Y153-S156 WeakPolarHBondContact O-CB 2.97Å; Y153-S156 PolarHBondContact O-N 2.98Å; Y153-S156 PolarHBondContact O-OG 3.5Å; S156-L158 VanDerWaalsContact C-N 3.3Å; S156-L158 PolarHBondContact O-N 3.07Å; S156-A159 PolarHBondContact O-N 3.17Å; S156-A159 WeakPolarHBondContact OG-CB 3.47Å; S156-A159 PolarHBondContact OG-N 3.44Å; S156-A159 VanDerWaalsContact OG-N 3.12Å; S156-K160 WeakPolarHBondContact O-CG 3.35Å; S156-K160 PolarHBondContact O-N 3.04Å; S156-K160 VanDerWaalsContact O-N 3.17Å; S156-Y217 WeakPolarHBondContact CB-O 3.45Å |
| 157 | H | 98 | Very high | 95.6 | Very high | 44 Ų | 44 | 44.2 Ų | 44.2 | 20% | 0.204 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.7 | -37 | 176.1 | -172.2 | -175.5 | 0 | 0 | 0 | 111.7 | A159 K160 L161 F216 Y217 D218 | H157-A159 VanDerWaalsContact C-N 3.34Å; H157-A159 PolarHBondContact O-N 3.39Å; H157-K160 WeakPolarHBondContact O-CB 3.11Å; H157-K160 PolarHBondContact O-N 3.36Å; H157-L161 WeakPolarHBondContact O-CG 3.43Å; H157-L161 PolarHBondContact O-N 2.94Å; H157-F216 AromaticContact CE1-CZ 3.68Å; H157-F216 AromaticContact ND1-CE1 3.92Å; H157-F216 AromaticContact ND1-CZ 3.86Å; H157-F216 PolarHBondContact ND1-O 2.92Å; H157-Y217 PolarHBondContact N-O 3.08Å; H157-D218 HydrophobicContact CB-CB 4.39Å |
| 158 | L | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 174.4 | -71.8 | 169.1 | 0 | 0 | 0 | 111.7 | L150 S156 K160 L161 F162 I179 F186 V189 L193 Y217 | L150-L158 HydrophobicContact CD2-CD1 4.37Å; L150-L158 HydrophobicContact CD2-CD2 4.4Å; L150-L158 CarbonylContact O-C 3.51Å; S156-L158 VanDerWaalsContact C-N 3.3Å; S156-L158 PolarHBondContact O-N 3.07Å; L158-K160 VanDerWaalsContact C-N 3.29Å; L158-K160 PolarHBondContact O-N 3.23Å; L158-L161 HydrophobicContact CD2-CD1 4.47Å; L158-L161 PolarHBondContact O-N 3.01Å; L158-F162 HydrophobicContact CD2-CD2 4.43Å; L158-F162 HydrophobicContact CD2-CE2 4.09Å; L158-F162 WeakPolarHBondContact O-CB 3.35Å; L158-F162 VanDerWaalsContact O-CD2 3.29Å; L158-F162 WeakPolarHBondContact O-CD2 3.38Å; L158-F162 PolarHBondContact O-N 3.03Å; L158-I179 HydrophobicContact CD2-CD1 3.9Å; L158-F186 HydrophobicContact CD1-CE2 4.11Å; L158-F186 HydrophobicContact CD2-CE2 4.42Å; L158-V189 HydrophobicContact CD1-CG1 4.32Å; L158-L193 HydrophobicContact CD1-CD1 3.6Å; L158-Y217 HydrophobicContact CD1-CD1 3.91Å; L158-Y217 HydrophobicContact CD1-CE1 4.4Å; L158-Y217 HydrophobicContact CD1-CG 4.25Å; L158-Y217 HydrophobicContact CD2-CD1 3.87Å; L158-Y217 HydrophobicContact CD2-CE1 3.9Å; L158-Y217 HydrophobicContact CG-CD1 3.61Å; L158-Y217 HydrophobicContact CG-CE1 4.15Å; L158-Y217 HydrophobicContact CG-CG 4.33Å |
| 159 | A | 97.1 | Very high | 95.4 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 3% | 0.025 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.1 | -40.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L150 Y153 S156 H157 F162 S163 | L150-A159 PolarHBondContact O-N 3.36Å; Y153-A159 WeakPolarHBondContact O-CB 3.48Å; S156-A159 PolarHBondContact O-N 3.17Å; S156-A159 WeakPolarHBondContact OG-CB 3.47Å; S156-A159 PolarHBondContact OG-N 3.44Å; S156-A159 VanDerWaalsContact OG-N 3.12Å; H157-A159 VanDerWaalsContact C-N 3.34Å; H157-A159 PolarHBondContact O-N 3.39Å; A159-F162 PolarHBondContact O-N 3.5Å; A159-S163 WeakPolarHBondContact O-CB 3.5Å; A159-S163 PolarHBondContact O-N 3.4Å; A159-S163 PolarHBondContact O-OG 3.29Å |
| 160 | K | 96.6 | Very high | 95.2 | Very high | 58 Ų | 58 | 48.2 Ų | 48.2 | 25% | 0.252 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 176.7 | -61.4 | 167.9 | -164.9 | 160.9 | 0 | 112.2 | D155 S156 H157 L158 F162 S163 Q165 T166 D218 | D155-K160 VanDerWaalsContact O-CE 3.3Å; D155-K160 WeakPolarHBondContact O-CE 3.44Å; D155-K160 PolarHBondContact O-NZ 3.44Å; S156-K160 WeakPolarHBondContact O-CG 3.35Å; S156-K160 PolarHBondContact O-N 3.04Å; S156-K160 VanDerWaalsContact O-N 3.17Å; H157-K160 WeakPolarHBondContact O-CB 3.11Å; H157-K160 PolarHBondContact O-N 3.36Å; L158-K160 VanDerWaalsContact C-N 3.29Å; L158-K160 PolarHBondContact O-N 3.23Å; K160-F162 PolarHBondContact O-N 3.06Å; K160-S163 PolarHBondContact O-OG 3.46Å; K160-Q165 HydrophobicContact CB-CB 4.22Å; K160-Q165 PolarHBondContact O-N 2.77Å; K160-T166 PolarHBondContact O-N 3.11Å; K160-D218 IonicContact NZ-OD2 2.95Å; K160-D218 PolarHBondContact NZ-OD2 3.42Å |
| 161 | L | 95.9 | Very high | 94.9 | Very high | 17 Ų | 17 | 50.5 Ų | 50.5 | 9% | 0.089 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 177.2 | -69.1 | 169.1 | 0 | 0 | 0 | 112.1 | H157 L158 T166 S167 V168 I179 | H157-L161 WeakPolarHBondContact O-CG 3.43Å; H157-L161 PolarHBondContact O-N 2.94Å; L158-L161 HydrophobicContact CD2-CD1 4.47Å; L158-L161 PolarHBondContact O-N 3.01Å; L161-T166 HydrophobicContact CD2-CG2 3.81Å; L161-S167 WeakPolarHBondContact CD2-O 3.48Å; L161-V168 HydrophobicContact CB-CB 4.44Å; L161-V168 HydrophobicContact CD2-CB 4.09Å; L161-I179 HydrophobicContact CD1-CD1 4.16Å |
| 162 | F | 94.7 | Very high | 94.5 | Very high | 8 Ų | 8 | 56.6 Ų | 56.6 | 4% | 0.035 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -98 | 0.4 | -171.8 | -71.3 | -74.4 | 0 | 0 | 0 | 114.6 | L73 V134 L136 L147 L150 T151 L158 A159 K160 Y177 I179 | L73-F162 WeakPolarHBondContact CD1-O 3.34Å; V134-F162 HydrophobicContact CG1-CD1 4.39Å; V134-F162 HydrophobicContact CG1-CE1 3.93Å; L136-F162 HydrophobicContact CD2-CE1 3.98Å; L136-F162 HydrophobicContact CD2-CE2 4.13Å; L136-F162 HydrophobicContact CD2-CZ 3.35Å; L147-F162 HydrophobicContact CD1-CB 3.71Å; L147-F162 HydrophobicContact CD1-CD1 4.3Å; L147-F162 HydrophobicContact CD1-CG 4.36Å; L150-F162 HydrophobicContact CB-CB 4.26Å; L150-F162 HydrophobicContact CB-CD2 3.99Å; L150-F162 HydrophobicContact CB-CG 4.18Å; L150-F162 HydrophobicContact CD1-CD1 3.97Å; L150-F162 HydrophobicContact CD1-CD2 3.77Å; L150-F162 HydrophobicContact CD1-CE1 4.05Å; L150-F162 HydrophobicContact CD1-CE2 3.87Å; L150-F162 HydrophobicContact CD1-CG 3.85Å; L150-F162 HydrophobicContact CD1-CZ 4.02Å; L150-F162 HydrophobicContact CD2-CD2 4.44Å; L150-F162 HydrophobicContact CD2-CE2 4.42Å; L150-F162 HydrophobicContact CG-CD2 4.28Å; T151-F162 HydrophobicContact CG2-CB 4.18Å; L158-F162 HydrophobicContact CD2-CD2 4.43Å; L158-F162 HydrophobicContact CD2-CE2 4.09Å; L158-F162 WeakPolarHBondContact O-CB 3.35Å; L158-F162 VanDerWaalsContact O-CD2 3.29Å; L158-F162 WeakPolarHBondContact O-CD2 3.38Å; L158-F162 PolarHBondContact O-N 3.03Å; A159-F162 PolarHBondContact O-N 3.5Å; K160-F162 PolarHBondContact O-N 3.06Å; F162-Y177 HydrophobicContact CE1-CD1 4.37Å; F162-Y177 AromaticContact CE1-CD2 3.69Å; F162-Y177 HydrophobicContact CE1-CD2 3.69Å; F162-Y177 HydrophobicContact CE1-CE2 4.07Å; F162-Y177 AromaticContact CE1-CG 3.82Å; F162-Y177 HydrophobicContact CE1-CG 3.82Å; F162-Y177 HydrophobicContact CZ-CD2 4.36Å; F162-Y177 HydrophobicContact CZ-CG 4.22Å; F162-I179 HydrophobicContact CE2-CD1 4.37Å |
| 163 | S | 91.5 | Very high | 94 | Very high | 41 Ų | 41 | 59.4 Ų | 59.4 | 29% | 0.287 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -0 | 167.2 | 61.3 | 0 | 0 | 0 | 0 | 113.1 | A159 K160 Q165 | A159-S163 WeakPolarHBondContact O-CB 3.5Å; A159-S163 PolarHBondContact O-N 3.4Å; A159-S163 PolarHBondContact O-OG 3.29Å; K160-S163 PolarHBondContact O-OG 3.46Å; S163-Q165 WeakPolarHBondContact OG-CG 3.34Å; S163-Q165 PolarHBondContact OG-NE2 3.42Å |
| 164 | G | 89.9 | Confident | 93.6 | Very high | 66 Ų | 66 | 63.4 Ų | 63.4 | 68% | 0.68 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.1 | 7.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 165 | Q | 92.2 | Very high | 93.2 | Very high | 139 Ų | 139 | 61.3 Ų | 61.3 | 65% | 0.65 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -73.5 | -30.5 | 175.5 | -63.3 | 176.2 | 18 | 0 | 0 | 112.2 | K160 S163 | K160-Q165 HydrophobicContact CB-CB 4.22Å; K160-Q165 PolarHBondContact O-N 2.77Å; S163-Q165 WeakPolarHBondContact OG-CG 3.34Å; S163-Q165 PolarHBondContact OG-NE2 3.42Å |
| 166 | T | 92.1 | Very high | 93 | Very high | 56 Ų | 56 | 58.7 Ų | 58.7 | 34% | 0.344 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -128.9 | 141.9 | 177.4 | -54.5 | 0 | 0 | 0 | 0 | 109.7 | K160 L161 | K160-T166 PolarHBondContact O-N 3.11Å; L161-T166 HydrophobicContact CD2-CG2 3.81Å |
| 167 | S | 92.6 | Very high | 93 | Very high | 114 Ų | 114 | 59.1 Ų | 59.1 | 80% | 0.797 | 32% | 0.321 | S | S | * | . | trans | -68 | 140.1 | 175.1 | 58.2 | 0 | 0 | 0 | 0 | 111.9 | L161 | L161-S167 WeakPolarHBondContact CD2-O 3.48Š| ||
| 168 | V | 93.7 | Very high | 92.9 | Very high | 38 Ų | 38 | 59.9 Ų | 59.9 | 23% | 0.23 | 32% | 0.324 | C | S | . | . | trans | -120.5 | 142.3 | 172.6 | 58 | 0 | 0 | 0 | 0 | 109.7 | L161 Y177 | L161-V168 HydrophobicContact CB-CB 4.44Å; L161-V168 HydrophobicContact CD2-CB 4.09Å; V168-Y177 HydrophobicContact CB-CD1 4.29Å; V168-Y177 HydrophobicContact CG1-CD1 3.41Å; V168-Y177 VanDerWaalsContact CG1-CD1 3.41Å; V168-Y177 HydrophobicContact CG1-CE1 3.68Å; V168-Y177 HydrophobicContact CG1-CG 4.36Å; V168-Y177 HydrophobicContact CG2-CD1 3.94Å; V168-Y177 HydrophobicContact CG2-CG 4.32Å | ||
| 169 | V | 93.9 | Very high | 92.9 | Very high | 68 Ų | 68 | 60.4 Ų | 60.4 | 41% | 0.412 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 134.8 | 178 | 178 | 0 | 0 | 0 | 0 | 109.2 | W10 Y177 F178 | W10-V169 HydrophobicContact CH2-CG1 4.06Å; V169-Y177 CarbonylContact O-C 3.55Å; V169-Y177 VanDerWaalsContact O-CA 3.3Å; V169-Y177 WeakPolarHBondContact O-CA 3.45Å; V169-F178 HydrophobicContact CB-CB 4.21Å; V169-F178 HydrophobicContact CB-CD1 4.44Å; V169-F178 HydrophobicContact CG1-CB 4.13Å; V169-F178 HydrophobicContact CG1-CD1 4.38Å; V169-F178 PolarHBondContact O-N 3.44Å |
| 170 | L | 93.8 | Very high | 92.9 | Very high | 20 Ų | 20 | 66.6 Ų | 66.6 | 11% | 0.105 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 120.2 | 176 | 180 | 64.6 | 0 | 0 | 0 | 109.6 | Y172 Y177 | L170-Y172 HydrophobicContact CD2-CD1 4.15Å; L170-Y172 HydrophobicContact CD2-CE1 3.95Å; L170-Y172 PolarHBondContact O-N 3.45Å; L170-Y172 VanDerWaalsContact O-N 3.12Å; L170-Y177 HydrophobicContact CB-CD1 4.38Å; L170-Y177 HydrophobicContact CB-CE1 4.49Å; L170-Y177 HydrophobicContact CD1-CD1 3.98Å; L170-Y177 HydrophobicContact CD1-CE1 3.98Å; L170-Y177 HydrophobicContact CD1-CG 4.34Å |
| 171 | D | 91.2 | Very high | 93 | Very high | 48 Ų | 48 | 67.2 Ų | 67.2 | 26% | 0.257 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 103.3 | 165.3 | -178.7 | -23 | 0 | 0 | 0 | 108 | L173 K174 Q175 N176 | D171-L173 PolarHBondContact O-N 3.27Å; D171-L173 WeakPolarHBondContact OD1-CA 3.4Å; D171-L173 WeakPolarHBondContact OD1-CB 3.38Å; D171-L173 PolarHBondContact OD1-N 3.46Å; D171-K174 HydrophobicContact CB-CB 4.33Å; D171-K174 PolarHBondContact O-N 3.46Å; D171-K174 PolarHBondContact OD1-N 3Å; D171-K174 VanDerWaalsContact OD2-CD 3.32Å; D171-K174 WeakPolarHBondContact OD2-CD 3.48Å; D171-K174 WeakPolarHBondContact OD2-CG 3.29Å; D171-Q175 VanDerWaalsContact O-CA 3.28Å; D171-Q175 WeakPolarHBondContact O-CA 3.47Å; D171-Q175 PolarHBondContact O-N 3.49Å; D171-N176 PolarHBondContact N-O 2.98Å |
| 172 | Y | 87.8 | Confident | 93.1 | Very high | 154 Ų | 154 | 69.1 Ų | 69.1 | 60% | 0.604 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -27.4 | -178.5 | -70.5 | -77.6 | 0 | 0 | 0 | 113.1 | K62 L170 Q175 | K62-Y172 PolarHBondContact NZ-O 3.1Å; L170-Y172 HydrophobicContact CD2-CD1 4.15Å; L170-Y172 HydrophobicContact CD2-CE1 3.95Å; L170-Y172 PolarHBondContact O-N 3.45Å; L170-Y172 VanDerWaalsContact O-N 3.12Å; Y172-Q175 PolarHBondContact O-NE2 3.15Å |
| 173 | L | 88.3 | Confident | 93.3 | Very high | 160 Ų | 160 | 69 Ų | 69 | 84% | 0.838 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -49.8 | 179.5 | -63.9 | 175.8 | 0 | 0 | 0 | 110.3 | D171 | D171-L173 PolarHBondContact O-N 3.27Å; D171-L173 WeakPolarHBondContact OD1-CA 3.4Å; D171-L173 WeakPolarHBondContact OD1-CB 3.38Å; D171-L173 PolarHBondContact OD1-N 3.46Å |
| 174 | K | 87.7 | Confident | 93.6 | Very high | 128 Ų | 128 | 71 Ų | 71 | 56% | 0.557 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -19.1 | -177.4 | -63.5 | -178 | -170.6 | 168.5 | 0 | 114.6 | D137 D171 N176 | D137-K174 IonicContact OD2-NZ 3.92Å; D171-K174 HydrophobicContact CB-CB 4.33Å; D171-K174 PolarHBondContact O-N 3.46Å; D171-K174 PolarHBondContact OD1-N 3Å; D171-K174 VanDerWaalsContact OD2-CD 3.32Å; D171-K174 WeakPolarHBondContact OD2-CD 3.48Å; D171-K174 WeakPolarHBondContact OD2-CG 3.29Å; K174-N176 VanDerWaalsContact C-N 3.26Å; K174-N176 HydrophobicContact CB-CB 4.38Å; K174-N176 PolarHBondContact O-OD1 3.41Å |
| 175 | Q | 88 | Confident | 94 | Very high | 52 Ų | 52 | 67.9 Ų | 67.9 | 24% | 0.243 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 34.1 | -169 | -61.9 | -65.1 | -80.9 | 0 | 0 | 113.5 | K62 D171 Y172 | K62-Q175 VanDerWaalsContact CD-NE2 3.25Å; D171-Q175 VanDerWaalsContact O-CA 3.28Å; D171-Q175 WeakPolarHBondContact O-CA 3.47Å; D171-Q175 PolarHBondContact O-N 3.49Å; Y172-Q175 PolarHBondContact O-NE2 3.15Å |
| 176 | N | 93 | Very high | 94.3 | Very high | 19 Ų | 19 | 61.3 Ų | 61.3 | 10% | 0.102 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 137.9 | 174.8 | -67.1 | 2.1 | 0 | 0 | 0 | 109.9 | H135 D137 D171 K174 | H135-N176 WeakPolarHBondContact CB-OD1 3.11Å; D137-N176 HydrophobicContact CB-CB 4.18Å; D171-N176 PolarHBondContact N-O 2.98Å; K174-N176 VanDerWaalsContact C-N 3.26Å; K174-N176 HydrophobicContact CB-CB 4.38Å; K174-N176 PolarHBondContact O-OD1 3.41Å |
| 177 | Y | 96.7 | Very high | 94.6 | Very high | 9 Ų | 9 | 63.9 Ų | 63.9 | 4% | 0.035 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 131.9 | 166.8 | -64.1 | -79.7 | 0 | 0 | 0 | 109.8 | F65 N66 V134 H135 L136 D137 F162 V168 V169 L170 | F65-Y177 HydrophobicContact CD1-CE2 4.36Å; F65-Y177 VanDerWaalsContact CD1-OH 3.28Å; F65-Y177 WeakPolarHBondContact CD1-OH 3.4Å; F65-Y177 AromaticContact CE1-CE2 3.71Å; F65-Y177 HydrophobicContact CE1-CE2 3.71Å; F65-Y177 AromaticContact CE1-CZ 3.92Å; F65-Y177 VanDerWaalsContact CE1-OH 3.22Å; F65-Y177 WeakPolarHBondContact CE1-OH 3.49Å; N66-Y177 PolarHBondContact OD1-OH 3.35Å; V134-Y177 HydrophobicContact CG1-CD2 3.93Å; V134-Y177 HydrophobicContact CG1-CE2 4.05Å; H135-Y177 PolarHBondContact O-N 3.37Å; L136-Y177 CarbonylContact C-O 3.51Å; L136-Y177 WeakPolarHBondContact CA-O 3.5Å; L136-Y177 HydrophobicContact CD2-CD2 4.49Å; D137-Y177 PolarHBondContact N-O 3.02Å; F162-Y177 HydrophobicContact CE1-CD1 4.37Å; F162-Y177 AromaticContact CE1-CD2 3.69Å; F162-Y177 HydrophobicContact CE1-CD2 3.69Å; F162-Y177 HydrophobicContact CE1-CE2 4.07Å; F162-Y177 AromaticContact CE1-CG 3.82Å; F162-Y177 HydrophobicContact CE1-CG 3.82Å; F162-Y177 HydrophobicContact CZ-CD2 4.36Å; F162-Y177 HydrophobicContact CZ-CG 4.22Å; V168-Y177 HydrophobicContact CB-CD1 4.29Å; V168-Y177 HydrophobicContact CG1-CD1 3.41Å; V168-Y177 VanDerWaalsContact CG1-CD1 3.41Å; V168-Y177 HydrophobicContact CG1-CE1 3.68Å; V168-Y177 HydrophobicContact CG1-CG 4.36Å; V168-Y177 HydrophobicContact CG2-CD1 3.94Å; V168-Y177 HydrophobicContact CG2-CG 4.32Å; V169-Y177 CarbonylContact O-C 3.55Å; V169-Y177 VanDerWaalsContact O-CA 3.3Å; V169-Y177 WeakPolarHBondContact O-CA 3.45Å; L170-Y177 HydrophobicContact CB-CD1 4.38Å; L170-Y177 HydrophobicContact CB-CE1 4.49Å; L170-Y177 HydrophobicContact CD1-CD1 3.98Å; L170-Y177 HydrophobicContact CD1-CE1 3.98Å; L170-Y177 HydrophobicContact CD1-CG 4.34Å |
| 178 | F | 96.7 | Very high | 94.9 | Very high | 60 Ų | 60 | 58.7 Ų | 58.7 | 26% | 0.263 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 133.5 | -178.8 | 176.8 | -108.4 | 0 | 0 | 0 | 111.2 | D137 V169 D180 | D137-F178 HydrophobicContact CB-CD2 4.15Å; D137-F178 CarbonylContact O-C 3.57Å; D137-F178 WeakPolarHBondContact O-CA 3.22Å; D137-F178 WeakPolarHBondContact O-CD2 3.28Å; V169-F178 HydrophobicContact CB-CB 4.21Å; V169-F178 HydrophobicContact CB-CD1 4.44Å; V169-F178 HydrophobicContact CG1-CB 4.13Å; V169-F178 HydrophobicContact CG1-CD1 4.38Å; V169-F178 PolarHBondContact O-N 3.44Å; F178-D180 HydrophobicContact CE1-CB 3.72Å; F178-D180 HydrophobicContact CZ-CB 3.76Å |
| 179 | I | 97.6 | Very high | 95.1 | Very high | 11 Ų | 11 | 56.9 Ų | 56.9 | 6% | 0.056 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 121.5 | 171.8 | -59 | 178.3 | 0 | 0 | 0 | 107.3 | D137 I138 G139 L158 L161 F162 R181 F216 Y217 | D137-I179 PolarHBondContact O-N 2.93Å; I138-I179 WeakPolarHBondContact CA-O 3.48Å; I138-I179 HydrophobicContact CD1-CB 3.71Å; I138-I179 HydrophobicContact CD1-CD1 3.84Å; I138-I179 HydrophobicContact CD1-CG1 4.04Å; I138-I179 HydrophobicContact CD1-CG2 4.48Å; G139-I179 PolarHBondContact N-O 2.93Å; L158-I179 HydrophobicContact CD2-CD1 3.9Å; L161-I179 HydrophobicContact CD1-CD1 4.16Å; F162-I179 HydrophobicContact CE2-CD1 4.37Å; I179-R181 VanDerWaalsContact C-N 3.29Å; I179-R181 HydrophobicContact CG2-CB 4.06Å; I179-R181 HydrophobicContact CG2-CG 3.61Å; I179-R181 PolarHBondContact O-N 3.36Å; I179-F216 HydrophobicContact CG2-CE1 4.27Å; I179-Y217 HydrophobicContact CG2-CE1 4.42Å |
| 180 | D | 97.6 | Very high | 95.4 | Very high | 132 Ų | 132 | 53.7 Ų | 53.7 | 71% | 0.706 | 26% | 0.255 | S | S | * | . | trans | -81.6 | 73.1 | -177.8 | -167.7 | 21 | 0 | 0 | 0 | 111.2 | F178 | F178-D180 HydrophobicContact CE1-CB 3.72Å; F178-D180 HydrophobicContact CZ-CB 3.76Å | ||
| 181 | R | 98.5 | Very high | 95.6 | Very high | 71 Ų | 71 | 55 Ų | 55 | 27% | 0.268 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -141.8 | 173.5 | -177 | -67.4 | -57.6 | -62.4 | -178.7 | -1.5 | 111.5 | I138 G139 I179 G183 E213 F216 Y217 | I138-R181 CarbonylContact C-O 3.51Å; I138-R181 HydrophobicContact CG2-CB 4.06Å; G139-R181 VanDerWaalsContact CA-O 3.27Å; G139-R181 WeakPolarHBondContact CA-O 3.43Å; G139-R181 PolarHBondContact N-O 2.97Å; I179-R181 VanDerWaalsContact C-N 3.29Å; I179-R181 HydrophobicContact CG2-CB 4.06Å; I179-R181 HydrophobicContact CG2-CG 3.61Å; I179-R181 PolarHBondContact O-N 3.36Å; R181-G183 PolarHBondContact O-N 2.65Å; R181-G183 VanDerWaalsContact O-N 3.12Å; R181-E213 IonicContact CZ-OE1 3.74Å; R181-E213 IonicContact CZ-OE2 2.69Å; R181-E213 IonicContact NE-OE1 3.34Å; R181-E213 PolarHBondContact NE-OE1 2.88Å; R181-E213 IonicContact NE-OE2 3.03Å; R181-E213 PolarHBondContact NE-OE2 2.76Å; R181-E213 IonicContact NH2-OE1 3.57Å; R181-E213 PolarHBondContact NH2-OE1 3.4Å; R181-E213 IonicContact NH2-OE2 2.73Å; R181-F216 HydrophobicContact CG-CD1 3.74Å; R181-F216 HydrophobicContact CG-CE1 3.43Å; R181-F216 VanDerWaalsContact CG-CE1 3.43Å; R181-F216 HydrophobicContact CG-CE2 4.38Å; R181-F216 HydrophobicContact CG-CG 4.36Å; R181-F216 HydrophobicContact CG-CZ 3.78Å; R181-Y217 VanDerWaalsContact CB-OH 3.29Å; R181-Y217 WeakPolarHBondContact CB-OH 3.39Å |
| 182 | D | 98.4 | Very high | 96 | Very high | 58 Ų | 58 | 53 Ų | 53 | 31% | 0.31 | 25% | 0.251 | S | S | . | . | trans | -67.9 | 109.4 | 178.9 | -171.2 | -42 | 0 | 0 | 0 | 111.3 | T184 M185 F186 | D182-T184 VanDerWaalsContact C-N 3.32Å; D182-T184 PolarHBondContact O-N 3.22Å; D182-T184 WeakPolarHBondContact OD1-CA 3.39Å; D182-T184 VanDerWaalsContact OD1-CB 3.29Å; D182-T184 WeakPolarHBondContact OD1-CB 3.46Å; D182-T184 PolarHBondContact OD1-N 3.23Å; D182-M185 HydrophobicContact CB-CB 4.16Å; D182-M185 HydrophobicContact CB-CG 4.34Å; D182-M185 PolarHBondContact OD1-N 3.47Å; D182-F186 WeakPolarHBondContact O-CB 3.02Å; D182-F186 PolarHBondContact O-N 3.17Å; D182-F186 VanDerWaalsContact O-N 3.1Å | ||
| 183 | G | 98.3 | Very high | 96.5 | Very high | 5 Ų | 5 | 45.7 Ų | 45.7 | 5% | 0.052 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.7 | -30.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | I138 Y143 R181 | I138-G183 VanDerWaalsContact O-CA 3.26Å; I138-G183 WeakPolarHBondContact O-CA 3.33Å; Y143-G183 VanDerWaalsContact CE2-O 3.24Å; Y143-G183 WeakPolarHBondContact CE2-O 3.42Å; Y143-G183 VanDerWaalsContact CZ-O 3.25Å; Y143-G183 PolarHBondContact OH-O 3.03Å; R181-G183 PolarHBondContact O-N 2.65Å; R181-G183 VanDerWaalsContact O-N 3.12Å |
| 184 | T | 97.9 | Very high | 97 | Very high | 83 Ų | 83 | 43.4 Ų | 43.4 | 51% | 0.509 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -72.3 | -46.6 | -179.8 | -53.6 | 0 | 0 | 0 | 0 | 110.7 | D182 F186 R187 | D182-T184 VanDerWaalsContact C-N 3.32Å; D182-T184 PolarHBondContact O-N 3.22Å; D182-T184 WeakPolarHBondContact OD1-CA 3.39Å; D182-T184 VanDerWaalsContact OD1-CB 3.29Å; D182-T184 WeakPolarHBondContact OD1-CB 3.46Å; D182-T184 PolarHBondContact OD1-N 3.23Å; T184-F186 VanDerWaalsContact C-N 3.31Å; T184-F186 PolarHBondContact O-N 3.4Å; T184-R187 WeakPolarHBondContact O-CB 3.38Å; T184-R187 PolarHBondContact O-N 3.21Å |
| 185 | M | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.4 | -32.4 | 177.9 | -70.8 | -58.7 | 103.5 | 0 | 0 | 112.3 | D182 R187 H188 V189 F204 E206 L209 L210 E213 | D182-M185 HydrophobicContact CB-CB 4.16Å; D182-M185 HydrophobicContact CB-CG 4.34Å; D182-M185 PolarHBondContact OD1-N 3.47Å; M185-R187 PolarHBondContact O-N 3.07Å; M185-R187 VanDerWaalsContact O-N 3.09Å; M185-H188 WeakPolarHBondContact O-CB 3.49Å; M185-H188 PolarHBondContact O-N 2.95Å; M185-V189 PolarHBondContact O-N 2.73Å; M185-F204 HydrophobicContact CE-CE2 4.42Å; M185-F204 HydrophobicContact CE-CZ 4.34Å; M185-F204 HydrophobicContact SD-CZ 4.13Å; M185-E206 HydrophobicContact CE-CB 4.02Å; M185-E206 WeakPolarHBondContact CE-OE2 3.48Å; M185-E206 HydrophobicContact SD-CB 4.22Å; M185-L209 HydrophobicContact CG-CB 3.92Å; M185-L209 HydrophobicContact SD-CB 3.88Å; M185-L210 HydrophobicContact SD-CB 4.07Å; M185-E213 HydrophobicContact CB-CB 4.38Å; M185-E213 HydrophobicContact CB-CG 3.46Å; M185-E213 VanDerWaalsContact CB-CG 3.46Å; M185-E213 HydrophobicContact CG-CG 4.23Å |
| 186 | F | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.9 | -27.7 | 178.2 | -171.2 | -102.7 | 0 | 0 | 0 | 113.7 | L136 I138 Y143 L158 D182 T184 H188 V189 L190 Y217 | L136-F186 HydrophobicContact CD1-CE1 3.92Å; L136-F186 HydrophobicContact CD1-CZ 3.89Å; I138-F186 HydrophobicContact CB-CB 4.45Å; I138-F186 HydrophobicContact CB-CG 4.42Å; I138-F186 HydrophobicContact CD1-CD1 4.39Å; I138-F186 HydrophobicContact CD1-CD2 4.47Å; I138-F186 HydrophobicContact CD1-CE1 4.22Å; I138-F186 HydrophobicContact CD1-CE2 4.32Å; I138-F186 HydrophobicContact CD1-CG 4.49Å; I138-F186 HydrophobicContact CD1-CZ 4.18Å; I138-F186 HydrophobicContact CG1-CB 4.47Å; I138-F186 HydrophobicContact CG1-CD1 3.71Å; I138-F186 HydrophobicContact CG1-CD2 4.38Å; I138-F186 HydrophobicContact CG1-CE1 3.93Å; I138-F186 HydrophobicContact CG1-CG 3.93Å; I138-F186 HydrophobicContact CG1-CZ 4.36Å; I138-F186 HydrophobicContact CG2-CB 3.91Å; I138-F186 HydrophobicContact CG2-CD2 4.34Å; I138-F186 HydrophobicContact CG2-CG 4.07Å; Y143-F186 HydrophobicContact CD1-CD1 4.25Å; Y143-F186 AromaticContact CD2-CD1 3.57Å; Y143-F186 HydrophobicContact CD2-CD1 3.57Å; Y143-F186 HydrophobicContact CD2-CE1 4.13Å; Y143-F186 HydrophobicContact CE1-CD1 4.38Å; Y143-F186 HydrophobicContact CE2-CB 4.17Å; Y143-F186 AromaticContact CE2-CD1 3.71Å; Y143-F186 HydrophobicContact CE2-CD1 3.71Å; Y143-F186 HydrophobicContact CE2-CG 4.39Å; Y143-F186 AromaticContact CG-CD1 3.85Å; Y143-F186 HydrophobicContact CG-CD1 3.85Å; Y143-F186 HydrophobicContact CG-CE1 4.08Å; L158-F186 HydrophobicContact CD1-CE2 4.11Å; L158-F186 HydrophobicContact CD2-CE2 4.42Å; D182-F186 WeakPolarHBondContact O-CB 3.02Å; D182-F186 PolarHBondContact O-N 3.17Å; D182-F186 VanDerWaalsContact O-N 3.1Å; T184-F186 VanDerWaalsContact C-N 3.31Å; T184-F186 PolarHBondContact O-N 3.4Å; F186-H188 PolarHBondContact O-N 3.28Å; F186-V189 HydrophobicContact CD2-CB 4.24Å; F186-V189 HydrophobicContact CD2-CG1 4.22Å; F186-V189 HydrophobicContact CE2-CG1 4.18Å; F186-V189 WeakPolarHBondContact O-CB 3.37Å; F186-V189 PolarHBondContact O-N 3.18Å; F186-L190 HydrophobicContact CD1-CB 4.26Å; F186-L190 HydrophobicContact CE1-CB 4.04Å; F186-L190 HydrophobicContact CE1-CD1 4.49Å; F186-L190 HydrophobicContact CE1-CD2 4.16Å; F186-L190 HydrophobicContact CE1-CG 4.47Å; F186-L190 WeakPolarHBondContact O-CB 3.49Å; F186-L190 PolarHBondContact O-N 3.36Å; F186-Y217 HydrophobicContact CD2-CE1 4.33Å; F186-Y217 AromaticContact CD2-CE2 3.79Å; F186-Y217 HydrophobicContact CD2-CE2 3.79Å; F186-Y217 AromaticContact CD2-CZ 3.58Å; F186-Y217 WeakPolarHBondContact CD2-OH 3.45Å; F186-Y217 HydrophobicContact CE2-CE1 4.11Å; F186-Y217 HydrophobicContact CE2-CE2 4.25Å; F186-Y217 AromaticContact CE2-CZ 3.82Å |
| 187 | R | 98.4 | Very high | 98.1 | Very high | 110 Ų | 110 | 44 Ų | 44 | 42% | 0.415 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -52.3 | -43 | 173.2 | -176.7 | 179.1 | 62.3 | 108.9 | -7.1 | 112.1 | Y143 T184 M185 N191 | Y143-R187 HydrophobicContact CE1-CB 4.3Å; Y143-R187 WeakPolarHBondContact OH-CB 3.29Å; Y143-R187 PolarHBondContact OH-N 3.22Å; T184-R187 WeakPolarHBondContact O-CB 3.38Å; T184-R187 PolarHBondContact O-N 3.21Å; M185-R187 PolarHBondContact O-N 3.07Å; M185-R187 VanDerWaalsContact O-N 3.09Å; R187-N191 WeakPolarHBondContact O-CB 3.49Å; R187-N191 VanDerWaalsContact O-CG 3.26Å; R187-N191 PolarHBondContact O-N 3.02Å; R187-N191 PolarHBondContact O-ND2 2.56Å |
| 188 | H | 98.6 | Very high | 98.2 | Very high | 6 Ų | 6 | 45.4 Ų | 45.4 | 3% | 0.028 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -73.8 | -41.3 | -178.3 | -63.1 | -69.8 | 0 | 0 | 0 | 111.6 | M185 F186 N191 Y192 L200 F204 L210 | M185-H188 WeakPolarHBondContact O-CB 3.49Å; M185-H188 PolarHBondContact O-N 2.95Å; F186-H188 PolarHBondContact O-N 3.28Å; H188-N191 PolarHBondContact O-N 3.02Å; H188-Y192 WeakPolarHBondContact O-CB 3.35Å; H188-Y192 PolarHBondContact O-N 2.76Å; H188-L200 HydrophobicContact CB-CD2 4.18Å; H188-L200 WeakPolarHBondContact ND1-CD2 3.4Å; H188-F204 AromaticContact CD2-CE2 3.96Å; H188-F204 AromaticContact CE1-CE2 3.81Å; H188-F204 AromaticContact NE2-CE2 3.33Å; H188-F204 VanDerWaalsContact NE2-CE2 3.33Å; H188-F204 WeakPolarHBondContact NE2-CE2 3.38Å; H188-F204 AromaticContact NE2-CZ 3.97Å; H188-L210 HydrophobicContact CB-CD1 3.52Å; H188-L210 HydrophobicContact CB-CD2 4.19Å |
| 189 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.1 | -50.9 | 171.5 | 171.6 | 0 | 0 | 0 | 0 | 110.3 | L158 M185 F186 N191 Y192 L193 L210 E213 Y217 L219 M222 | L158-V189 HydrophobicContact CD1-CG1 4.32Å; M185-V189 PolarHBondContact O-N 2.73Å; F186-V189 HydrophobicContact CD2-CB 4.24Å; F186-V189 HydrophobicContact CD2-CG1 4.22Å; F186-V189 HydrophobicContact CE2-CG1 4.18Å; F186-V189 WeakPolarHBondContact O-CB 3.37Å; F186-V189 PolarHBondContact O-N 3.18Å; V189-N191 VanDerWaalsContact C-N 3.34Å; V189-N191 PolarHBondContact O-N 3.44Å; V189-Y192 WeakPolarHBondContact O-CB 3.28Å; V189-Y192 PolarHBondContact O-N 3.32Å; V189-Y192 VanDerWaalsContact O-N 3.17Å; V189-L193 WeakPolarHBondContact O-CG 3.3Å; V189-L193 PolarHBondContact O-N 2.92Å; V189-L210 HydrophobicContact CG2-CD1 4.44Å; V189-E213 HydrophobicContact CG2-CB 3.99Å; V189-Y217 HydrophobicContact CB-CD2 4.36Å; V189-Y217 HydrophobicContact CG1-CD2 3.75Å; V189-Y217 HydrophobicContact CG1-CE2 4.23Å; V189-Y217 HydrophobicContact CG1-CG 4.24Å; V189-Y217 HydrophobicContact CG2-CD2 3.87Å; V189-Y217 HydrophobicContact CG2-CE2 4.13Å; V189-L219 HydrophobicContact CG1-CD1 3.69Å; V189-M222 HydrophobicContact CG2-CE 4.21Å; V189-M222 HydrophobicContact CG2-SD 4.47Å |
| 190 | L | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.3 | -39.5 | -179 | -176.7 | 58.9 | 0 | 0 | 0 | 112.5 | Y143 T145 T149 F186 L193 R194 | Y143-L190 HydrophobicContact CD1-CD2 3.67Å; Y143-L190 HydrophobicContact CE1-CD2 4.4Å; Y143-L190 HydrophobicContact CG-CD2 4.26Å; T145-L190 HydrophobicContact CG2-CD1 4.12Å; T149-L190 HydrophobicContact CG2-CD1 3.95Å; F186-L190 HydrophobicContact CD1-CB 4.26Å; F186-L190 HydrophobicContact CE1-CB 4.04Å; F186-L190 HydrophobicContact CE1-CD1 4.49Å; F186-L190 HydrophobicContact CE1-CD2 4.16Å; F186-L190 HydrophobicContact CE1-CG 4.47Å; F186-L190 WeakPolarHBondContact O-CB 3.49Å; F186-L190 PolarHBondContact O-N 3.36Å; L190-L193 HydrophobicContact CD1-CD1 4.49Å; L190-L193 WeakPolarHBondContact O-CB 3.23Å; L190-L193 PolarHBondContact O-N 3.34Å; L190-R194 WeakPolarHBondContact O-CG 3.4Å; L190-R194 PolarHBondContact O-N 2.94Å; L190-R194 VanDerWaalsContact O-N 3.07Å |
| 191 | N | 98.6 | Very high | 98 | Very high | 46 Ų | 46 | 44 Ų | 44 | 25% | 0.246 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.3 | -39.8 | 175 | -75.1 | -18.4 | 0 | 0 | 0 | 111.9 | R187 H188 V189 L193 R194 T195 | R187-N191 WeakPolarHBondContact O-CB 3.49Å; R187-N191 VanDerWaalsContact O-CG 3.26Å; R187-N191 PolarHBondContact O-N 3.02Å; R187-N191 PolarHBondContact O-ND2 2.56Å; H188-N191 PolarHBondContact O-N 3.02Å; V189-N191 VanDerWaalsContact C-N 3.34Å; V189-N191 PolarHBondContact O-N 3.44Å; N191-L193 VanDerWaalsContact C-N 3.31Å; N191-L193 PolarHBondContact O-N 3.25Å; N191-R194 PolarHBondContact O-N 3.11Å; N191-R194 VanDerWaalsContact O-N 3.17Å; N191-R194 PolarHBondContact OD1-NH1 3.43Å; N191-T195 PolarHBondContact O-N 3.06Å; N191-T195 PolarHBondContact O-OG1 2.81Å; N191-T195 VanDerWaalsContact O-OG1 3.05Å |
| 192 | Y | 98.7 | Very high | 97.7 | Very high | 7 Ų | 7 | 48.6 Ų | 48.6 | 3% | 0.027 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.7 | -41.2 | 172.5 | 175.8 | -96.5 | 0 | 0 | 0 | 111.8 | Y153 H188 V189 R194 G196 L219 D221 M222 L225 | Y153-Y192 HydrophobicContact CD2-CE1 4.5Å; Y153-Y192 HydrophobicContact CE1-CE1 4.44Å; Y153-Y192 HydrophobicContact CE2-CD1 4.23Å; Y153-Y192 AromaticContact CE2-CE1 3.74Å; Y153-Y192 HydrophobicContact CE2-CE1 3.74Å; Y153-Y192 AromaticContact CZ-CE1 3.7Å; H188-Y192 WeakPolarHBondContact O-CB 3.35Å; H188-Y192 PolarHBondContact O-N 2.76Å; V189-Y192 WeakPolarHBondContact O-CB 3.28Å; V189-Y192 PolarHBondContact O-N 3.32Å; V189-Y192 VanDerWaalsContact O-N 3.17Å; Y192-R194 VanDerWaalsContact C-N 3.33Å; Y192-R194 PolarHBondContact O-N 3.22Å; Y192-G196 WeakPolarHBondContact O-CA 3.16Å; Y192-G196 PolarHBondContact O-N 3.32Å; Y192-L219 HydrophobicContact CD1-CD1 4.19Å; Y192-L219 HydrophobicContact CE1-CD2 4.47Å; Y192-D221 WeakPolarHBondContact OH-CB 3.25Å; Y192-M222 HydrophobicContact CD1-CB 3.9Å; Y192-M222 HydrophobicContact CD1-CG 4.12Å; Y192-M222 HydrophobicContact CD1-SD 3.79Å; Y192-M222 HydrophobicContact CD2-CB 4.2Å; Y192-M222 HydrophobicContact CD2-CG 4.05Å; Y192-M222 HydrophobicContact CD2-SD 4.4Å; Y192-M222 HydrophobicContact CE1-CB 3.7Å; Y192-M222 HydrophobicContact CE1-CG 4.39Å; Y192-M222 HydrophobicContact CE2-CB 4.03Å; Y192-M222 HydrophobicContact CE2-CG 4.35Å; Y192-M222 HydrophobicContact CG-CB 4.14Å; Y192-M222 HydrophobicContact CG-CG 3.93Å; Y192-M222 HydrophobicContact CG-SD 3.7Å; Y192-M222 PolarHBondContact OH-N 2.99Å; Y192-L225 HydrophobicContact CD2-CD1 4.36Å; Y192-L225 HydrophobicContact CE2-CD1 3.68Å |
| 193 | L | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 174.1 | -64.1 | 175.5 | 0 | 0 | 0 | 111.9 | T149 L150 K152 Y153 L158 V189 L190 N191 L219 | T149-L193 HydrophobicContact CG2-CB 3.65Å; L150-L193 HydrophobicContact CD2-CD1 4.49Å; K152-L193 WeakPolarHBondContact CD-O 3.33Å; K152-L193 PolarHBondContact NZ-O 3.15Å; Y153-L193 HydrophobicContact CD2-CD2 3.52Å; Y153-L193 HydrophobicContact CE2-CD2 3.85Å; L158-L193 HydrophobicContact CD1-CD1 3.6Å; V189-L193 WeakPolarHBondContact O-CG 3.3Å; V189-L193 PolarHBondContact O-N 2.92Å; L190-L193 HydrophobicContact CD1-CD1 4.49Å; L190-L193 WeakPolarHBondContact O-CB 3.23Å; L190-L193 PolarHBondContact O-N 3.34Å; N191-L193 VanDerWaalsContact C-N 3.31Å; N191-L193 PolarHBondContact O-N 3.25Å; L193-L219 HydrophobicContact CD2-CD1 4.31Å; L193-L219 HydrophobicContact CD2-CD2 3.92Å |
| 194 | R | 98.3 | Very high | 97.3 | Very high | 113 Ų | 113 | 52.4 Ų | 52.4 | 43% | 0.426 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.2 | -52.6 | 179.7 | -69.8 | 171.6 | 178.3 | 148.3 | -4.5 | 112 | T144 T149 K152 L190 N191 Y192 | T144-R194 PolarHBondContact O-NH2 3.04Å; T149-R194 HydrophobicContact CG2-CG 3.79Å; K152-R194 PolarHBondContact NZ-O 3.36Å; K152-R194 VanDerWaalsContact NZ-O 3.15Å; L190-R194 WeakPolarHBondContact O-CG 3.4Å; L190-R194 PolarHBondContact O-N 2.94Å; L190-R194 VanDerWaalsContact O-N 3.07Å; N191-R194 PolarHBondContact O-N 3.11Å; N191-R194 VanDerWaalsContact O-N 3.17Å; N191-R194 PolarHBondContact OD1-NH1 3.43Å; Y192-R194 VanDerWaalsContact C-N 3.33Å; Y192-R194 PolarHBondContact O-N 3.22Å |
| 195 | T | 97.9 | Very high | 97.1 | Very high | 67 Ų | 67 | 56.4 Ų | 56.4 | 41% | 0.411 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -98.6 | -21.6 | -167.4 | 65 | 0 | 0 | 0 | 0 | 114.3 | N191 Q197 L199 | N191-T195 PolarHBondContact O-N 3.06Å; N191-T195 PolarHBondContact O-OG1 2.81Å; N191-T195 VanDerWaalsContact O-OG1 3.05Å; T195-Q197 PolarHBondContact O-N 2.7Å; T195-Q197 PolarHBondContact OG1-N 2.73Å; T195-Q197 VanDerWaalsContact OG1-N 3.08Å; T195-Q197 PolarHBondContact OG1-O 3.42Å; T195-L199 HydrophobicContact CG2-CD1 4.23Å |
| 196 | G | 97.6 | Very high | 97.1 | Very high | 28 Ų | 28 | 60.8 Ų | 60.8 | 29% | 0.289 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 72.2 | 10.5 | -167.4 | 0 | 0 | 0 | 0 | 0 | 114 | Y153 Y192 | Y153-G196 WeakPolarHBondContact OH-CA 3.22Å; Y192-G196 WeakPolarHBondContact O-CA 3.16Å; Y192-G196 PolarHBondContact O-N 3.32Å |
| 197 | Q | 97.9 | Very high | 96.9 | Very high | 116 Ų | 116 | 61.8 Ų | 61.8 | 54% | 0.542 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -120.3 | 142.1 | -175 | -61.6 | 179.8 | -6.7 | 0 | 0 | 111.3 | T195 L199 | T195-Q197 PolarHBondContact O-N 2.7Å; T195-Q197 PolarHBondContact OG1-N 2.73Å; T195-Q197 VanDerWaalsContact OG1-N 3.08Å; T195-Q197 PolarHBondContact OG1-O 3.42Å; Q197-L199 HydrophobicContact CB-CD2 4.06Å; Q197-L199 HydrophobicContact CB-CG 4.05Å; Q197-L199 PolarHBondContact O-N 3.46Å |
| 198 | L | 97.7 | Very high | 96.9 | Very high | 39 Ų | 39 | 61.8 Ų | 61.8 | 20% | 0.204 | 32% | 0.32 | C | S | . | . | trans | -82.8 | 90.4 | 173.2 | -174.8 | 66.2 | 0 | 0 | 0 | 109.6 | L200 L210 M222 L225 I226 | L198-L200 HydrophobicContact CD1-CD1 3.85Å; L198-L200 HydrophobicContact CD1-CD2 4.38Å; L198-L200 HydrophobicContact CD1-CG 4.06Å; L198-L200 HydrophobicContact CD2-CD1 4.02Å; L198-L200 HydrophobicContact CG-CD1 3.8Å; L198-L200 HydrophobicContact CG-CG 4.03Å; L198-L210 HydrophobicContact CD1-CD2 4.12Å; L198-M222 HydrophobicContact CD1-CE 3.94Å; L198-M222 HydrophobicContact CD1-CG 4.31Å; L198-L225 HydrophobicContact CB-CB 3.99Å; L198-L225 HydrophobicContact CB-CD1 3.93Å; L198-L225 HydrophobicContact CD2-CB 3.76Å; L198-L225 HydrophobicContact CG-CB 4.48Å; L198-I226 HydrophobicContact CD1-CG1 4.07Å; L198-I226 HydrophobicContact CD2-CB 4.45Å; L198-I226 HydrophobicContact CD2-CG1 3.78Å | ||
| 199 | L | 96.4 | Very high | 96.9 | Very high | 92 Ų | 92 | 65.3 Ų | 65.3 | 48% | 0.482 | 34% | 0.339 | S | S | . | . | trans | -98.1 | 104.1 | -178.6 | -58.8 | 177 | 0 | 0 | 0 | 110.3 | T195 Q197 | T195-L199 HydrophobicContact CG2-CD1 4.23Å; Q197-L199 HydrophobicContact CB-CD2 4.06Å; Q197-L199 HydrophobicContact CB-CG 4.05Å; Q197-L199 PolarHBondContact O-N 3.46Å | ||
| 200 | L | 96.8 | Very high | 96.8 | Very high | 24 Ų | 24 | 65.3 Ų | 65.3 | 13% | 0.126 | 34% | 0.339 | C | S | . | . | trans | -128.3 | 144 | -178.1 | -58.9 | 176.6 | 0 | 0 | 0 | 109.6 | H188 L198 F204 L210 | H188-L200 HydrophobicContact CB-CD2 4.18Å; H188-L200 WeakPolarHBondContact ND1-CD2 3.4Å; L198-L200 HydrophobicContact CD1-CD1 3.85Å; L198-L200 HydrophobicContact CD1-CD2 4.38Å; L198-L200 HydrophobicContact CD1-CG 4.06Å; L198-L200 HydrophobicContact CD2-CD1 4.02Å; L198-L200 HydrophobicContact CG-CD1 3.8Å; L198-L200 HydrophobicContact CG-CG 4.03Å; L200-F204 HydrophobicContact CB-CB 4.18Å; L200-F204 HydrophobicContact CB-CD1 4.35Å; L200-F204 HydrophobicContact CB-CG 4.18Å; L200-F204 HydrophobicContact CD1-CD1 3.91Å; L200-F204 HydrophobicContact CD1-CE1 4.1Å; L200-F204 HydrophobicContact CD2-CD1 4.26Å; L200-F204 HydrophobicContact CD2-CD2 4.47Å; L200-F204 HydrophobicContact CD2-CE1 4.15Å; L200-F204 HydrophobicContact CD2-CE2 4.4Å; L200-F204 HydrophobicContact CD2-CG 4.41Å; L200-F204 HydrophobicContact CD2-CZ 4.23Å; L200-F204 HydrophobicContact CG-CD1 4.4Å; L200-L210 HydrophobicContact CD1-CD2 3.7Å; L200-L210 HydrophobicContact CD2-CD2 3.56Å; L200-L210 HydrophobicContact CG-CD2 4.26Å | ||
| 201 | P | 95.3 | Very high | 96.8 | Very high | 57 Ų | 57 | 67 Ų | 67 | 37% | 0.37 | 35% | 0.347 | S | S | . | . | trans | -53.3 | 149.8 | 169.3 | -24.9 | 33.7 | 0 | 0 | 0 | 112 | D203 F204 R229 | P201-D203 VanDerWaalsContact CB-OD1 3.25Å; P201-D203 WeakPolarHBondContact CB-OD1 3.49Å; P201-D203 PolarHBondContact O-N 2.92Å; P201-F204 HydrophobicContact CB-CB 4.33Å; P201-F204 WeakPolarHBondContact O-CB 3.36Å; P201-F204 PolarHBondContact O-N 3.33Å; P201-F204 VanDerWaalsContact O-N 3.1Å; P201-R229 PolarHBondContact O-NH2 3.38Å | ||
| 202 | D | 91 | Very high | 96.8 | Very high | 167 Ų | 167 | 70 Ų | 70 | 89% | 0.893 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -35.2 | -180 | -67.9 | -28 | 0 | 0 | 0 | 111.9 | ||
| 203 | D | 92.9 | Very high | 96.8 | Very high | 122 Ų | 122 | 70.1 Ų | 70.1 | 65% | 0.652 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 12.9 | 179 | 67 | -28.5 | 0 | 0 | 0 | 114.1 | P201 Q205 | P201-D203 VanDerWaalsContact CB-OD1 3.25Å; P201-D203 WeakPolarHBondContact CB-OD1 3.49Å; P201-D203 PolarHBondContact O-N 2.92Å; D203-Q205 WeakPolarHBondContact O-CG 3.34Å; D203-Q205 PolarHBondContact O-N 3.45Å; D203-Q205 VanDerWaalsContact O-N 3.09Å; D203-Q205 PolarHBondContact O-NE2 3.31Å |
| 204 | F | 96 | Very high | 96.8 | Very high | 22 Ų | 22 | 70.1 Ų | 70.1 | 10% | 0.096 | 36% | 0.36 | C | S | . | . | trans | -63.8 | 110.5 | -176.8 | -175.2 | -98.7 | 0 | 0 | 0 | 112.8 | M185 H188 L200 P201 E206 L210 | M185-F204 HydrophobicContact CE-CE2 4.42Å; M185-F204 HydrophobicContact CE-CZ 4.34Å; M185-F204 HydrophobicContact SD-CZ 4.13Å; H188-F204 AromaticContact CD2-CE2 3.96Å; H188-F204 AromaticContact CE1-CE2 3.81Å; H188-F204 AromaticContact NE2-CE2 3.33Å; H188-F204 VanDerWaalsContact NE2-CE2 3.33Å; H188-F204 WeakPolarHBondContact NE2-CE2 3.38Å; H188-F204 AromaticContact NE2-CZ 3.97Å; L200-F204 HydrophobicContact CB-CB 4.18Å; L200-F204 HydrophobicContact CB-CD1 4.35Å; L200-F204 HydrophobicContact CB-CG 4.18Å; L200-F204 HydrophobicContact CD1-CD1 3.91Å; L200-F204 HydrophobicContact CD1-CE1 4.1Å; L200-F204 HydrophobicContact CD2-CD1 4.26Å; L200-F204 HydrophobicContact CD2-CD2 4.47Å; L200-F204 HydrophobicContact CD2-CE1 4.15Å; L200-F204 HydrophobicContact CD2-CE2 4.4Å; L200-F204 HydrophobicContact CD2-CG 4.41Å; L200-F204 HydrophobicContact CD2-CZ 4.23Å; L200-F204 HydrophobicContact CG-CD1 4.4Å; P201-F204 HydrophobicContact CB-CB 4.33Å; P201-F204 WeakPolarHBondContact O-CB 3.36Å; P201-F204 PolarHBondContact O-N 3.33Å; P201-F204 VanDerWaalsContact O-N 3.1Å; F204-E206 VanDerWaalsContact CE1-C 3.47Å; F204-E206 HydrophobicContact CE1-CB 4.3Å; F204-E206 HydrophobicContact CE2-CB 4.23Å; F204-E206 HydrophobicContact CZ-CB 3.87Å; F204-L210 HydrophobicContact CE1-CB 4.16Å; F204-L210 HydrophobicContact CE1-CD2 3.97Å; F204-L210 HydrophobicContact CZ-CB 4.19Å; F204-L210 HydrophobicContact CZ-CD2 4.16Å | ||
| 205 | Q | 94.6 | Very high | 96.8 | Very high | 167 Ų | 167 | 70.1 Ų | 70.1 | 78% | 0.78 | 37% | 0.365 | S | S | * | . | trans | -93.6 | -18.8 | -176.3 | -58.3 | -53.5 | -51.6 | 0 | 0 | 114.3 | D203 T207 | D203-Q205 WeakPolarHBondContact O-CG 3.34Å; D203-Q205 PolarHBondContact O-N 3.45Å; D203-Q205 VanDerWaalsContact O-N 3.09Å; D203-Q205 PolarHBondContact O-NE2 3.31Å; Q205-T207 PolarHBondContact O-N 2.94Å | ||
| 206 | E | 96.7 | Very high | 96.9 | Very high | 92 Ų | 92 | 70 Ų | 70 | 43% | 0.43 | 36% | 0.359 | S | S | . | . | trans | -86.8 | 36.2 | -170.9 | -63.4 | 179.2 | 130.6 | 0 | 0 | 113 | M185 F204 D208 L209 L210 | M185-E206 HydrophobicContact CE-CB 4.02Å; M185-E206 WeakPolarHBondContact CE-OE2 3.48Å; M185-E206 HydrophobicContact SD-CB 4.22Å; F204-E206 VanDerWaalsContact CE1-C 3.47Å; F204-E206 HydrophobicContact CE1-CB 4.3Å; F204-E206 HydrophobicContact CE2-CB 4.23Å; F204-E206 HydrophobicContact CZ-CB 3.87Å; E206-D208 VanDerWaalsContact C-N 3.28Å; E206-D208 PolarHBondContact O-N 2.94Å; E206-L209 HydrophobicContact CB-CB 4.36Å; E206-L209 HydrophobicContact CB-CD1 4.13Å; E206-L209 HydrophobicContact CG-CD1 4.15Å; E206-L209 PolarHBondContact O-N 2.94Å; E206-L210 PolarHBondContact O-N 2.81Å | ||
| 207 | T | 96.4 | Very high | 96.9 | Very high | 22 Ų | 22 | 68.7 Ų | 68.7 | 14% | 0.135 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.7 | -35.7 | -174.7 | -57.2 | 0 | 0 | 0 | 0 | 112.1 | Q205 L210 E211 I226 | Q205-T207 PolarHBondContact O-N 2.94Å; T207-L210 PolarHBondContact O-N 3.34Å; T207-E211 PolarHBondContact O-N 3.28Å; T207-I226 HydrophobicContact CG2-CG2 3.68Å |
| 208 | D | 97.2 | Very high | 96.9 | Very high | 109 Ų | 109 | 66.1 Ų | 66.1 | 58% | 0.583 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -69.8 | -39.5 | 178.4 | -63.7 | -14.3 | 0 | 0 | 0 | 112 | E206 E211 Q212 R230 | E206-D208 VanDerWaalsContact C-N 3.28Å; E206-D208 PolarHBondContact O-N 2.94Å; D208-E211 PolarHBondContact O-N 3.12Å; D208-Q212 WeakPolarHBondContact O-CG 3.47Å; D208-Q212 PolarHBondContact O-N 3.48Å; D208-Q212 VanDerWaalsContact O-N 3.14Å; D208-R230 IonicContact OD1-CZ 3.49Å; D208-R230 IonicContact OD1-NE 3.35Å; D208-R230 IonicContact OD1-NH2 3.61Å; D208-R230 PolarHBondContact OD1-NH2 3.37Å |
| 209 | L | 98.2 | Very high | 97 | Very high | 81 Ų | 81 | 64.4 Ų | 64.4 | 42% | 0.424 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 174.3 | -64 | 179 | 0 | 0 | 0 | 110.9 | M185 E206 E211 Q212 E213 | M185-L209 HydrophobicContact CG-CB 3.92Å; M185-L209 HydrophobicContact SD-CB 3.88Å; E206-L209 HydrophobicContact CB-CB 4.36Å; E206-L209 HydrophobicContact CB-CD1 4.13Å; E206-L209 HydrophobicContact CG-CD1 4.15Å; E206-L209 PolarHBondContact O-N 2.94Å; L209-E211 VanDerWaalsContact C-N 3.33Å; L209-E211 PolarHBondContact O-N 3.43Å; L209-Q212 WeakPolarHBondContact O-CB 3.1Å; L209-Q212 PolarHBondContact O-N 3.22Å; L209-E213 PolarHBondContact O-N 3.24Å |
| 210 | L | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.6 | -37.2 | 176.5 | -175.9 | 60.1 | 0 | 0 | 0 | 112.6 | M185 H188 V189 L198 L200 F204 E206 T207 Q212 E213 A214 M222 I226 | M185-L210 HydrophobicContact SD-CB 4.07Å; H188-L210 HydrophobicContact CB-CD1 3.52Å; H188-L210 HydrophobicContact CB-CD2 4.19Å; V189-L210 HydrophobicContact CG2-CD1 4.44Å; L198-L210 HydrophobicContact CD1-CD2 4.12Å; L200-L210 HydrophobicContact CD1-CD2 3.7Å; L200-L210 HydrophobicContact CD2-CD2 3.56Å; L200-L210 HydrophobicContact CG-CD2 4.26Å; F204-L210 HydrophobicContact CE1-CB 4.16Å; F204-L210 HydrophobicContact CE1-CD2 3.97Å; F204-L210 HydrophobicContact CZ-CB 4.19Å; F204-L210 HydrophobicContact CZ-CD2 4.16Å; E206-L210 PolarHBondContact O-N 2.81Å; T207-L210 PolarHBondContact O-N 3.34Å; L210-Q212 VanDerWaalsContact C-N 3.33Å; L210-E213 PolarHBondContact O-N 3.15Å; L210-A214 WeakPolarHBondContact O-CB 3.26Å; L210-A214 PolarHBondContact O-N 2.72Å; L210-M222 HydrophobicContact CD1-CE 3.61Å; L210-M222 HydrophobicContact CD2-CE 4.15Å; L210-M222 HydrophobicContact CG-CE 3.97Å; L210-I226 HydrophobicContact CD2-CD1 4.26Å; L210-I226 HydrophobicContact CD2-CG1 4.46Å; L210-I226 HydrophobicContact CG-CD1 3.94Å |
| 211 | E | 98.2 | Very high | 97.1 | Very high | 37 Ų | 37 | 69.8 Ų | 69.8 | 17% | 0.173 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 175.1 | -171.9 | 168.3 | -178.1 | 0 | 0 | 111.6 | T207 D208 L209 E213 A214 Q215 L223 I226 K227 R230 | T207-E211 PolarHBondContact O-N 3.28Å; D208-E211 PolarHBondContact O-N 3.12Å; L209-E211 VanDerWaalsContact C-N 3.33Å; L209-E211 PolarHBondContact O-N 3.43Å; E211-E213 VanDerWaalsContact C-N 3.35Å; E211-E213 PolarHBondContact O-N 3.05Å; E211-A214 PolarHBondContact O-N 3.22Å; E211-Q215 WeakPolarHBondContact O-CB 3.45Å; E211-Q215 PolarHBondContact O-N 3.11Å; E211-L223 HydrophobicContact CG-CD2 3.77Å; E211-I226 HydrophobicContact CB-CG2 4.12Å; E211-I226 HydrophobicContact CG-CG2 4.45Å; E211-K227 WeakPolarHBondContact OE1-CE 3.36Å; E211-R230 IonicContact OE2-CZ 3.15Å; E211-R230 IonicContact OE2-NH1 2.7Å; E211-R230 PolarHBondContact OE2-NH1 2.87Å; E211-R230 IonicContact OE2-NH2 2.7Å; E211-R230 PolarHBondContact OE2-NH2 3.26Å |
| 212 | Q | 98.5 | Very high | 97.2 | Very high | 107 Ų | 107 | 67 Ų | 67 | 50% | 0.5 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 175.9 | -66.6 | -64.9 | -19.3 | 0 | 0 | 112.1 | D208 L209 L210 Q215 F216 | D208-Q212 WeakPolarHBondContact O-CG 3.47Å; D208-Q212 PolarHBondContact O-N 3.48Å; D208-Q212 VanDerWaalsContact O-N 3.14Å; L209-Q212 WeakPolarHBondContact O-CB 3.1Å; L209-Q212 PolarHBondContact O-N 3.22Å; L210-Q212 VanDerWaalsContact C-N 3.33Å; Q212-Q215 PolarHBondContact O-N 2.98Å; Q212-F216 WeakPolarHBondContact O-CB 3.13Å; Q212-F216 PolarHBondContact O-N 3.37Å |
| 213 | E | 98.7 | Very high | 97.5 | Very high | 11 Ų | 11 | 60.5 Ų | 60.5 | 5% | 0.051 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.9 | -46 | 175.1 | -66.4 | -45.1 | 117.8 | 0 | 0 | 112.1 | R181 M185 V189 L209 L210 E211 Q215 F216 Y217 | R181-E213 IonicContact CZ-OE1 3.74Å; R181-E213 IonicContact CZ-OE2 2.69Å; R181-E213 IonicContact NE-OE1 3.34Å; R181-E213 PolarHBondContact NE-OE1 2.88Å; R181-E213 IonicContact NE-OE2 3.03Å; R181-E213 PolarHBondContact NE-OE2 2.76Å; R181-E213 IonicContact NH2-OE1 3.57Å; R181-E213 PolarHBondContact NH2-OE1 3.4Å; R181-E213 IonicContact NH2-OE2 2.73Å; M185-E213 HydrophobicContact CB-CB 4.38Å; M185-E213 HydrophobicContact CB-CG 3.46Å; M185-E213 VanDerWaalsContact CB-CG 3.46Å; M185-E213 HydrophobicContact CG-CG 4.23Å; V189-E213 HydrophobicContact CG2-CB 3.99Å; L209-E213 PolarHBondContact O-N 3.24Å; L210-E213 PolarHBondContact O-N 3.15Å; E211-E213 VanDerWaalsContact C-N 3.35Å; E211-E213 PolarHBondContact O-N 3.05Å; E213-Q215 PolarHBondContact O-N 2.8Å; E213-F216 PolarHBondContact O-N 2.85Å; E213-F216 VanDerWaalsContact O-N 3.11Å; E213-Y217 HydrophobicContact CB-CD2 4.23Å; E213-Y217 HydrophobicContact CB-CE2 4.05Å; E213-Y217 WeakPolarHBondContact O-CD2 3.46Å; E213-Y217 PolarHBondContact O-N 2.86Å; E213-Y217 WeakPolarHBondContact OE2-CE2 3.33Å |
| 214 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.1 | -34.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | L210 E211 D218 L219 M222 L223 I226 | L210-A214 WeakPolarHBondContact O-CB 3.26Å; L210-A214 PolarHBondContact O-N 2.72Å; E211-A214 PolarHBondContact O-N 3.22Å; A214-D218 PolarHBondContact O-N 3.06Å; A214-L219 PolarHBondContact O-N 3.32Å; A214-M222 HydrophobicContact CB-CB 4.43Å; A214-M222 HydrophobicContact CB-CE 4.43Å; A214-M222 HydrophobicContact CB-CG 4.16Å; A214-M222 HydrophobicContact CB-SD 4.03Å; A214-L223 HydrophobicContact CB-CD2 3.64Å; A214-L223 HydrophobicContact CB-CG 3.97Å; A214-I226 HydrophobicContact CB-CD1 3.76Å |
| 215 | Q | 98.5 | Very high | 97.9 | Very high | 112 Ų | 112 | 59.7 Ų | 59.7 | 52% | 0.523 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -69.3 | -46.9 | 172.8 | -173.5 | 173.4 | 12.9 | 0 | 0 | 112.1 | E211 Q212 E213 Y217 D218 L223 | E211-Q215 WeakPolarHBondContact O-CB 3.45Å; E211-Q215 PolarHBondContact O-N 3.11Å; Q212-Q215 PolarHBondContact O-N 2.98Å; E213-Q215 PolarHBondContact O-N 2.8Å; Q215-Y217 VanDerWaalsContact C-N 3.29Å; Q215-Y217 PolarHBondContact O-N 3.24Å; Q215-D218 PolarHBondContact O-N 2.69Å; Q215-D218 VanDerWaalsContact O-N 3.11Å; Q215-L223 HydrophobicContact CB-CD1 4.46Å; Q215-L223 HydrophobicContact CB-CD2 4.3Å |
| 216 | F | 98.6 | Very high | 98 | Very high | 66 Ų | 66 | 51.8 Ų | 51.8 | 29% | 0.289 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.9 | -38.4 | 178.3 | 173.7 | -94 | 0 | 0 | 0 | 112.9 | H157 I179 R181 Q212 E213 D218 | H157-F216 AromaticContact CE1-CZ 3.68Å; H157-F216 AromaticContact ND1-CE1 3.92Å; H157-F216 AromaticContact ND1-CZ 3.86Å; H157-F216 PolarHBondContact ND1-O 2.92Å; I179-F216 HydrophobicContact CG2-CE1 4.27Å; R181-F216 HydrophobicContact CG-CD1 3.74Å; R181-F216 HydrophobicContact CG-CE1 3.43Å; R181-F216 VanDerWaalsContact CG-CE1 3.43Å; R181-F216 HydrophobicContact CG-CE2 4.38Å; R181-F216 HydrophobicContact CG-CG 4.36Å; R181-F216 HydrophobicContact CG-CZ 3.78Å; Q212-F216 WeakPolarHBondContact O-CB 3.13Å; Q212-F216 PolarHBondContact O-N 3.37Å; E213-F216 PolarHBondContact O-N 2.85Å; E213-F216 VanDerWaalsContact O-N 3.11Å; F216-D218 VanDerWaalsContact C-N 3.25Å; F216-D218 PolarHBondContact O-N 2.86Å |
| 217 | Y | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 5.4 | 179.4 | -63.1 | -63.6 | 0 | 0 | 0 | 113.8 | S156 H157 L158 I179 R181 F186 V189 E213 Q215 L219 | S156-Y217 WeakPolarHBondContact CB-O 3.45Å; H157-Y217 PolarHBondContact N-O 3.08Å; L158-Y217 HydrophobicContact CD1-CD1 3.91Å; L158-Y217 HydrophobicContact CD1-CE1 4.4Å; L158-Y217 HydrophobicContact CD1-CG 4.25Å; L158-Y217 HydrophobicContact CD2-CD1 3.87Å; L158-Y217 HydrophobicContact CD2-CE1 3.9Å; L158-Y217 HydrophobicContact CG-CD1 3.61Å; L158-Y217 HydrophobicContact CG-CE1 4.15Å; L158-Y217 HydrophobicContact CG-CG 4.33Å; I179-Y217 HydrophobicContact CG2-CE1 4.42Å; R181-Y217 VanDerWaalsContact CB-OH 3.29Å; R181-Y217 WeakPolarHBondContact CB-OH 3.39Å; F186-Y217 HydrophobicContact CD2-CE1 4.33Å; F186-Y217 AromaticContact CD2-CE2 3.79Å; F186-Y217 HydrophobicContact CD2-CE2 3.79Å; F186-Y217 AromaticContact CD2-CZ 3.58Å; F186-Y217 WeakPolarHBondContact CD2-OH 3.45Å; F186-Y217 HydrophobicContact CE2-CE1 4.11Å; F186-Y217 HydrophobicContact CE2-CE2 4.25Å; F186-Y217 AromaticContact CE2-CZ 3.82Å; V189-Y217 HydrophobicContact CB-CD2 4.36Å; V189-Y217 HydrophobicContact CG1-CD2 3.75Å; V189-Y217 HydrophobicContact CG1-CE2 4.23Å; V189-Y217 HydrophobicContact CG1-CG 4.24Å; V189-Y217 HydrophobicContact CG2-CD2 3.87Å; V189-Y217 HydrophobicContact CG2-CE2 4.13Å; E213-Y217 HydrophobicContact CB-CD2 4.23Å; E213-Y217 HydrophobicContact CB-CE2 4.05Å; E213-Y217 WeakPolarHBondContact O-CD2 3.46Å; E213-Y217 PolarHBondContact O-N 2.86Å; E213-Y217 WeakPolarHBondContact OE2-CE2 3.33Å; Q215-Y217 VanDerWaalsContact C-N 3.29Å; Q215-Y217 PolarHBondContact O-N 3.24Å; Y217-L219 VanDerWaalsContact C-N 3.28Å; Y217-L219 PolarHBondContact O-N 3.44Å |
| 218 | D | 98.4 | Very high | 97.9 | Very high | 62 Ų | 62 | 58.9 Ų | 58.9 | 33% | 0.332 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 34.6 | -176.3 | -70.8 | -29.9 | 0 | 0 | 0 | 113.7 | H157 K160 A214 Q215 F216 K220 | H157-D218 HydrophobicContact CB-CB 4.39Å; K160-D218 IonicContact NZ-OD2 2.95Å; K160-D218 PolarHBondContact NZ-OD2 3.42Å; A214-D218 PolarHBondContact O-N 3.06Å; Q215-D218 PolarHBondContact O-N 2.69Å; Q215-D218 VanDerWaalsContact O-N 3.11Å; F216-D218 VanDerWaalsContact C-N 3.25Å; F216-D218 PolarHBondContact O-N 2.86Å; D218-K220 PolarHBondContact O-N 2.7Å |
| 219 | L | 98.5 | Very high | 97.7 | Very high | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | trans | -90 | 76.4 | -178.2 | -65.5 | 174.2 | 0 | 0 | 0 | 111.8 | Y153 V189 Y192 L193 A214 Y217 D221 M222 L223 | Y153-L219 HydrophobicContact CD2-CD2 4.15Å; Y153-L219 HydrophobicContact CG-CD2 4.37Å; V189-L219 HydrophobicContact CG1-CD1 3.69Å; Y192-L219 HydrophobicContact CD1-CD1 4.19Å; Y192-L219 HydrophobicContact CE1-CD2 4.47Å; L193-L219 HydrophobicContact CD2-CD1 4.31Å; L193-L219 HydrophobicContact CD2-CD2 3.92Å; A214-L219 PolarHBondContact O-N 3.32Å; Y217-L219 VanDerWaalsContact C-N 3.28Å; Y217-L219 PolarHBondContact O-N 3.44Å; L219-D221 PolarHBondContact O-N 3.25Å; L219-M222 HydrophobicContact CB-CB 3.83Å; L219-M222 HydrophobicContact CB-SD 4.49Å; L219-M222 HydrophobicContact CD1-SD 3.94Å; L219-M222 WeakPolarHBondContact O-CB 3.24Å; L219-M222 PolarHBondContact O-N 2.9Å; L219-M222 VanDerWaalsContact O-N 3.16Å; L219-L223 PolarHBondContact O-N 3.02Å | ||
| 220 | K | 97.5 | Very high | 97.2 | Very high | 126 Ų | 126 | 56 Ų | 56 | 55% | 0.548 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -55.3 | -47.1 | -174.3 | -62.3 | 172.5 | -168.8 | 144 | 0 | 113.8 | D155 D218 M222 L223 V224 | D155-K220 IonicContact OD2-NZ 2.8Å; D155-K220 PolarHBondContact OD2-NZ 3.19Å; D218-K220 PolarHBondContact O-N 2.7Å; K220-M222 VanDerWaalsContact C-N 3.32Å; K220-M222 PolarHBondContact O-N 2.87Å; K220-L223 WeakPolarHBondContact O-CB 3.29Å; K220-L223 PolarHBondContact O-N 3.26Å; K220-V224 PolarHBondContact O-N 3.14Å; K220-V224 VanDerWaalsContact O-N 3.1Å |
| 221 | D | 97.7 | Very high | 96.8 | Very high | 102 Ų | 102 | 60.5 Ų | 60.5 | 55% | 0.545 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.6 | -37.9 | -179.2 | -71.8 | -10.7 | 0 | 0 | 0 | 111.3 | Y192 L219 L223 V224 L225 | Y192-D221 WeakPolarHBondContact OH-CB 3.25Å; L219-D221 PolarHBondContact O-N 3.25Å; D221-L223 PolarHBondContact O-N 3.03Å; D221-V224 PolarHBondContact O-N 3.34Å; D221-L225 WeakPolarHBondContact O-CG 3.27Å; D221-L225 PolarHBondContact O-N 2.96Å; D221-L225 VanDerWaalsContact O-N 3.13Å |
| 222 | M | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62 | -42.4 | 173.3 | -170.2 | 175.3 | 171.6 | 0 | 0 | 111.6 | V189 Y192 L198 L210 A214 L219 K220 V224 L225 I226 | V189-M222 HydrophobicContact CG2-CE 4.21Å; V189-M222 HydrophobicContact CG2-SD 4.47Å; Y192-M222 HydrophobicContact CD1-CB 3.9Å; Y192-M222 HydrophobicContact CD1-CG 4.12Å; Y192-M222 HydrophobicContact CD1-SD 3.79Å; Y192-M222 HydrophobicContact CD2-CB 4.2Å; Y192-M222 HydrophobicContact CD2-CG 4.05Å; Y192-M222 HydrophobicContact CD2-SD 4.4Å; Y192-M222 HydrophobicContact CE1-CB 3.7Å; Y192-M222 HydrophobicContact CE1-CG 4.39Å; Y192-M222 HydrophobicContact CE2-CB 4.03Å; Y192-M222 HydrophobicContact CE2-CG 4.35Å; Y192-M222 HydrophobicContact CG-CB 4.14Å; Y192-M222 HydrophobicContact CG-CG 3.93Å; Y192-M222 HydrophobicContact CG-SD 3.7Å; Y192-M222 PolarHBondContact OH-N 2.99Å; L198-M222 HydrophobicContact CD1-CE 3.94Å; L198-M222 HydrophobicContact CD1-CG 4.31Å; L210-M222 HydrophobicContact CD1-CE 3.61Å; L210-M222 HydrophobicContact CD2-CE 4.15Å; L210-M222 HydrophobicContact CG-CE 3.97Å; A214-M222 HydrophobicContact CB-CB 4.43Å; A214-M222 HydrophobicContact CB-CE 4.43Å; A214-M222 HydrophobicContact CB-CG 4.16Å; A214-M222 HydrophobicContact CB-SD 4.03Å; L219-M222 HydrophobicContact CB-CB 3.83Å; L219-M222 HydrophobicContact CB-SD 4.49Å; L219-M222 HydrophobicContact CD1-SD 3.94Å; L219-M222 WeakPolarHBondContact O-CB 3.24Å; L219-M222 PolarHBondContact O-N 2.9Å; L219-M222 VanDerWaalsContact O-N 3.16Å; K220-M222 VanDerWaalsContact C-N 3.32Å; K220-M222 PolarHBondContact O-N 2.87Å; M222-V224 VanDerWaalsContact C-N 3.31Å; M222-V224 PolarHBondContact O-N 3.45Å; M222-L225 WeakPolarHBondContact O-CB 3.29Å; M222-L225 PolarHBondContact O-N 3.1Å; M222-L225 VanDerWaalsContact O-N 3.15Å; M222-I226 HydrophobicContact CE-CD1 4.22Å; M222-I226 HydrophobicContact CG-CD1 4.06Å; M222-I226 WeakPolarHBondContact O-CG1 3.35Å; M222-I226 PolarHBondContact O-N 3.12Å |
| 223 | L | 98.1 | Very high | 95.1 | Very high | 29 Ų | 29 | 61.6 Ų | 61.6 | 15% | 0.152 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.6 | -40.6 | 176 | -71.2 | 170.1 | 0 | 0 | 0 | 112.2 | E211 A214 Q215 L219 K220 D221 L225 I226 K227 | E211-L223 HydrophobicContact CG-CD2 3.77Å; A214-L223 HydrophobicContact CB-CD2 3.64Å; A214-L223 HydrophobicContact CB-CG 3.97Å; Q215-L223 HydrophobicContact CB-CD1 4.46Å; Q215-L223 HydrophobicContact CB-CD2 4.3Å; L219-L223 PolarHBondContact O-N 3.02Å; K220-L223 WeakPolarHBondContact O-CB 3.29Å; K220-L223 PolarHBondContact O-N 3.26Å; D221-L223 PolarHBondContact O-N 3.03Å; L223-L225 VanDerWaalsContact C-N 3.33Å; L223-L225 PolarHBondContact O-N 3.09Å; L223-I226 PolarHBondContact O-N 3.02Å; L223-K227 WeakPolarHBondContact O-CG 3.32Å; L223-K227 PolarHBondContact O-N 2.97Å |
| 224 | V | 97.8 | Very high | 93.6 | Very high | 92 Ų | 92 | 67.1 Ų | 67.1 | 56% | 0.558 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.4 | -43.7 | 175.1 | 174.6 | 0 | 0 | 0 | 0 | 110.7 | K220 D221 M222 K227 R228 | K220-V224 PolarHBondContact O-N 3.14Å; K220-V224 VanDerWaalsContact O-N 3.1Å; D221-V224 PolarHBondContact O-N 3.34Å; M222-V224 VanDerWaalsContact C-N 3.31Å; M222-V224 PolarHBondContact O-N 3.45Å; V224-K227 PolarHBondContact O-N 2.98Å; V224-R228 WeakPolarHBondContact O-CB 3.11Å; V224-R228 PolarHBondContact O-N 2.78Å |
| 225 | L | 97.6 | Very high | 91.8 | Very high | 35 Ų | 35 | 70.2 Ų | 70.2 | 18% | 0.183 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 177.6 | -62.7 | 175.1 | 0 | 0 | 0 | 112.3 | Y192 L198 D221 M222 L223 R228 R229 | Y192-L225 HydrophobicContact CD2-CD1 4.36Å; Y192-L225 HydrophobicContact CE2-CD1 3.68Å; L198-L225 HydrophobicContact CB-CB 3.99Å; L198-L225 HydrophobicContact CB-CD1 3.93Å; L198-L225 HydrophobicContact CD2-CB 3.76Å; L198-L225 HydrophobicContact CG-CB 4.48Å; D221-L225 WeakPolarHBondContact O-CG 3.27Å; D221-L225 PolarHBondContact O-N 2.96Å; D221-L225 VanDerWaalsContact O-N 3.13Å; M222-L225 WeakPolarHBondContact O-CB 3.29Å; M222-L225 PolarHBondContact O-N 3.1Å; M222-L225 VanDerWaalsContact O-N 3.15Å; L223-L225 VanDerWaalsContact C-N 3.33Å; L223-L225 PolarHBondContact O-N 3.09Å; L225-R228 PolarHBondContact O-N 3.45Å; L225-R229 PolarHBondContact O-N 2.69Å |
| 226 | I | 97.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.005 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62 | -48.8 | 177.9 | -69.7 | 166.9 | 0 | 0 | 0 | 110.4 | L198 T207 L210 E211 A214 M222 L223 R228 R229 R230 | L198-I226 HydrophobicContact CD1-CG1 4.07Å; L198-I226 HydrophobicContact CD2-CB 4.45Å; L198-I226 HydrophobicContact CD2-CG1 3.78Å; T207-I226 HydrophobicContact CG2-CG2 3.68Å; L210-I226 HydrophobicContact CD2-CD1 4.26Å; L210-I226 HydrophobicContact CD2-CG1 4.46Å; L210-I226 HydrophobicContact CG-CD1 3.94Å; E211-I226 HydrophobicContact CB-CG2 4.12Å; E211-I226 HydrophobicContact CG-CG2 4.45Å; A214-I226 HydrophobicContact CB-CD1 3.76Å; M222-I226 HydrophobicContact CE-CD1 4.22Å; M222-I226 HydrophobicContact CG-CD1 4.06Å; M222-I226 WeakPolarHBondContact O-CG1 3.35Å; M222-I226 PolarHBondContact O-N 3.12Å; L223-I226 PolarHBondContact O-N 3.02Å; I226-R228 PolarHBondContact O-N 3.27Å; I226-R229 WeakPolarHBondContact O-CB 3.4Å; I226-R229 PolarHBondContact O-N 3.1Å; I226-R230 PolarHBondContact O-N 2.53Å; I226-R230 VanDerWaalsContact O-N 3.11Å |
| 227 | K | 95.6 | Very high | 87.6 | Confident | 111 Ų | 111 | 73.3 Ų | 73.3 | 48% | 0.483 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 179.1 | -71.9 | 175.4 | -178.8 | -179.3 | 0 | 112 | E211 L223 V224 R229 R230 T231 | E211-K227 WeakPolarHBondContact OE1-CE 3.36Å; L223-K227 WeakPolarHBondContact O-CG 3.32Å; L223-K227 PolarHBondContact O-N 2.97Å; V224-K227 PolarHBondContact O-N 2.98Å; K227-R229 VanDerWaalsContact C-N 3.35Å; K227-R229 PolarHBondContact O-N 3.43Å; K227-R230 PolarHBondContact O-N 2.86Å; K227-T231 PolarHBondContact O-N 2.76Å; K227-T231 VanDerWaalsContact O-N 3.1Å; K227-T231 PolarHBondContact O-OG1 3.12Å |
| 228 | R | 95.3 | Very high | 84.7 | Confident | 152 Ų | 152 | 79.9 Ų | 79.9 | 57% | 0.574 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60.4 | -43.1 | 175.9 | -175.2 | 176 | 66.2 | -170.8 | 5.4 | 112 | V224 L225 I226 R230 T231 S232 | V224-R228 WeakPolarHBondContact O-CB 3.11Å; V224-R228 PolarHBondContact O-N 2.78Å; L225-R228 PolarHBondContact O-N 3.45Å; I226-R228 PolarHBondContact O-N 3.27Å; R228-R230 VanDerWaalsContact C-N 3.34Å; R228-R230 PolarHBondContact O-N 3.06Å; R228-T231 WeakPolarHBondContact CA-OG1 3.36Å; R228-T231 PolarHBondContact O-N 3.29Å; R228-T231 PolarHBondContact O-OG1 3.28Å; R228-S232 PolarHBondContact O-N 2.83Å; R228-S232 VanDerWaalsContact O-N 3.07Å; R228-S232 PolarHBondContact O-OG 2.93Å |
| 229 | R | 93 | Very high | 84 | Confident | 62 Ų | 62 | 80.8 Ų | 80.8 | 23% | 0.234 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 176.7 | -170.8 | -178 | -171.8 | -152 | 5.7 | 111.3 | P201 L225 I226 K227 T231 S232 S233 | P201-R229 PolarHBondContact O-NH2 3.38Å; L225-R229 PolarHBondContact O-N 2.69Å; I226-R229 WeakPolarHBondContact O-CB 3.4Å; I226-R229 PolarHBondContact O-N 3.1Å; K227-R229 VanDerWaalsContact C-N 3.35Å; K227-R229 PolarHBondContact O-N 3.43Å; R229-T231 VanDerWaalsContact C-N 3.34Å; R229-T231 PolarHBondContact O-N 3.23Å; R229-S232 PolarHBondContact O-N 2.74Å; R229-S233 PolarHBondContact O-N 3.14Å; R229-S233 PolarHBondContact O-OG 3.39Å |
| 230 | R | 88 | Confident | 83.2 | Confident | 68 Ų | 68 | 84.9 Ų | 84.9 | 26% | 0.257 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 178.4 | -168.1 | 179.5 | -70.1 | 114.1 | -7.7 | 112.1 | D208 E211 I226 K227 R228 S233 N234 | D208-R230 IonicContact OD1-CZ 3.49Å; D208-R230 IonicContact OD1-NE 3.35Å; D208-R230 IonicContact OD1-NH2 3.61Å; D208-R230 PolarHBondContact OD1-NH2 3.37Å; E211-R230 IonicContact OE2-CZ 3.15Å; E211-R230 IonicContact OE2-NH1 2.7Å; E211-R230 PolarHBondContact OE2-NH1 2.87Å; E211-R230 IonicContact OE2-NH2 2.7Å; E211-R230 PolarHBondContact OE2-NH2 3.26Å; I226-R230 PolarHBondContact O-N 2.53Å; I226-R230 VanDerWaalsContact O-N 3.11Å; K227-R230 PolarHBondContact O-N 2.86Å; R228-R230 VanDerWaalsContact C-N 3.34Å; R228-R230 PolarHBondContact O-N 3.06Å; R230-S233 PolarHBondContact O-N 2.87Å; R230-N234 PolarHBondContact O-N 2.87Å; R230-N234 VanDerWaalsContact O-N 3.12Å |
| 231 | T | 89.5 | Confident | 82.4 | Confident | 95 Ų | 95 | 82.6 Ų | 82.6 | 58% | 0.583 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.3 | -35.6 | 177.3 | 52.5 | 0 | 0 | 0 | 0 | 113.1 | K227 R228 R229 G235 | K227-T231 PolarHBondContact O-N 2.76Å; K227-T231 VanDerWaalsContact O-N 3.1Å; K227-T231 PolarHBondContact O-OG1 3.12Å; R228-T231 WeakPolarHBondContact CA-OG1 3.36Å; R228-T231 PolarHBondContact O-N 3.29Å; R228-T231 PolarHBondContact O-OG1 3.28Å; R229-T231 VanDerWaalsContact C-N 3.34Å; R229-T231 PolarHBondContact O-N 3.23Å; T231-G235 PolarHBondContact O-N 3.09Å |
| 232 | S | 85.6 | Confident | 81.5 | Confident | 85 Ų | 85 | 81.5 Ų | 81.5 | 59% | 0.594 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.7 | -35.9 | 176.6 | -62 | 0 | 0 | 0 | 0 | 112.5 | R228 R229 | R228-S232 PolarHBondContact O-N 2.83Å; R228-S232 VanDerWaalsContact O-N 3.07Å; R228-S232 PolarHBondContact O-OG 2.93Å; R229-S232 PolarHBondContact O-N 2.74Å |
| 233 | S | 77.1 | Confident | 80.5 | Confident | 82 Ų | 82 | 86.6 Ų | 86.6 | 57% | 0.573 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -71.5 | -35.2 | 176.7 | -60.1 | 0 | 0 | 0 | 0 | 112.9 | R229 R230 | R229-S233 PolarHBondContact O-N 3.14Å; R229-S233 PolarHBondContact O-OG 3.39Å; R230-S233 PolarHBondContact O-N 2.87Å |
| 234 | N | 66.2 | Low | 79.3 | Confident | 127 Ų | 127 | 90.4 Ų | 90.4 | 68% | 0.679 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -79.2 | -16.7 | 179.7 | -79.8 | 23.3 | 0 | 0 | 0 | 113.9 | R230 | R230-N234 PolarHBondContact O-N 2.87Å; R230-N234 VanDerWaalsContact O-N 3.12Å |
| 235 | G | 61.8 | Low | 78 | Confident | 65 Ų | 65 | 90.3 Ų | 90.3 | 67% | 0.67 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -3.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | T231 | T231-G235 PolarHBondContact O-N 3.09Š|
| 236 | N | 57 | Low | 76.4 | Confident | 148 Ų | 148 | 94.5 Ų | 94.5 | 79% | 0.791 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | 20.1 | -177.3 | -156.6 | 50.1 | 0 | 0 | 0 | 113.4 | ||
| 237 | A | 51.2 | Low | 74.7 | Confident | 94 Ų | 94 | 102.3 Ų | 102.3 | 78% | 0.777 | 64% | 0.637 | S | S | * | * | trans | -116.1 | 21.7 | -178 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 238 | G | 36.4 | Very low | 72.8 | Confident | 139 Ų | 139 | 101.5 Ų | 101.5 | 100% | 1.433 | 65% | 0.651 | S | S | * | * | trans | -122.1 | 0 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.6 |
Retrieved 238 of 238 residues in 42.2 ms
(Link to these results)