| 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 | 44.4 | Very low | 42 | Very low | 248 Ų | 248 | 178.5 Ų | 178.5 | 100% | 1.222 | 87% | 0.871 | S | S | * | * | 0 | 84.9 | 0 | -161.5 | 173 | -170.2 | 0 | 0 | 104.9 | |||||
| 2 | E | 43.2 | Very low | 41.5 | Very low | 193 Ų | 193 | 174.1 Ų | 174.1 | 90% | 0.902 | 87% | 0.867 | S | S | * | * | trans | -117.9 | 119.9 | -179 | -84.3 | -176.8 | 148.8 | 0 | 0 | 107.4 | K4 | E2-K4 PolarHBondContact O-N 2.83Š| ||
| 3 | E | 43 | Very low | 40.7 | Very low | 187 Ų | 187 | 169.8 Ų | 169.8 | 87% | 0.874 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 121.1 | 178.2 | -76.5 | 176 | 127.1 | 0 | 0 | 110.6 | ||
| 4 | K | 44.2 | Very low | 40.4 | Very low | 209 Ų | 209 | 171.1 Ų | 171.1 | 91% | 0.909 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 118.5 | 160.4 | -81.6 | -173.7 | 174.7 | -174.3 | 0 | 108.7 | E2 | E2-K4 PolarHBondContact O-N 2.83Š|
| 5 | Q | 51.4 | Low | 39.8 | Very low | 174 Ų | 174 | 171.4 Ų | 171.4 | 81% | 0.813 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 151.3 | 161 | -72.1 | -167.7 | 19.7 | 0 | 0 | 110.9 | ||
| 6 | P | 49.2 | Very low | 39.2 | Very low | 120 Ų | 120 | 169.9 Ų | 169.9 | 78% | 0.779 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -91 | 145.7 | -167.3 | 35.1 | -32.4 | 0 | 0 | 0 | 113.3 | ||
| 7 | I | 38.6 | Very low | 38.9 | Very low | 157 Ų | 157 | 168.4 Ų | 168.4 | 81% | 0.805 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 121.2 | 169.5 | -68.1 | 164.9 | 0 | 0 | 0 | 108.2 | ||
| 8 | K | 35.1 | Very low | 38.8 | Very low | 189 Ų | 189 | 165.8 Ų | 165.8 | 82% | 0.822 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 124.6 | 166.1 | -77.5 | 179.9 | 175.3 | -177.5 | 0 | 109 | ||
| 9 | T | 32.8 | Very low | 38.4 | Very low | 128 Ų | 128 | 164.8 Ų | 164.8 | 79% | 0.785 | 83% | 0.832 | S | S | * | * | trans | -103.6 | 112.2 | 168.6 | -47.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 10 | E | 35.9 | Very low | 38.2 | Very low | 173 Ų | 173 | 165.9 Ų | 165.9 | 81% | 0.808 | 83% | 0.834 | S | S | * | * | trans | -100.7 | 116.6 | 167 | -73.7 | -179.4 | 177.6 | 0 | 0 | 107.7 | ||||
| 11 | E | 43.9 | Very low | 37.9 | Very low | 185 Ų | 185 | 165.8 Ų | 165.8 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | trans | -73.9 | 150.7 | 162.1 | -74.4 | -169.4 | 147.3 | 0 | 0 | 110 | ||||
| 12 | P | 36.7 | Very low | 37.2 | Very low | 126 Ų | 126 | 161.3 Ų | 161.3 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -114.6 | 137.8 | 148.6 | 29.3 | -15.8 | 0 | 0 | 0 | 112.2 | ||||
| 13 | S | 31.1 | Very low | 36.3 | Very low | 119 Ų | 119 | 158.9 Ų | 158.9 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -47.4 | 148.5 | 175.8 | -164.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 14 | K | 35.6 | Very low | 35.5 | Very low | 188 Ų | 188 | 157 Ų | 157 | 82% | 0.817 | 80% | 0.798 | S | S | * | * | trans | -79.6 | 166.4 | 163 | -63.9 | -179.8 | 177.6 | 178.7 | 0 | 110.6 | ||||
| 15 | E | 31.3 | Very low | 34.7 | Very low | 175 Ų | 175 | 153.3 Ų | 153.3 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 117.7 | 122.4 | 178.2 | -72.6 | 175.6 | -168.1 | 0 | 0 | 108.9 | ||||
| 16 | D | 30 | Very low | 33.5 | Very low | 148 Ų | 148 | 152.1 Ų | 152.1 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | cis | -154.1 | 151.1 | 28.9 | -80.4 | -50.5 | 0 | 0 | 0 | 112.8 | ||||
| 17 | E | 34.8 | Very low | 32.6 | Very low | 144 Ų | 144 | 153 Ų | 153 | 67% | 0.673 | 78% | 0.784 | S | S | * | * | trans | -89.8 | 157.9 | 155.4 | -145.8 | -162.2 | -168 | 0 | 0 | 108.3 | Q19 | E17-Q19 VanDerWaalsContact OE1-CG 3.29Å; E17-Q19 WeakPolarHBondContact OE1-CG 3.49Å | ||
| 18 | P | 36.8 | Very low | 32.2 | Very low | 122 Ų | 122 | 149.6 Ų | 149.6 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | -145.6 | 154.3 | 96.8 | 34.4 | -17.3 | 0 | 0 | 0 | 115.7 | |||||
| 19 | Q | 31.1 | Very low | 31.8 | Very low | 146 Ų | 146 | 148.1 Ų | 148.1 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | trans | -64.7 | 156.4 | 167.7 | -61.2 | 174.8 | -9.6 | 0 | 0 | 113.8 | E17 | E17-Q19 VanDerWaalsContact OE1-CG 3.29Å; E17-Q19 WeakPolarHBondContact OE1-CG 3.49Å | ||
| 20 | Q | 34.6 | Very low | 31.4 | Very low | 186 Ų | 186 | 151 Ų | 151 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | trans | 152.2 | 146.9 | 135.1 | -85.9 | 174.3 | 25.8 | 0 | 0 | 109 | ||||
| 21 | K | 32 | Very low | 31.1 | Very low | 164 Ų | 164 | 147.6 Ų | 147.6 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | cis | -176.1 | 137.6 | -16.9 | -155.3 | -177.7 | -175.6 | -170.4 | 0 | 103.9 | ||||
| 22 | E | 30 | Very low | 30.4 | Very low | 155 Ų | 155 | 148.2 Ų | 148.2 | 72% | 0.724 | 78% | 0.784 | S | S | * | * | trans | 30.3 | 125.7 | 147.1 | -64.3 | 160.3 | 177.1 | 0 | 0 | 120.4 | ||||
| 23 | T | 23.9 | Very low | 30.1 | Very low | 142 Ų | 142 | 148 Ų | 148 | 87% | 0.871 | 79% | 0.786 | S | S | * | * | -177.4 | 137.8 | 106.7 | -66 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 24 | L | 26.1 | Very low | 30 | Very low | 148 Ų | 148 | 152.2 Ų | 152.2 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | trans | -91.1 | 139.9 | -174.5 | 177 | 160.2 | 0 | 0 | 0 | 110.8 | ||||
| 25 | T | 27.1 | Very low | 29.6 | Very low | 131 Ų | 131 | 147.7 Ų | 147.7 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | 175.8 | 104.4 | 151.5 | -52.1 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 26 | H | 27.7 | Very low | 29.5 | Very low | 148 Ų | 148 | 148 Ų | 148 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | 65.1 | 111.7 | 63.8 | -148.4 | -116.9 | 0 | 0 | 0 | 115.9 | |||||
| 27 | L | 30.1 | Very low | 29.4 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 72% | 0.723 | 78% | 0.784 | S | S | * | * | trans | 69.7 | 141.8 | 162.6 | -57 | 167.6 | 0 | 0 | 0 | 115.8 | ||||
| 28 | S | 28.8 | Very low | 29.3 | Very low | 87 Ų | 87 | 147.8 Ų | 147.8 | 61% | 0.608 | 79% | 0.794 | S | S | * | * | cis | -172.7 | 155 | 28.7 | -135.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 29 | L | 28.3 | Very low | 29.1 | Very low | 158 Ų | 158 | 148.4 Ų | 148.4 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | trans | 82.4 | 106.1 | 139.6 | -70.5 | 156.7 | 0 | 0 | 0 | 121.7 | ||||
| 30 | E | 24.3 | Very low | 29.7 | Very low | 187 Ų | 187 | 146.7 Ų | 146.7 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | -42.9 | 139.3 | 136.1 | -74.3 | 166.6 | 132.6 | 0 | 0 | 113 | ||||
| 31 | A | 29.9 | Very low | 29.4 | Very low | 103 Ų | 103 | 143.6 Ų | 143.6 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | trans | -154.8 | 108.9 | 144.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 32 | E | 27.9 | Very low | 29.5 | Very low | 197 Ų | 197 | 142.3 Ų | 142.3 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | trans | -71.9 | 144.2 | 162 | -64 | -172.1 | 139.8 | 0 | 0 | 110.4 | ||||
| 33 | S | 31.2 | Very low | 29.7 | Very low | 122 Ų | 122 | 141.2 Ų | 141.2 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | -153 | 123.7 | 145.8 | 65.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 34 | K | 29.1 | Very low | 30.2 | Very low | 207 Ų | 207 | 142.3 Ų | 142.3 | 90% | 0.9 | 79% | 0.79 | S | S | * | * | trans | -73.1 | 167.2 | 174 | -97.6 | 174.1 | 172.7 | 173.8 | 0 | 113.7 | ||||
| 35 | A | 27.5 | Very low | 30.5 | Very low | 94 Ų | 94 | 141 Ų | 141 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | trans | 87.3 | 147.8 | 152.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 36 | E | 28.7 | Very low | 31 | Very low | 181 Ų | 181 | 143 Ų | 143 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | cis | -174.9 | 141.1 | -19.7 | -179.3 | 167.2 | -173.9 | 0 | 0 | 105.1 | ||||
| 37 | A | 28.3 | Very low | 31.1 | Very low | 83 Ų | 83 | 146.1 Ų | 146.1 | 69% | 0.686 | 79% | 0.794 | S | S | * | * | trans | 24.6 | 126.2 | 161.7 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 38 | K | 31.1 | Very low | 31.6 | Very low | 204 Ų | 204 | 146.3 Ų | 146.3 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | 167.1 | 125.2 | 112.1 | -92.1 | 165.1 | -178.2 | 173.6 | 0 | 112.3 | |||||
| 39 | T | 34.2 | Very low | 31.9 | Very low | 136 Ų | 136 | 146.7 Ų | 146.7 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | trans | -64.2 | 151.7 | 153.4 | -4.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 40 | P | 42.5 | Very low | 32.4 | Very low | 110 Ų | 110 | 146.5 Ų | 146.5 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | -157.9 | 178.3 | 89.1 | 38.5 | -16.4 | 0 | 0 | 0 | 117.1 | |||||
| 41 | V | 29.7 | Very low | 32.9 | Very low | 121 Ų | 121 | 141.5 Ų | 141.5 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | trans | 82.5 | 104 | 154.6 | -172.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 42 | L | 33.8 | Very low | 33.4 | Very low | 136 Ų | 136 | 144.2 Ų | 144.2 | 71% | 0.712 | 79% | 0.787 | S | S | * | * | 69.7 | 105.3 | 93.9 | -165.4 | 80.1 | 0 | 0 | 0 | 113.1 | |||||
| 43 | V | 33.6 | Very low | 34.5 | Very low | 132 Ų | 132 | 144 Ų | 144 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | trans | -128.3 | 102.1 | 155 | 175.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 44 | E | 35 | Very low | 34.8 | Very low | 166 Ų | 166 | 146 Ų | 146 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -66.2 | 140.7 | 156.2 | -79 | 176.9 | 136.4 | 0 | 0 | 108.9 | ||||
| 45 | T | 32.8 | Very low | 35.2 | Very low | 119 Ų | 119 | 144 Ų | 144 | 73% | 0.73 | 78% | 0.777 | S | S | * | * | trans | -135 | 99.4 | 155 | -35.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 46 | Q | 36.2 | Very low | 35.8 | Very low | 174 Ų | 174 | 146.3 Ų | 146.3 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | trans | 38.9 | 104.7 | 142.4 | -78 | 169.7 | -10.2 | 0 | 0 | 119.6 | ||||
| 47 | R | 31.3 | Very low | 36.5 | Very low | 213 Ų | 213 | 146 Ų | 146 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -37.2 | 130.2 | 140.4 | -133.8 | -176.6 | -172 | -174 | 0.8 | 112.6 | D49 | R47-D49 IonicContact CZ-OD1 3.07Å; R47-D49 IonicContact NE-OD1 3.82Å | ||
| 48 | V | 39.2 | Very low | 37.3 | Very low | 142 Ų | 142 | 147.4 Ų | 147.4 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | trans | -114.4 | 113.9 | 153.9 | 175.1 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 49 | D | 35.9 | Very low | 37.8 | Very low | 96 Ų | 96 | 143.5 Ų | 143.5 | 51% | 0.513 | 77% | 0.765 | S | S | . | * | trans | -83.2 | 132.1 | 169.3 | -61.7 | -48.7 | 0 | 0 | 0 | 108.9 | R47 | R47-D49 IonicContact CZ-OD1 3.07Å; R47-D49 IonicContact NE-OD1 3.82Å | ||
| 50 | N | 38.3 | Very low | 38.4 | Very low | 154 Ų | 154 | 144.6 Ų | 144.6 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | 157.6 | 130.1 | 118.4 | -82.6 | -47.5 | 0 | 0 | 0 | 114.7 | |||||
| 51 | A | 35.4 | Very low | 38.5 | Very low | 82 Ų | 82 | 146.2 Ų | 146.2 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | trans | 56.8 | 103.5 | 140.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 52 | N | 39.8 | Very low | 39.5 | Very low | 160 Ų | 160 | 148.1 Ų | 148.1 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | -171.1 | 137.7 | 93.9 | -98.3 | -28.4 | 0 | 0 | 0 | 112 | K54 | N52-K54 PolarHBondContact O-N 3.23Š| |||
| 53 | E | 50.5 | Low | 40.5 | Very low | 191 Ų | 191 | 150.1 Ų | 150.1 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | trans | -50.3 | 117.9 | 168 | -72 | 173.5 | 123.9 | 0 | 0 | 111.2 | ||||
| 54 | K | 36.9 | Very low | 41.4 | Very low | 165 Ų | 165 | 153.6 Ų | 153.6 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | trans | -151.9 | 79.5 | 138 | -133.2 | -176.4 | 177.2 | -147.2 | 0 | 108.4 | N52 E56 | N52-K54 PolarHBondContact O-N 3.23Å; K54-E56 HydrophobicContact CD-CG 4.22Å; K54-E56 HydrophobicContact CG-CG 4.23Å; K54-E56 IonicContact NZ-OE1 3.93Å; K54-E56 PolarHBondContact NZ-OE1 2.84Å; K54-E56 PolarHBondContact O-N 2.88Å | ||
| 55 | L | 39.4 | Very low | 42.5 | Very low | 164 Ų | 164 | 151.3 Ų | 151.3 | 86% | 0.859 | 76% | 0.764 | S | S | * | * | trans | -65.5 | 86.2 | 158 | -159.8 | 84.6 | 0 | 0 | 0 | 105.8 | K57 | L55-K57 PolarHBondContact O-N 2.81Š| ||
| 56 | E | 40.2 | Very low | 44.2 | Very low | 144 Ų | 144 | 148.5 Ų | 148.5 | 67% | 0.673 | 75% | 0.749 | S | S | * | * | trans | -65.5 | 95.8 | 168.6 | -74.5 | -161.8 | 162.8 | 0 | 0 | 107 | K54 | K54-E56 HydrophobicContact CD-CG 4.22Å; K54-E56 HydrophobicContact CG-CG 4.23Å; K54-E56 IonicContact NZ-OE1 3.93Å; K54-E56 PolarHBondContact NZ-OE1 2.84Å; K54-E56 PolarHBondContact O-N 2.88Å | ||
| 57 | K | 43.1 | Very low | 46.1 | Very low | 175 Ų | 175 | 146 Ų | 146 | 76% | 0.761 | 74% | 0.742 | S | S | * | * | trans | -43.6 | 127.9 | 166.7 | -70.8 | 177.7 | 176.3 | -179.7 | 0 | 108 | L55 | L55-K57 PolarHBondContact O-N 2.81Š| ||
| 58 | P | 45.2 | Very low | 48.5 | Very low | 111 Ų | 111 | 143.7 Ų | 143.7 | 72% | 0.721 | 74% | 0.737 | S | S | * | * | trans | -54 | 137.4 | 167.9 | -18.3 | 29.4 | 0 | 0 | 0 | 108 | E60 | P58-E60 PolarHBondContact O-N 2.8Š| ||
| 59 | P | 41.6 | Very low | 50.7 | Low | 123 Ų | 123 | 140.5 Ų | 140.5 | 80% | 0.799 | 72% | 0.715 | S | S | * | * | trans | -59.3 | 106 | 177.3 | 23.1 | -31.5 | 0 | 0 | 0 | 108.7 | N61 | P59-N61 PolarHBondContact O-N 2.84Š| ||
| 60 | E | 45.1 | Very low | 53.1 | Low | 158 Ų | 158 | 140.4 Ų | 140.4 | 74% | 0.738 | 71% | 0.713 | S | S | * | * | trans | -70.4 | 77.4 | 175.2 | -169 | 171.9 | -164.8 | 0 | 0 | 108.1 | P58 | P58-E60 PolarHBondContact O-N 2.8Š| ||
| 61 | N | 46.4 | Very low | 55.6 | Low | 145 Ų | 145 | 136.9 Ų | 136.9 | 78% | 0.775 | 70% | 0.697 | S | S | * | * | trans | -114.2 | 71.2 | 159 | -91.7 | -41.3 | 0 | 0 | 0 | 106.9 | P59 K63 | P59-N61 PolarHBondContact O-N 2.84Å; N61-K63 PolarHBondContact O-N 3.04Å | ||
| 62 | Q | 50.4 | Low | 58.2 | Low | 160 Ų | 160 | 135 Ų | 135 | 75% | 0.748 | 68% | 0.681 | S | S | * | * | trans | -67 | 78 | 162.1 | -63.8 | -176.1 | 31.2 | 0 | 0 | 107.9 | K64 | Q62-K64 VanDerWaalsContact C-N 3.35Å; Q62-K64 PolarHBondContact O-N 2.69Å | ||
| 63 | K | 54 | Low | 60.6 | Low | 179 Ų | 179 | 131 Ų | 131 | 78% | 0.778 | 66% | 0.663 | S | S | * | * | trans | -55.3 | 112.3 | 147.3 | -73.4 | 179.2 | 179.6 | 177.6 | 0 | 103.9 | N61 L65 | N61-K63 PolarHBondContact O-N 3.04Å; K63-L65 PolarHBondContact O-N 3.46Å | ||
| 64 | K | 53 | Low | 62.7 | Low | 204 Ų | 204 | 128.6 Ų | 128.6 | 89% | 0.887 | 65% | 0.649 | S | S | * | * | trans | -52.5 | 93.3 | 165.6 | -72.3 | -179.6 | 178.3 | -179.5 | 0 | 105.7 | Q62 S66 | Q62-K64 VanDerWaalsContact C-N 3.35Å; Q62-K64 PolarHBondContact O-N 2.69Å; K64-S66 PolarHBondContact O-N 3.13Å; K64-S66 VanDerWaalsContact O-N 3.13Å | ||
| 65 | L | 57.1 | Low | 65.4 | Low | 119 Ų | 119 | 125 Ų | 125 | 62% | 0.623 | 64% | 0.637 | S | S | * | * | trans | -55.7 | 122.5 | 172.1 | -85.7 | 163.8 | 0 | 0 | 0 | 104.1 | K63 D67 D69 | K63-L65 PolarHBondContact O-N 3.46Å; L65-D67 PolarHBondContact O-N 3.15Å; L65-D69 HydrophobicContact CB-CB 4.08Å; L65-D69 HydrophobicContact CD2-CB 3.54Å; L65-D69 WeakPolarHBondContact CD2-OD2 3.46Å; L65-D69 HydrophobicContact CG-CB 4.37Å | ||
| 66 | S | 69 | Low | 68.1 | Low | 59 Ų | 59 | 122.4 Ų | 122.4 | 41% | 0.413 | 62% | 0.62 | S | S | . | * | trans | -52.9 | 143.8 | 178.1 | -175.5 | 0 | 0 | 0 | 0 | 107 | K64 K68 D69 M70 | K64-S66 PolarHBondContact O-N 3.13Å; K64-S66 VanDerWaalsContact O-N 3.13Å; S66-K68 CarbonylContact O-C 3.56Å; S66-K68 PolarHBondContact O-N 3.43Å; S66-D69 PolarHBondContact N-OD2 2.73Å; S66-D69 VanDerWaalsContact N-OD2 3.15Å; S66-D69 WeakPolarHBondContact O-CB 3.31Å; S66-D69 PolarHBondContact O-N 3.43Å; S66-M70 PolarHBondContact O-N 2.84Å | ||
| 67 | D | 76.7 | Confident | 70.6 | Confident | 123 Ų | 123 | 118.6 Ų | 118.6 | 66% | 0.658 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -48.4 | -28.3 | 177.7 | -83.5 | -38.4 | 0 | 0 | 0 | 112.2 | L65 M70 V71 | L65-D67 PolarHBondContact O-N 3.15Å; D67-M70 PolarHBondContact O-N 3.46Å; D67-V71 VanDerWaalsContact O-CG2 3.31Å; D67-V71 WeakPolarHBondContact O-CG2 3.39Å; D67-V71 PolarHBondContact O-N 3.22Å; D67-V71 VanDerWaalsContact O-N 3.07Å |
| 68 | K | 80.9 | Confident | 73.1 | Confident | 164 Ų | 164 | 117.6 Ų | 117.6 | 71% | 0.713 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -59 | -42.6 | 172.3 | -60.7 | -178.6 | -178.9 | 179.2 | 0 | 113.7 | S66 V71 A72 | S66-K68 CarbonylContact O-C 3.56Å; S66-K68 PolarHBondContact O-N 3.43Å; K68-V71 PolarHBondContact O-N 3.1Å; K68-A72 WeakPolarHBondContact O-CB 3.48Å; K68-A72 PolarHBondContact O-N 3.4Å |
| 69 | D | 85.1 | Confident | 75.6 | Confident | 74 Ų | 74 | 119 Ų | 119 | 40% | 0.396 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -71.5 | -35.5 | -179.6 | -57.7 | -37.5 | 0 | 0 | 0 | 111.5 | L65 S66 A72 T73 | L65-D69 HydrophobicContact CB-CB 4.08Å; L65-D69 HydrophobicContact CD2-CB 3.54Å; L65-D69 WeakPolarHBondContact CD2-OD2 3.46Å; L65-D69 HydrophobicContact CG-CB 4.37Å; S66-D69 PolarHBondContact N-OD2 2.73Å; S66-D69 VanDerWaalsContact N-OD2 3.15Å; S66-D69 WeakPolarHBondContact O-CB 3.31Å; S66-D69 PolarHBondContact O-N 3.43Å; D69-A72 PolarHBondContact O-N 2.72Å; D69-T73 WeakPolarHBondContact O-CB 3.31Å; D69-T73 PolarHBondContact O-N 2.94Å; D69-T73 PolarHBondContact O-OG1 3.02Å |
| 70 | M | 86.9 | Confident | 78.1 | Confident | 95 Ų | 95 | 122 Ų | 122 | 47% | 0.468 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -67.4 | -41.1 | 174.8 | -174.8 | 169.8 | 57.8 | 0 | 0 | 111.5 | S66 D67 T73 K74 | S66-M70 PolarHBondContact O-N 2.84Å; D67-M70 PolarHBondContact O-N 3.46Å; M70-T73 PolarHBondContact O-N 2.87Å; M70-K74 WeakPolarHBondContact O-CG 3.42Å; M70-K74 PolarHBondContact O-N 3.07Å; M70-K74 VanDerWaalsContact O-N 3.1Å |
| 71 | V | 90 | Very high | 80.5 | Confident | 80 Ų | 80 | 115.5 Ų | 115.5 | 49% | 0.485 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.4 | -43.8 | 174.3 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | D67 K68 T73 K74 I75 | D67-V71 VanDerWaalsContact O-CG2 3.31Å; D67-V71 WeakPolarHBondContact O-CG2 3.39Å; D67-V71 PolarHBondContact O-N 3.22Å; D67-V71 VanDerWaalsContact O-N 3.07Å; K68-V71 PolarHBondContact O-N 3.1Å; V71-T73 VanDerWaalsContact C-N 3.31Å; V71-T73 PolarHBondContact O-N 3.25Å; V71-K74 PolarHBondContact O-N 3.46Å; V71-I75 HydrophobicContact CG1-CD1 3.95Å; V71-I75 WeakPolarHBondContact O-CG1 3.39Å; V71-I75 PolarHBondContact O-N 2.89Å |
| 72 | A | 90.8 | Very high | 82.9 | Confident | 41 Ų | 41 | 109.8 Ų | 109.8 | 34% | 0.339 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.6 | -42.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K68 D69 K74 I75 Q76 | K68-A72 WeakPolarHBondContact O-CB 3.48Å; K68-A72 PolarHBondContact O-N 3.4Å; D69-A72 PolarHBondContact O-N 2.72Å; A72-K74 PolarHBondContact O-N 3.11Å; A72-I75 PolarHBondContact O-N 3.41Å; A72-Q76 WeakPolarHBondContact O-CB 3.32Å; A72-Q76 VanDerWaalsContact O-CG 3.32Å; A72-Q76 WeakPolarHBondContact O-CG 3.46Å; A72-Q76 PolarHBondContact O-N 3.44Å |
| 73 | T | 90.6 | Very high | 85.1 | Confident | 78 Ų | 78 | 107.9 Ų | 107.9 | 48% | 0.479 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63 | -40.8 | 177.3 | -54.7 | 0 | 0 | 0 | 0 | 111.7 | D69 M70 V71 Q76 A77 | D69-T73 WeakPolarHBondContact O-CB 3.31Å; D69-T73 PolarHBondContact O-N 2.94Å; D69-T73 PolarHBondContact O-OG1 3.02Å; M70-T73 PolarHBondContact O-N 2.87Å; V71-T73 VanDerWaalsContact C-N 3.31Å; V71-T73 PolarHBondContact O-N 3.25Å; T73-Q76 PolarHBondContact O-N 3.46Å; T73-A77 VanDerWaalsContact O-CB 3.31Å; T73-A77 WeakPolarHBondContact O-CB 3.34Å; T73-A77 PolarHBondContact O-N 2.93Å |
| 74 | K | 94.3 | Very high | 87.1 | Confident | 139 Ų | 139 | 103.3 Ų | 103.3 | 60% | 0.604 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62 | -44.3 | 174.4 | -74.8 | 178.3 | 179.6 | 176.6 | 0 | 111.9 | M70 V71 A72 A77 W78 | M70-K74 WeakPolarHBondContact O-CG 3.42Å; M70-K74 PolarHBondContact O-N 3.07Å; M70-K74 VanDerWaalsContact O-N 3.1Å; V71-K74 PolarHBondContact O-N 3.46Å; A72-K74 PolarHBondContact O-N 3.11Å; K74-A77 PolarHBondContact O-N 3.47Å; K74-W78 WeakPolarHBondContact O-CB 3.26Å; K74-W78 PolarHBondContact O-N 3.07Å |
| 75 | I | 93.2 | Very high | 89.2 | Confident | 89 Ų | 89 | 101.3 Ų | 101.3 | 46% | 0.456 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.9 | -44.9 | 177.7 | -66.7 | 168 | 0 | 0 | 0 | 110.5 | V71 A72 W78 W79 | V71-I75 HydrophobicContact CG1-CD1 3.95Å; V71-I75 WeakPolarHBondContact O-CG1 3.39Å; V71-I75 PolarHBondContact O-N 2.89Å; A72-I75 PolarHBondContact O-N 3.41Å; I75-W78 PolarHBondContact O-N 3.43Å; I75-W79 VanDerWaalsContact O-CD1 3.27Å; I75-W79 PolarHBondContact O-N 3.46Å |
| 76 | Q | 95.7 | Very high | 91 | Very high | 110 Ų | 110 | 103.7 Ų | 103.7 | 51% | 0.514 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 177.9 | -74 | 177.8 | -21 | 0 | 0 | 112.6 | A72 T73 W78 W79 R80 | A72-Q76 WeakPolarHBondContact O-CB 3.32Å; A72-Q76 VanDerWaalsContact O-CG 3.32Å; A72-Q76 WeakPolarHBondContact O-CG 3.46Å; A72-Q76 PolarHBondContact O-N 3.44Å; T73-Q76 PolarHBondContact O-N 3.46Å; Q76-W78 VanDerWaalsContact C-N 3.32Å; Q76-W78 PolarHBondContact O-N 3.48Å; Q76-W79 PolarHBondContact O-N 3.49Å; Q76-R80 PolarHBondContact O-N 2.96Å |
| 77 | A | 93.9 | Very high | 92.3 | Very high | 65 Ų | 65 | 103.7 Ų | 103.7 | 54% | 0.537 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | T73 K74 R80 G81 | T73-A77 VanDerWaalsContact O-CB 3.31Å; T73-A77 WeakPolarHBondContact O-CB 3.34Å; T73-A77 PolarHBondContact O-N 2.93Å; K74-A77 PolarHBondContact O-N 3.47Å; A77-R80 PolarHBondContact O-N 3.36Å; A77-G81 PolarHBondContact O-N 3.49Å |
| 78 | W | 96.1 | Very high | 93.3 | Very high | 153 Ų | 153 | 103.2 Ų | 103.2 | 58% | 0.58 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.9 | -44.6 | 175.5 | 179 | 79.9 | 0 | 0 | 0 | 112.5 | K74 I75 Q76 G81 T82 | K74-W78 WeakPolarHBondContact O-CB 3.26Å; K74-W78 PolarHBondContact O-N 3.07Å; I75-W78 PolarHBondContact O-N 3.43Å; Q76-W78 VanDerWaalsContact C-N 3.32Å; Q76-W78 PolarHBondContact O-N 3.48Å; W78-G81 PolarHBondContact O-N 2.96Å; W78-T82 WeakPolarHBondContact O-CB 3.47Å; W78-T82 PolarHBondContact O-N 3.43Å; W78-T82 PolarHBondContact O-OG1 2.94Å |
| 79 | W | 96.7 | Very high | 94.1 | Very high | 142 Ų | 142 | 101 Ų | 101 | 54% | 0.538 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.7 | -46 | 176.4 | -87.9 | 106.3 | 0 | 0 | 0 | 112.5 | I75 Q76 G81 T82 L83 | I75-W79 VanDerWaalsContact O-CD1 3.27Å; I75-W79 PolarHBondContact O-N 3.46Å; Q76-W79 PolarHBondContact O-N 3.49Å; W79-G81 PolarHBondContact O-N 3.32Å; W79-T82 PolarHBondContact O-N 3.36Å; W79-L83 WeakPolarHBondContact O-CB 3.44Å; W79-L83 PolarHBondContact O-N 2.89Å |
| 80 | R | 94.9 | Very high | 94.7 | Very high | 185 Ų | 185 | 103.7 Ų | 103.7 | 70% | 0.698 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.7 | -42.6 | 176.5 | -73.3 | -160.4 | 172.1 | 115.8 | 0.1 | 112 | Q76 A77 T82 L83 V84 | Q76-R80 PolarHBondContact O-N 2.96Å; A77-R80 PolarHBondContact O-N 3.36Å; R80-T82 PolarHBondContact O-N 2.96Å; R80-L83 PolarHBondContact O-N 2.85Å; R80-V84 WeakPolarHBondContact O-CG2 3.49Å; R80-V84 PolarHBondContact O-N 2.94Å; R80-V84 VanDerWaalsContact O-N 3.07Å |
| 81 | G | 95.4 | Very high | 95.2 | Very high | 21 Ų | 21 | 101.8 Ų | 101.8 | 22% | 0.216 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -63.7 | -38.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | A77 W78 W79 R85 | A77-G81 PolarHBondContact O-N 3.49Å; W78-G81 PolarHBondContact O-N 2.96Å; W79-G81 PolarHBondContact O-N 3.32Å; G81-R85 WeakPolarHBondContact O-CB 3.45Å; G81-R85 VanDerWaalsContact O-CG 3.26Å; G81-R85 WeakPolarHBondContact O-CG 3.35Å; G81-R85 PolarHBondContact O-N 3.48Å; G81-R85 VanDerWaalsContact O-N 3.11Å; G81-R85 PolarHBondContact O-NH1 2.83Å |
| 82 | T | 95.8 | Very high | 95.5 | Very high | 25 Ų | 25 | 100.8 Ų | 100.8 | 15% | 0.153 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -69.7 | -41 | 178.1 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | W78 W79 R80 R85 R86 | W78-T82 WeakPolarHBondContact O-CB 3.47Å; W78-T82 PolarHBondContact O-N 3.43Å; W78-T82 PolarHBondContact O-OG1 2.94Å; W79-T82 PolarHBondContact O-N 3.36Å; R80-T82 PolarHBondContact O-N 2.96Å; T82-R85 PolarHBondContact O-N 3.24Å; T82-R86 WeakPolarHBondContact O-CG 3.27Å; T82-R86 PolarHBondContact O-N 3.04Å |
| 83 | L | 96.1 | Very high | 95.8 | Very high | 121 Ų | 121 | 104.2 Ų | 104.2 | 63% | 0.634 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.3 | -45 | 178.9 | -160.8 | 149.7 | 0 | 0 | 0 | 111.4 | W79 R80 R86 A87 | W79-L83 WeakPolarHBondContact O-CB 3.44Å; W79-L83 PolarHBondContact O-N 2.89Å; R80-L83 PolarHBondContact O-N 2.85Å; L83-R86 PolarHBondContact O-N 3.43Å; L83-A87 PolarHBondContact O-N 3.39Å |
| 84 | V | 97.4 | Very high | 96.1 | Very high | 83 Ų | 83 | 102.6 Ų | 102.6 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 176 | 173.3 | 0 | 0 | 0 | 0 | 111.8 | R80 R86 A87 L88 | R80-V84 WeakPolarHBondContact O-CG2 3.49Å; R80-V84 PolarHBondContact O-N 2.94Å; R80-V84 VanDerWaalsContact O-N 3.07Å; V84-R86 VanDerWaalsContact C-N 3.35Å; V84-R86 PolarHBondContact O-N 3.46Å; V84-A87 PolarHBondContact O-N 3.05Å; V84-L88 HydrophobicContact CG1-CD1 3.87Å; V84-L88 HydrophobicContact CG1-CG 4.31Å; V84-L88 WeakPolarHBondContact O-CB 3.34Å; V84-L88 WeakPolarHBondContact O-CG 3.3Å; V84-L88 PolarHBondContact O-N 3.41Å |
| 85 | R | 95.8 | Very high | 96.2 | Very high | 162 Ų | 162 | 98 Ų | 98 | 61% | 0.611 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.6 | -41.4 | 177.7 | -75.4 | 179.3 | -171.2 | 107.6 | -2.1 | 112.4 | G81 T82 L88 L89 | G81-R85 WeakPolarHBondContact O-CB 3.45Å; G81-R85 VanDerWaalsContact O-CG 3.26Å; G81-R85 WeakPolarHBondContact O-CG 3.35Å; G81-R85 PolarHBondContact O-N 3.48Å; G81-R85 VanDerWaalsContact O-N 3.11Å; G81-R85 PolarHBondContact O-NH1 2.83Å; T82-R85 PolarHBondContact O-N 3.24Å; R85-L88 PolarHBondContact O-N 2.95Å; R85-L89 WeakPolarHBondContact O-CB 3.41Å; R85-L89 WeakPolarHBondContact O-CG 3.41Å; R85-L89 PolarHBondContact O-N 3.3Å |
| 86 | R | 96.1 | Very high | 96.4 | Very high | 169 Ų | 169 | 96.9 Ų | 96.9 | 64% | 0.638 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.1 | -44 | 175 | -73.3 | 178 | -177.1 | 172.7 | 1.6 | 111.6 | T82 L83 V84 L89 H90 | T82-R86 WeakPolarHBondContact O-CG 3.27Å; T82-R86 PolarHBondContact O-N 3.04Å; L83-R86 PolarHBondContact O-N 3.43Å; V84-R86 VanDerWaalsContact C-N 3.35Å; V84-R86 PolarHBondContact O-N 3.46Å; R86-L89 PolarHBondContact O-N 3.48Å; R86-H90 WeakPolarHBondContact O-CB 3.29Å; R86-H90 PolarHBondContact O-N 2.88Å |
| 87 | A | 96.8 | Very high | 96.5 | Very high | 58 Ų | 58 | 97.3 Ų | 97.3 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L83 V84 H90 A91 | L83-A87 PolarHBondContact O-N 3.39Å; V84-A87 PolarHBondContact O-N 3.05Å; A87-H90 PolarHBondContact O-N 3.48Å; A87-A91 WeakPolarHBondContact O-CB 3.38Å; A87-A91 PolarHBondContact O-N 3.44Å |
| 88 | L | 97.4 | Very high | 96.6 | Very high | 113 Ų | 113 | 98.9 Ų | 98.9 | 59% | 0.592 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.4 | -42.5 | 177 | -75.7 | 171.5 | 0 | 0 | 0 | 112.3 | V84 R85 H90 A91 A92 | V84-L88 HydrophobicContact CG1-CD1 3.87Å; V84-L88 HydrophobicContact CG1-CG 4.31Å; V84-L88 WeakPolarHBondContact O-CB 3.34Å; V84-L88 WeakPolarHBondContact O-CG 3.3Å; V84-L88 PolarHBondContact O-N 3.41Å; R85-L88 PolarHBondContact O-N 2.95Å; L88-H90 VanDerWaalsContact C-N 3.35Å; L88-A91 PolarHBondContact O-N 3.26Å; L88-A92 VanDerWaalsContact O-CB 3.27Å; L88-A92 WeakPolarHBondContact O-CB 3.45Å; L88-A92 PolarHBondContact O-N 2.91Å |
| 89 | L | 97.4 | Very high | 96.7 | Very high | 117 Ų | 117 | 96.9 Ų | 96.9 | 61% | 0.613 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.7 | -44.4 | 175.6 | -76.8 | 172.9 | 0 | 0 | 0 | 111.4 | R85 R86 A92 L93 | R85-L89 WeakPolarHBondContact O-CB 3.41Å; R85-L89 WeakPolarHBondContact O-CG 3.41Å; R85-L89 PolarHBondContact O-N 3.3Å; R86-L89 PolarHBondContact O-N 3.48Å; L89-A92 PolarHBondContact O-N 3.45Å; L89-L93 WeakPolarHBondContact O-CB 3.47Å; L89-L93 WeakPolarHBondContact O-CG 3.35Å; L89-L93 PolarHBondContact O-N 3.32Å |
| 90 | H | 96.7 | Very high | 96.7 | Very high | 132 Ų | 132 | 93.7 Ų | 93.7 | 61% | 0.611 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.7 | -47.1 | 176.5 | -172 | -84.3 | 0 | 0 | 0 | 111.3 | R86 A87 L88 A92 L93 S94 | R86-H90 WeakPolarHBondContact O-CB 3.29Å; R86-H90 PolarHBondContact O-N 2.88Å; A87-H90 PolarHBondContact O-N 3.48Å; L88-H90 VanDerWaalsContact C-N 3.35Å; H90-A92 PolarHBondContact O-N 3.42Å; H90-L93 PolarHBondContact O-N 2.94Å; H90-S94 PolarHBondContact O-N 3.24Å; H90-S94 PolarHBondContact O-OG 3.44Å |
| 91 | A | 97.4 | Very high | 96.9 | Very high | 54 Ų | 54 | 92.1 Ų | 92.1 | 45% | 0.446 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61 | -42.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A87 L88 S94 A95 | A87-A91 WeakPolarHBondContact O-CB 3.38Å; A87-A91 PolarHBondContact O-N 3.44Å; L88-A91 PolarHBondContact O-N 3.26Å; A91-S94 PolarHBondContact O-N 2.89Å; A91-A95 WeakPolarHBondContact O-CB 3.47Å; A91-A95 PolarHBondContact O-N 3.38Å |
| 92 | A | 97.3 | Very high | 97 | Very high | 59 Ų | 59 | 98.2 Ų | 98.2 | 49% | 0.488 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | L88 L89 H90 A95 C96 | L88-A92 VanDerWaalsContact O-CB 3.27Å; L88-A92 WeakPolarHBondContact O-CB 3.45Å; L88-A92 PolarHBondContact O-N 2.91Å; L89-A92 PolarHBondContact O-N 3.45Å; H90-A92 PolarHBondContact O-N 3.42Å; A92-A95 PolarHBondContact O-N 2.9Å; A92-C96 VanDerWaalsContact O-CB 3.29Å; A92-C96 WeakPolarHBondContact O-CB 3.33Å; A92-C96 PolarHBondContact O-N 2.96Å |
| 93 | L | 96.9 | Very high | 97.1 | Very high | 113 Ų | 113 | 105.7 Ų | 105.7 | 59% | 0.592 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65 | -45.2 | 175.2 | -73.6 | 173.6 | 0 | 0 | 0 | 111.6 | L89 H90 A95 C96 I97 | L89-L93 WeakPolarHBondContact O-CB 3.47Å; L89-L93 WeakPolarHBondContact O-CG 3.35Å; L89-L93 PolarHBondContact O-N 3.32Å; H90-L93 PolarHBondContact O-N 2.94Å; L93-A95 VanDerWaalsContact C-N 3.34Å; L93-A95 PolarHBondContact O-N 2.91Å; L93-C96 WeakPolarHBondContact O-CB 3.46Å; L93-C96 PolarHBondContact O-N 3.03Å; L93-I97 WeakPolarHBondContact O-CG1 3.32Å; L93-I97 PolarHBondContact O-N 3.26Å |
| 94 | S | 95.9 | Very high | 97.1 | Very high | 45 Ų | 45 | 104.1 Ų | 104.1 | 32% | 0.315 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.3 | -45.4 | 175.4 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | H90 A91 C96 I97 I98 | H90-S94 PolarHBondContact O-N 3.24Å; H90-S94 PolarHBondContact O-OG 3.44Å; A91-S94 PolarHBondContact O-N 2.89Å; S94-C96 PolarHBondContact O-N 2.87Å; S94-I97 PolarHBondContact O-N 3.42Å; S94-I98 WeakPolarHBondContact O-CG1 3.35Å; S94-I98 PolarHBondContact O-N 3.49Å; S94-I98 VanDerWaalsContact O-N 3.1Å |
| 95 | A | 97.3 | Very high | 97.2 | Very high | 43 Ų | 43 | 102.3 Ų | 102.3 | 36% | 0.355 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A91 A92 L93 I97 I98 Q99 | A91-A95 WeakPolarHBondContact O-CB 3.47Å; A91-A95 PolarHBondContact O-N 3.38Å; A92-A95 PolarHBondContact O-N 2.9Å; L93-A95 VanDerWaalsContact C-N 3.34Å; L93-A95 PolarHBondContact O-N 2.91Å; A95-I97 PolarHBondContact O-N 3.36Å; A95-I98 PolarHBondContact O-N 2.98Å; A95-Q99 WeakPolarHBondContact O-CB 3.36Å; A95-Q99 VanDerWaalsContact O-CG 3.3Å; A95-Q99 WeakPolarHBondContact O-CG 3.33Å; A95-Q99 PolarHBondContact O-N 3.42Å |
| 96 | C | 97.4 | Very high | 97.3 | Very high | 64 Ų | 64 | 99.3 Ų | 99.3 | 43% | 0.432 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 177.4 | -172.9 | 0 | 0 | 0 | 0 | 111.6 | A92 L93 S94 I98 Q99 C100 | A92-C96 VanDerWaalsContact O-CB 3.29Å; A92-C96 WeakPolarHBondContact O-CB 3.33Å; A92-C96 PolarHBondContact O-N 2.96Å; L93-C96 WeakPolarHBondContact O-CB 3.46Å; L93-C96 PolarHBondContact O-N 3.03Å; S94-C96 PolarHBondContact O-N 2.87Å; C96-I98 PolarHBondContact O-N 3.35Å; C96-Q99 PolarHBondContact O-N 3.35Å; C96-C100 WeakPolarHBondContact O-CB 3.49Å; C96-C100 PolarHBondContact O-N 3.39Å; C96-C100 PolarHBondContact O-SG 3.48Å |
| 97 | I | 97.6 | Very high | 97.3 | Very high | 119 Ų | 119 | 93.4 Ų | 93.4 | 61% | 0.61 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.3 | -46.5 | 176.8 | -67.4 | 164.7 | 0 | 0 | 0 | 110.7 | L93 S94 A95 Q99 C100 W101 | L93-I97 WeakPolarHBondContact O-CG1 3.32Å; L93-I97 PolarHBondContact O-N 3.26Å; S94-I97 PolarHBondContact O-N 3.42Å; A95-I97 PolarHBondContact O-N 3.36Å; I97-Q99 PolarHBondContact O-N 2.96Å; I97-C100 PolarHBondContact O-N 2.99Å; I97-W101 WeakPolarHBondContact O-CB 3.29Å; I97-W101 PolarHBondContact O-N 3.32Å |
| 98 | I | 96.8 | Very high | 97.4 | Very high | 99 Ų | 99 | 96.1 Ų | 96.1 | 51% | 0.508 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 179 | -66 | 165.6 | 0 | 0 | 0 | 110.9 | S94 A95 C96 W101 W102 | S94-I98 WeakPolarHBondContact O-CG1 3.35Å; S94-I98 PolarHBondContact O-N 3.49Å; S94-I98 VanDerWaalsContact O-N 3.1Å; A95-I98 PolarHBondContact O-N 2.98Å; C96-I98 PolarHBondContact O-N 3.35Å; I98-W101 PolarHBondContact O-N 3.46Å; I98-W102 PolarHBondContact O-N 3.39Å |
| 99 | Q | 97.5 | Very high | 97.4 | Very high | 111 Ų | 111 | 93.9 Ų | 93.9 | 52% | 0.519 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.7 | -45.2 | 177.9 | -74.3 | 178.1 | -4 | 0 | 0 | 112.1 | A95 C96 I97 W101 W102 R103 | A95-Q99 WeakPolarHBondContact O-CB 3.36Å; A95-Q99 VanDerWaalsContact O-CG 3.3Å; A95-Q99 WeakPolarHBondContact O-CG 3.33Å; A95-Q99 PolarHBondContact O-N 3.42Å; C96-Q99 PolarHBondContact O-N 3.35Å; I97-Q99 PolarHBondContact O-N 2.96Å; Q99-W101 VanDerWaalsContact C-N 3.33Å; Q99-W101 PolarHBondContact O-N 3.48Å; Q99-W102 PolarHBondContact O-N 3.36Å; Q99-R103 WeakPolarHBondContact O-CG 3.37Å; Q99-R103 PolarHBondContact O-N 3.05Å |
| 100 | C | 97.1 | Very high | 97.4 | Very high | 75 Ų | 75 | 93 Ų | 93 | 51% | 0.507 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 176.7 | -73.5 | 0 | 0 | 0 | 0 | 111.5 | C96 I97 R103 L104 | C96-C100 WeakPolarHBondContact O-CB 3.49Å; C96-C100 PolarHBondContact O-N 3.39Å; C96-C100 PolarHBondContact O-SG 3.48Å; I97-C100 PolarHBondContact O-N 2.99Å; C100-R103 PolarHBondContact O-N 3.31Å; C100-L104 PolarHBondContact O-N 2.95Å |
| 101 | W | 98 | Very high | 97.4 | Very high | 151 Ų | 151 | 91.1 Ų | 91.1 | 57% | 0.572 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.5 | -44.2 | 176.7 | -175 | 80.8 | 0 | 0 | 0 | 112.3 | I97 I98 Q99 R103 L104 I105 | I97-W101 WeakPolarHBondContact O-CB 3.29Å; I97-W101 PolarHBondContact O-N 3.32Å; I98-W101 PolarHBondContact O-N 3.46Å; Q99-W101 VanDerWaalsContact C-N 3.33Å; Q99-W101 PolarHBondContact O-N 3.48Å; W101-R103 PolarHBondContact O-N 2.91Å; W101-L104 WeakPolarHBondContact O-CB 3.41Å; W101-L104 PolarHBondContact O-N 3.1Å; W101-I105 HydrophobicContact CD2-CD1 3.53Å; W101-I105 HydrophobicContact CD2-CG1 4.43Å; W101-I105 HydrophobicContact CE3-CD1 3.62Å; W101-I105 HydrophobicContact CG-CD1 4.42Å; W101-I105 HydrophobicContact CH2-CD1 3.25Å; W101-I105 HydrophobicContact CZ2-CD1 3.16Å; W101-I105 HydrophobicContact CZ2-CG1 4.49Å; W101-I105 HydrophobicContact CZ3-CD1 3.48Å; W101-I105 VanDerWaalsContact CZ3-CD1 3.48Å; W101-I105 PolarHBondContact O-N 3.32Å |
| 102 | W | 97.9 | Very high | 97.4 | Very high | 150 Ų | 150 | 95.7 Ų | 95.7 | 57% | 0.568 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.5 | -43.1 | 175.1 | -97.6 | 108.6 | 0 | 0 | 0 | 112.9 | I98 Q99 L104 I105 L106 | I98-W102 PolarHBondContact O-N 3.39Å; Q99-W102 PolarHBondContact O-N 3.36Å; W102-L104 VanDerWaalsContact C-N 3.3Å; W102-L104 PolarHBondContact O-N 2.97Å; W102-I105 PolarHBondContact O-N 3.46Å; W102-L106 WeakPolarHBondContact O-CB 3.41Å; W102-L106 PolarHBondContact O-N 2.97Å |
| 103 | R | 97.6 | Very high | 97.4 | Very high | 181 Ų | 181 | 101.2 Ų | 101.2 | 68% | 0.683 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59.8 | -42.1 | 175.6 | -70.9 | 178.5 | -165.3 | -146.3 | 5.8 | 111.5 | Q99 C100 W101 L106 S107 | Q99-R103 WeakPolarHBondContact O-CG 3.37Å; Q99-R103 PolarHBondContact O-N 3.05Å; C100-R103 PolarHBondContact O-N 3.31Å; W101-R103 PolarHBondContact O-N 2.91Å; R103-L106 PolarHBondContact O-N 2.95Å; R103-S107 PolarHBondContact O-N 2.99Å; R103-S107 PolarHBondContact O-OG 3.39Å |
| 104 | L | 97.7 | Very high | 97.4 | Very high | 89 Ų | 89 | 104.9 Ų | 104.9 | 47% | 0.466 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.3 | -40.1 | 177.1 | -178.8 | 66.6 | 0 | 0 | 0 | 112.4 | C100 W101 W102 S107 K108 | C100-L104 PolarHBondContact O-N 2.95Å; W101-L104 WeakPolarHBondContact O-CB 3.41Å; W101-L104 PolarHBondContact O-N 3.1Å; W102-L104 VanDerWaalsContact C-N 3.3Å; W102-L104 PolarHBondContact O-N 2.97Å; L104-S107 PolarHBondContact O-OG 3.5Å; L104-K108 VanDerWaalsContact O-CG 3.31Å; L104-K108 WeakPolarHBondContact O-CG 3.32Å; L104-K108 PolarHBondContact O-N 3.34Å; L104-K108 VanDerWaalsContact O-N 3.11Å |
| 105 | I | 97.8 | Very high | 97.5 | Very high | 45 Ų | 45 | 109.8 Ų | 109.8 | 23% | 0.231 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -68 | -43.4 | 176.7 | -75.4 | 176.4 | 0 | 0 | 0 | 110.8 | W101 W102 S107 K108 I109 | W101-I105 HydrophobicContact CD2-CD1 3.53Å; W101-I105 HydrophobicContact CD2-CG1 4.43Å; W101-I105 HydrophobicContact CE3-CD1 3.62Å; W101-I105 HydrophobicContact CG-CD1 4.42Å; W101-I105 HydrophobicContact CH2-CD1 3.25Å; W101-I105 HydrophobicContact CZ2-CD1 3.16Å; W101-I105 HydrophobicContact CZ2-CG1 4.49Å; W101-I105 HydrophobicContact CZ3-CD1 3.48Å; W101-I105 VanDerWaalsContact CZ3-CD1 3.48Å; W101-I105 PolarHBondContact O-N 3.32Å; W102-I105 PolarHBondContact O-N 3.46Å; I105-S107 VanDerWaalsContact C-N 3.34Å; I105-S107 PolarHBondContact O-N 2.98Å; I105-K108 PolarHBondContact O-N 3.27Å; I105-I109 HydrophobicContact CG2-CD1 3.68Å; I105-I109 HydrophobicContact CG2-CG1 4.35Å; I105-I109 VanDerWaalsContact O-CG1 3.32Å; I105-I109 WeakPolarHBondContact O-CG1 3Å; I105-I109 PolarHBondContact O-N 3.39Å |
| 106 | L | 97.6 | Very high | 97.5 | Very high | 98 Ų | 98 | 110.6 Ų | 110.6 | 51% | 0.513 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 179.6 | -168 | 66 | 0 | 0 | 0 | 111.2 | W102 R103 K108 I109 L110 | W102-L106 WeakPolarHBondContact O-CB 3.41Å; W102-L106 PolarHBondContact O-N 2.97Å; R103-L106 PolarHBondContact O-N 2.95Å; L106-K108 PolarHBondContact O-N 3.26Å; L106-I109 PolarHBondContact O-N 2.91Å; L106-L110 HydrophobicContact CG-CD1 4.41Å; L106-L110 WeakPolarHBondContact O-CG 3.37Å; L106-L110 PolarHBondContact O-N 3.11Å |
| 107 | S | 97.4 | Very high | 97.4 | Very high | 45 Ų | 45 | 109.7 Ų | 109.7 | 32% | 0.315 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 174.9 | 69 | 0 | 0 | 0 | 0 | 111.7 | R103 L104 I105 I109 L110 E111 | R103-S107 PolarHBondContact O-N 2.99Å; R103-S107 PolarHBondContact O-OG 3.39Å; L104-S107 PolarHBondContact O-OG 3.5Å; I105-S107 VanDerWaalsContact C-N 3.34Å; I105-S107 PolarHBondContact O-N 2.98Å; S107-I109 VanDerWaalsContact C-N 3.34Å; S107-I109 PolarHBondContact O-N 3.49Å; S107-L110 PolarHBondContact O-N 3.43Å; S107-E111 WeakPolarHBondContact O-CB 3.31Å; S107-E111 WeakPolarHBondContact O-CG 3.49Å; S107-E111 PolarHBondContact O-N 3.47Å |
| 108 | K | 97.6 | Very high | 97.4 | Very high | 115 Ų | 115 | 108 Ų | 108 | 50% | 0.5 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.7 | -41.4 | 175.2 | -76.6 | 178 | 179 | -179.9 | 0 | 112.6 | L104 I105 L106 K112 | L104-K108 VanDerWaalsContact O-CG 3.31Å; L104-K108 WeakPolarHBondContact O-CG 3.32Å; L104-K108 PolarHBondContact O-N 3.34Å; L104-K108 VanDerWaalsContact O-N 3.11Å; I105-K108 PolarHBondContact O-N 3.27Å; L106-K108 PolarHBondContact O-N 3.26Å; K108-K112 WeakPolarHBondContact O-CB 3.39Å; K108-K112 VanDerWaalsContact O-CG 3.29Å; K108-K112 WeakPolarHBondContact O-CG 3.39Å; K108-K112 PolarHBondContact O-N 2.95Å |
| 109 | I | 97.7 | Very high | 97.4 | Very high | 67 Ų | 67 | 108.1 Ų | 108.1 | 34% | 0.344 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.1 | -44.8 | 177.9 | -68.2 | 166.8 | 0 | 0 | 0 | 110.3 | I105 L106 S107 K112 R113 | I105-I109 HydrophobicContact CG2-CD1 3.68Å; I105-I109 HydrophobicContact CG2-CG1 4.35Å; I105-I109 VanDerWaalsContact O-CG1 3.32Å; I105-I109 WeakPolarHBondContact O-CG1 3Å; I105-I109 PolarHBondContact O-N 3.39Å; L106-I109 PolarHBondContact O-N 2.91Å; S107-I109 VanDerWaalsContact C-N 3.34Å; S107-I109 PolarHBondContact O-N 3.49Å; I109-K112 PolarHBondContact O-N 3.23Å; I109-R113 WeakPolarHBondContact O-CG 3.46Å; I109-R113 PolarHBondContact O-N 3.25Å |
| 110 | L | 97.6 | Very high | 97.3 | Very high | 98 Ų | 98 | 104.9 Ų | 104.9 | 51% | 0.513 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 177.7 | -72.4 | 173.1 | 0 | 0 | 0 | 112.1 | L106 S107 R113 R114 | L106-L110 HydrophobicContact CG-CD1 4.41Å; L106-L110 WeakPolarHBondContact O-CG 3.37Å; L106-L110 PolarHBondContact O-N 3.11Å; S107-L110 PolarHBondContact O-N 3.43Å; L110-R113 PolarHBondContact O-N 2.86Å; L110-R114 WeakPolarHBondContact O-CB 3.46Å; L110-R114 PolarHBondContact O-N 3.19Å |
| 111 | E | 97.8 | Very high | 97.1 | Very high | 92 Ų | 92 | 107.1 Ų | 107.1 | 43% | 0.43 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.6 | -44 | 175 | -77.9 | -179.3 | -160.6 | 0 | 0 | 112 | S107 R113 R114 R115 | S107-E111 WeakPolarHBondContact O-CB 3.31Å; S107-E111 WeakPolarHBondContact O-CG 3.49Å; S107-E111 PolarHBondContact O-N 3.47Å; E111-R113 PolarHBondContact O-N 3.3Å; E111-R114 PolarHBondContact O-N 3.46Å; E111-R115 WeakPolarHBondContact O-CB 3.49Å; E111-R115 WeakPolarHBondContact O-CG 3.47Å; E111-R115 PolarHBondContact O-N 3.43Å; E111-R115 IonicContact OE2-NH2 3.53Å; E111-R115 PolarHBondContact OE2-NH2 3.23Å; E111-R115 VanDerWaalsContact OE2-NH2 3.07Å |
| 112 | K | 97.4 | Very high | 97 | Very high | 151 Ų | 151 | 106.1 Ų | 106.1 | 66% | 0.657 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.2 | -45.6 | 175.6 | -76 | 178.2 | 178.9 | -171.6 | 0 | 111.6 | K108 I109 R115 A116 | K108-K112 WeakPolarHBondContact O-CB 3.39Å; K108-K112 VanDerWaalsContact O-CG 3.29Å; K108-K112 WeakPolarHBondContact O-CG 3.39Å; K108-K112 PolarHBondContact O-N 2.95Å; I109-K112 PolarHBondContact O-N 3.23Å; K112-R115 PolarHBondContact O-N 2.92Å; K112-A116 WeakPolarHBondContact O-CB 3.42Å; K112-A116 PolarHBondContact O-N 3.03Å |
| 113 | R | 97.1 | Very high | 96.8 | Very high | 175 Ų | 175 | 107.4 Ų | 107.4 | 66% | 0.66 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.8 | -44.8 | 175.9 | -73.1 | 178.6 | 179.9 | -178.9 | -0.1 | 111.6 | I109 L110 E111 A116 A117 | I109-R113 WeakPolarHBondContact O-CG 3.46Å; I109-R113 PolarHBondContact O-N 3.25Å; L110-R113 PolarHBondContact O-N 2.86Å; E111-R113 PolarHBondContact O-N 3.3Å; R113-A116 PolarHBondContact O-N 2.84Å; R113-A117 PolarHBondContact O-N 3.02Å |
| 114 | R | 97.5 | Very high | 96.6 | Very high | 190 Ų | 190 | 105 Ų | 105 | 72% | 0.717 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.1 | -44.7 | 177.6 | -174.4 | 174.7 | -178.8 | 170.9 | 1 | 111.8 | L110 E111 A117 L118 | L110-R114 WeakPolarHBondContact O-CB 3.46Å; L110-R114 PolarHBondContact O-N 3.19Å; E111-R114 PolarHBondContact O-N 3.46Å; R114-A117 PolarHBondContact O-N 3.4Å; R114-L118 HydrophobicContact CG-CD1 4.29Å; R114-L118 WeakPolarHBondContact O-CG 3.29Å; R114-L118 PolarHBondContact O-N 3.38Å |
| 115 | R | 97.7 | Very high | 96.4 | Very high | 148 Ų | 148 | 106.4 Ų | 106.4 | 56% | 0.558 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.5 | -46.1 | 176.5 | -71.8 | 178.3 | -163.4 | 160.8 | 11.4 | 111.5 | E111 K112 A117 L118 E119 | E111-R115 WeakPolarHBondContact O-CB 3.49Å; E111-R115 WeakPolarHBondContact O-CG 3.47Å; E111-R115 PolarHBondContact O-N 3.43Å; E111-R115 IonicContact OE2-NH2 3.53Å; E111-R115 PolarHBondContact OE2-NH2 3.23Å; E111-R115 VanDerWaalsContact OE2-NH2 3.07Å; K112-R115 PolarHBondContact O-N 2.92Å; R115-A117 VanDerWaalsContact C-N 3.32Å; R115-A117 PolarHBondContact O-N 3.44Å; R115-L118 PolarHBondContact O-N 3.03Å; R115-E119 WeakPolarHBondContact O-CG 3.45Å; R115-E119 PolarHBondContact O-N 3.36Å |
| 116 | A | 97 | Very high | 96.3 | Very high | 59 Ų | 59 | 113.5 Ų | 113.5 | 49% | 0.488 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.8 | -41.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K112 R113 E119 A120 | K112-A116 WeakPolarHBondContact O-CB 3.42Å; K112-A116 PolarHBondContact O-N 3.03Å; R113-A116 PolarHBondContact O-N 2.84Å; A116-E119 PolarHBondContact O-N 3.39Å; A116-A120 PolarHBondContact O-N 2.89Å |
| 117 | A | 95.4 | Very high | 96.2 | Very high | 46 Ų | 46 | 111.7 Ų | 111.7 | 38% | 0.38 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.5 | -47 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R113 R114 R115 E119 A120 F121 | R113-A117 PolarHBondContact O-N 3.02Å; R114-A117 PolarHBondContact O-N 3.4Å; R115-A117 VanDerWaalsContact C-N 3.32Å; R115-A117 PolarHBondContact O-N 3.44Å; A117-E119 PolarHBondContact O-N 2.94Å; A117-A120 WeakPolarHBondContact O-CB 3.1Å; A117-A120 PolarHBondContact O-N 3.46Å; A117-F121 HydrophobicContact CB-CE2 4.5Å; A117-F121 WeakPolarHBondContact O-CD2 3.5Å; A117-F121 PolarHBondContact O-N 3.07Å; A117-F121 VanDerWaalsContact O-N 3.14Å |
| 118 | L | 96.8 | Very high | 96.2 | Very high | 83 Ų | 83 | 111.7 Ų | 111.7 | 44% | 0.435 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 176.8 | -70.2 | 171.9 | 0 | 0 | 0 | 112.2 | R114 R115 A120 F121 F122 | R114-L118 HydrophobicContact CG-CD1 4.29Å; R114-L118 WeakPolarHBondContact O-CG 3.29Å; R114-L118 PolarHBondContact O-N 3.38Å; R115-L118 PolarHBondContact O-N 3.03Å; L118-A120 VanDerWaalsContact C-N 3.31Å; L118-A120 PolarHBondContact O-N 2.84Å; L118-F121 PolarHBondContact O-N 3.5Å; L118-F122 HydrophobicContact CB-CD2 4.42Å; L118-F122 HydrophobicContact CB-CE2 4.36Å; L118-F122 WeakPolarHBondContact O-CD2 3.49Å; L118-F122 PolarHBondContact O-N 2.93Å |
| 119 | E | 97.5 | Very high | 96.2 | Very high | 101 Ų | 101 | 110.5 Ų | 110.5 | 47% | 0.472 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.5 | -38.2 | 176.1 | -76 | 177.3 | -154.1 | 0 | 0 | 112.3 | R115 A116 A117 F122 R123 | R115-E119 WeakPolarHBondContact O-CG 3.45Å; R115-E119 PolarHBondContact O-N 3.36Å; A116-E119 PolarHBondContact O-N 3.39Å; A117-E119 PolarHBondContact O-N 2.94Å; E119-F122 PolarHBondContact O-N 3.31Å; E119-R123 WeakPolarHBondContact O-CB 3.43Å; E119-R123 WeakPolarHBondContact O-CG 3.2Å; E119-R123 PolarHBondContact O-N 3.14Å; E119-R123 IonicContact OE2-NH2 2.83Å |
| 120 | A | 94.7 | Very high | 96.1 | Very high | 44 Ų | 44 | 109.7 Ų | 109.7 | 36% | 0.364 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.7 | -49.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A116 A117 L118 F122 R123 E124 | A116-A120 PolarHBondContact O-N 2.89Å; A117-A120 WeakPolarHBondContact O-CB 3.1Å; A117-A120 PolarHBondContact O-N 3.46Å; L118-A120 VanDerWaalsContact C-N 3.31Å; L118-A120 PolarHBondContact O-N 2.84Å; A120-F122 PolarHBondContact O-N 3.2Å; A120-R123 WeakPolarHBondContact O-CB 3.34Å; A120-R123 PolarHBondContact O-N 3.01Å; A120-E124 WeakPolarHBondContact O-CG 3.41Å; A120-E124 PolarHBondContact O-N 2.86Å |
| 121 | F | 93.7 | Very high | 96.1 | Very high | 122 Ų | 122 | 111.1 Ų | 111.1 | 54% | 0.535 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.1 | -46.3 | 176.2 | -68.8 | -61.3 | 0 | 0 | 0 | 112.3 | A117 L118 R123 E124 E125 | A117-F121 HydrophobicContact CB-CE2 4.5Å; A117-F121 WeakPolarHBondContact O-CD2 3.5Å; A117-F121 PolarHBondContact O-N 3.07Å; A117-F121 VanDerWaalsContact O-N 3.14Å; L118-F121 PolarHBondContact O-N 3.5Å; F121-R123 VanDerWaalsContact C-N 3.3Å; F121-R123 PolarHBondContact O-N 3.2Å; F121-E124 PolarHBondContact O-N 3.48Å; F121-E125 WeakPolarHBondContact O-CG 3.33Å; F121-E125 PolarHBondContact O-N 3.48Å |
| 122 | F | 94.9 | Very high | 96 | Very high | 130 Ų | 130 | 111.9 Ų | 111.9 | 57% | 0.57 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -59.9 | -41 | 176.7 | -79.8 | -57.8 | 0 | 0 | 0 | 111.7 | L118 E119 A120 E124 E125 W126 | L118-F122 HydrophobicContact CB-CD2 4.42Å; L118-F122 HydrophobicContact CB-CE2 4.36Å; L118-F122 WeakPolarHBondContact O-CD2 3.49Å; L118-F122 PolarHBondContact O-N 2.93Å; E119-F122 PolarHBondContact O-N 3.31Å; A120-F122 PolarHBondContact O-N 3.2Å; F122-E124 PolarHBondContact O-N 2.83Å; F122-E125 PolarHBondContact O-N 3.5Å; F122-W126 WeakPolarHBondContact O-CB 3.22Å; F122-W126 PolarHBondContact O-N 2.84Å |
| 123 | R | 94.4 | Very high | 96 | Very high | 177 Ų | 177 | 107.6 Ų | 107.6 | 67% | 0.668 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.2 | -43 | 176.8 | -74.9 | 171.9 | -169.2 | -163.4 | 6.8 | 111.8 | E119 A120 F121 W126 A127 | E119-R123 WeakPolarHBondContact O-CB 3.43Å; E119-R123 WeakPolarHBondContact O-CG 3.2Å; E119-R123 PolarHBondContact O-N 3.14Å; E119-R123 IonicContact OE2-NH2 2.83Å; A120-R123 WeakPolarHBondContact O-CB 3.34Å; A120-R123 PolarHBondContact O-N 3.01Å; F121-R123 VanDerWaalsContact C-N 3.3Å; F121-R123 PolarHBondContact O-N 3.2Å; R123-W126 PolarHBondContact O-N 2.9Å; R123-A127 VanDerWaalsContact O-CB 3.22Å; R123-A127 WeakPolarHBondContact O-CB 3.21Å; R123-A127 PolarHBondContact O-N 2.91Å |
| 124 | E | 92.8 | Very high | 96 | Very high | 129 Ų | 129 | 104.9 Ų | 104.9 | 60% | 0.603 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.3 | -48.4 | 177 | -71.3 | 175.5 | -174.7 | 0 | 0 | 111.5 | A120 F121 F122 W126 A127 A128 | A120-E124 WeakPolarHBondContact O-CG 3.41Å; A120-E124 PolarHBondContact O-N 2.86Å; F121-E124 PolarHBondContact O-N 3.48Å; F122-E124 PolarHBondContact O-N 2.83Å; E124-W126 PolarHBondContact O-N 3.34Å; E124-A127 PolarHBondContact O-N 3.19Å; E124-A128 WeakPolarHBondContact O-CB 3.42Å; E124-A128 PolarHBondContact O-N 3.45Å |
| 125 | E | 94.9 | Very high | 96 | Very high | 120 Ų | 120 | 98.5 Ų | 98.5 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.8 | -45.3 | 177 | -71.4 | -176.9 | 170.6 | 0 | 0 | 111.8 | F121 F122 A127 A128 V129 | F121-E125 WeakPolarHBondContact O-CG 3.33Å; F121-E125 PolarHBondContact O-N 3.48Å; F122-E125 PolarHBondContact O-N 3.5Å; E125-A127 VanDerWaalsContact C-N 3.33Å; E125-A127 PolarHBondContact O-N 2.9Å; E125-A128 PolarHBondContact O-N 3.38Å; E125-V129 WeakPolarHBondContact O-CG2 3.34Å; E125-V129 PolarHBondContact O-N 3.45Å |
| 126 | W | 95.9 | Very high | 95.9 | Very high | 194 Ų | 194 | 99.6 Ų | 99.6 | 74% | 0.735 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.4 | -39 | -179.5 | -141.6 | 85.5 | 0 | 0 | 0 | 111.6 | F122 R123 E124 T130 | F122-W126 WeakPolarHBondContact O-CB 3.22Å; F122-W126 PolarHBondContact O-N 2.84Å; R123-W126 PolarHBondContact O-N 2.9Å; E124-W126 PolarHBondContact O-N 3.34Å; W126-T130 VanDerWaalsContact O-CB 3.23Å; W126-T130 WeakPolarHBondContact O-CB 3.29Å; W126-T130 PolarHBondContact O-N 2.95Å; W126-T130 PolarHBondContact O-OG1 2.87Å |
| 127 | A | 95.1 | Very high | 96 | Very high | 60 Ų | 60 | 102.5 Ų | 102.5 | 50% | 0.496 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | R123 E124 E125 T130 L131 | R123-A127 VanDerWaalsContact O-CB 3.22Å; R123-A127 WeakPolarHBondContact O-CB 3.21Å; R123-A127 PolarHBondContact O-N 2.91Å; E124-A127 PolarHBondContact O-N 3.19Å; E125-A127 VanDerWaalsContact C-N 3.33Å; E125-A127 PolarHBondContact O-N 2.9Å; A127-T130 PolarHBondContact O-N 3.4Å; A127-L131 VanDerWaalsContact O-CB 3.29Å; A127-L131 WeakPolarHBondContact O-CB 3.23Å; A127-L131 PolarHBondContact O-N 3.44Å |
| 128 | A | 96.5 | Very high | 96.1 | Very high | 44 Ų | 44 | 108.2 Ų | 108.2 | 36% | 0.364 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.2 | -47 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E124 E125 T130 L131 Q132 | E124-A128 WeakPolarHBondContact O-CB 3.42Å; E124-A128 PolarHBondContact O-N 3.45Å; E125-A128 PolarHBondContact O-N 3.38Å; A128-T130 PolarHBondContact O-N 3.49Å; A128-L131 PolarHBondContact O-N 2.84Å; A128-Q132 WeakPolarHBondContact O-CB 3.35Å; A128-Q132 WeakPolarHBondContact O-CG 3.21Å; A128-Q132 PolarHBondContact O-N 3.43Å |
| 129 | V | 97.3 | Very high | 96.1 | Very high | 91 Ų | 91 | 113.5 Ų | 113.5 | 55% | 0.552 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.6 | -41.7 | 178.7 | 171.3 | 0 | 0 | 0 | 0 | 111 | E125 Q132 S133 | E125-V129 WeakPolarHBondContact O-CG2 3.34Å; E125-V129 PolarHBondContact O-N 3.45Å; V129-Q132 PolarHBondContact O-N 3.39Å; V129-S133 WeakPolarHBondContact O-CB 3.32Å; V129-S133 PolarHBondContact O-N 2.96Å; V129-S133 PolarHBondContact O-OG 3.39Å |
| 130 | T | 96.1 | Very high | 96.1 | Very high | 50 Ų | 50 | 114.3 Ų | 114.3 | 31% | 0.307 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.8 | -47.8 | 176.3 | -60.4 | 0 | 0 | 0 | 0 | 110.3 | W126 A127 A128 Q132 S133 Q134 | W126-T130 VanDerWaalsContact O-CB 3.23Å; W126-T130 WeakPolarHBondContact O-CB 3.29Å; W126-T130 PolarHBondContact O-N 2.95Å; W126-T130 PolarHBondContact O-OG1 2.87Å; A127-T130 PolarHBondContact O-N 3.4Å; A128-T130 PolarHBondContact O-N 3.49Å; T130-Q132 PolarHBondContact O-N 2.86Å; T130-S133 PolarHBondContact O-N 2.81Å; T130-S133 PolarHBondContact O-OG 2.86Å; T130-Q134 HydrophobicContact CG2-CG 4.47Å; T130-Q134 WeakPolarHBondContact O-CB 3.26Å; T130-Q134 VanDerWaalsContact O-CG 3.26Å; T130-Q134 WeakPolarHBondContact O-CG 3.47Å; T130-Q134 PolarHBondContact O-N 3.3Å |
| 131 | L | 96.7 | Very high | 96.2 | Very high | 127 Ų | 127 | 120.6 Ų | 120.6 | 67% | 0.665 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61.6 | -43.8 | 177.6 | -173.8 | 65.1 | 0 | 0 | 0 | 111.9 | A127 A128 Q134 A135 | A127-L131 VanDerWaalsContact O-CB 3.29Å; A127-L131 WeakPolarHBondContact O-CB 3.23Å; A127-L131 PolarHBondContact O-N 3.44Å; A128-L131 PolarHBondContact O-N 2.84Å; L131-Q134 PolarHBondContact O-N 3.4Å; L131-A135 VanDerWaalsContact O-CB 3.32Å; L131-A135 WeakPolarHBondContact O-CB 3.28Å; L131-A135 PolarHBondContact O-N 2.92Å |
| 132 | Q | 97.6 | Very high | 96.4 | Very high | 109 Ų | 109 | 121.4 Ų | 121.4 | 51% | 0.509 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.1 | -44.1 | 177 | -75.6 | 178.3 | 3.4 | 0 | 0 | 112 | A128 V129 T130 A135 R136 | A128-Q132 WeakPolarHBondContact O-CB 3.35Å; A128-Q132 WeakPolarHBondContact O-CG 3.21Å; A128-Q132 PolarHBondContact O-N 3.43Å; V129-Q132 PolarHBondContact O-N 3.39Å; T130-Q132 PolarHBondContact O-N 2.86Å; Q132-A135 PolarHBondContact O-N 3.31Å; Q132-R136 WeakPolarHBondContact O-CB 3.39Å; Q132-R136 VanDerWaalsContact O-CG 3.28Å; Q132-R136 WeakPolarHBondContact O-CG 3.3Å; Q132-R136 PolarHBondContact O-N 3.44Å |
| 133 | S | 95.8 | Very high | 96.5 | Very high | 61 Ų | 61 | 124.1 Ų | 124.1 | 43% | 0.427 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.8 | -41.9 | 178.2 | 71.6 | 0 | 0 | 0 | 0 | 111.7 | V129 T130 R136 M137 | V129-S133 WeakPolarHBondContact O-CB 3.32Å; V129-S133 PolarHBondContact O-N 2.96Å; V129-S133 PolarHBondContact O-OG 3.39Å; T130-S133 PolarHBondContact O-N 2.81Å; T130-S133 PolarHBondContact O-OG 2.86Å; S133-R136 PolarHBondContact O-N 3.38Å; S133-M137 WeakPolarHBondContact O-CB 3.26Å; S133-M137 PolarHBondContact O-N 2.75Å |
| 134 | Q | 97.1 | Very high | 96.7 | Very high | 118 Ų | 118 | 122.8 Ų | 122.8 | 55% | 0.551 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.5 | -44.7 | 174.9 | -70.5 | -65.5 | -15.9 | 0 | 0 | 111.5 | T130 L131 R136 M137 W138 | T130-Q134 HydrophobicContact CG2-CG 4.47Å; T130-Q134 WeakPolarHBondContact O-CB 3.26Å; T130-Q134 VanDerWaalsContact O-CG 3.26Å; T130-Q134 WeakPolarHBondContact O-CG 3.47Å; T130-Q134 PolarHBondContact O-N 3.3Å; L131-Q134 PolarHBondContact O-N 3.4Å; Q134-R136 PolarHBondContact O-N 3.02Å; Q134-M137 PolarHBondContact O-N 3.42Å; Q134-W138 VanDerWaalsContact O-CB 3.26Å; Q134-W138 WeakPolarHBondContact O-CB 3.33Å; Q134-W138 PolarHBondContact O-N 3.36Å |
| 135 | A | 97.3 | Very high | 96.9 | Very high | 55 Ų | 55 | 119 Ų | 119 | 46% | 0.455 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.2 | -42.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L131 Q132 R139 | L131-A135 VanDerWaalsContact O-CB 3.32Å; L131-A135 WeakPolarHBondContact O-CB 3.28Å; L131-A135 PolarHBondContact O-N 2.92Å; Q132-A135 PolarHBondContact O-N 3.31Å; A135-R139 WeakPolarHBondContact O-CB 3.46Å; A135-R139 PolarHBondContact O-N 2.89Å |
| 136 | R | 97.3 | Very high | 97 | Very high | 172 Ų | 172 | 118.1 Ų | 118.1 | 65% | 0.649 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -63.6 | -48 | 175.3 | -72.7 | 175.9 | -174.5 | -172.3 | 4.2 | 111.3 | Q132 S133 Q134 W138 R139 I140 | Q132-R136 WeakPolarHBondContact O-CB 3.39Å; Q132-R136 VanDerWaalsContact O-CG 3.28Å; Q132-R136 WeakPolarHBondContact O-CG 3.3Å; Q132-R136 PolarHBondContact O-N 3.44Å; S133-R136 PolarHBondContact O-N 3.38Å; Q134-R136 PolarHBondContact O-N 3.02Å; R136-W138 PolarHBondContact O-N 3.44Å; R136-R139 PolarHBondContact O-N 3.21Å; R136-I140 WeakPolarHBondContact O-CG1 3.43Å; R136-I140 PolarHBondContact O-N 3.4Å |
| 137 | M | 97.5 | Very high | 97.1 | Very high | 120 Ų | 120 | 113 Ų | 113 | 59% | 0.591 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -58.7 | -47.6 | 176.5 | 179.2 | 61.8 | 75.9 | 0 | 0 | 111.5 | S133 Q134 R139 I140 R141 | S133-M137 WeakPolarHBondContact O-CB 3.26Å; S133-M137 PolarHBondContact O-N 2.75Å; Q134-M137 PolarHBondContact O-N 3.42Å; M137-R139 PolarHBondContact O-N 2.94Å; M137-I140 PolarHBondContact O-N 2.84Å; M137-R141 WeakPolarHBondContact O-CB 3.28Å; M137-R141 PolarHBondContact O-N 3.35Å |
| 138 | W | 97.6 | Very high | 97.2 | Very high | 165 Ų | 165 | 112.5 Ų | 112.5 | 63% | 0.625 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62 | -42.7 | -179.6 | -176.1 | 80.7 | 0 | 0 | 0 | 112.2 | Q134 R136 I140 R141 R142 | Q134-W138 VanDerWaalsContact O-CB 3.26Å; Q134-W138 WeakPolarHBondContact O-CB 3.33Å; Q134-W138 PolarHBondContact O-N 3.36Å; R136-W138 PolarHBondContact O-N 3.44Å; W138-I140 PolarHBondContact O-N 2.8Å; W138-R141 PolarHBondContact O-N 3.49Å; W138-R142 VanDerWaalsContact O-CB 3.3Å; W138-R142 WeakPolarHBondContact O-CB 3.39Å; W138-R142 PolarHBondContact O-N 3.34Å |
| 139 | R | 97.3 | Very high | 97.3 | Very high | 195 Ų | 195 | 114.5 Ų | 114.5 | 74% | 0.736 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -58.8 | -46.5 | 176.7 | -174.6 | -176.8 | -68.3 | -176 | -1.9 | 111.7 | A135 R136 M137 R143 | A135-R139 WeakPolarHBondContact O-CB 3.46Å; A135-R139 PolarHBondContact O-N 2.89Å; R136-R139 PolarHBondContact O-N 3.21Å; M137-R139 PolarHBondContact O-N 2.94Å; R139-R143 PolarHBondContact O-N 3.27Å; R139-R143 VanDerWaalsContact O-N 3.13Å |
| 140 | I | 97.3 | Very high | 97.3 | Very high | 117 Ų | 117 | 112.4 Ų | 112.4 | 60% | 0.6 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.9 | -48.8 | 178.9 | -64.8 | 167.5 | 0 | 0 | 0 | 110.1 | R136 M137 W138 R142 R143 Y144 | R136-I140 WeakPolarHBondContact O-CG1 3.43Å; R136-I140 PolarHBondContact O-N 3.4Å; M137-I140 PolarHBondContact O-N 2.84Å; W138-I140 PolarHBondContact O-N 2.8Å; I140-R142 VanDerWaalsContact C-N 3.34Å; I140-R142 PolarHBondContact O-N 3.38Å; I140-R143 PolarHBondContact O-N 2.87Å; I140-Y144 WeakPolarHBondContact O-CB 3.45Å; I140-Y144 PolarHBondContact O-N 3.29Å |
| 141 | R | 97.3 | Very high | 97.3 | Very high | 177 Ų | 177 | 112.9 Ų | 112.9 | 67% | 0.668 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.7 | -43.2 | 179.8 | -170.8 | 172 | -177.6 | 179.9 | 0.6 | 111.8 | M137 W138 R143 Y144 C145 | M137-R141 WeakPolarHBondContact O-CB 3.28Å; M137-R141 PolarHBondContact O-N 3.35Å; W138-R141 PolarHBondContact O-N 3.49Å; R141-R143 PolarHBondContact O-N 3.36Å; R141-Y144 PolarHBondContact O-N 3.19Å; R141-C145 WeakPolarHBondContact O-CB 3.4Å; R141-C145 PolarHBondContact O-N 3.13Å; R141-C145 PolarHBondContact O-SG 3.49Å |
| 142 | R | 97.4 | Very high | 97.4 | Very high | 139 Ų | 139 | 113.8 Ų | 113.8 | 53% | 0.525 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.3 | -47.8 | 176 | -174.9 | 177.5 | -177.8 | -135.9 | 1.2 | 111.2 | W138 I140 C145 Q146 | W138-R142 VanDerWaalsContact O-CB 3.3Å; W138-R142 WeakPolarHBondContact O-CB 3.39Å; W138-R142 PolarHBondContact O-N 3.34Å; I140-R142 VanDerWaalsContact C-N 3.34Å; I140-R142 PolarHBondContact O-N 3.38Å; R142-C145 PolarHBondContact O-N 3.39Å; R142-Q146 VanDerWaalsContact O-CG 3.28Å; R142-Q146 WeakPolarHBondContact O-CG 3.42Å; R142-Q146 PolarHBondContact O-N 3.06Å |
| 143 | R | 97.4 | Very high | 97.3 | Very high | 186 Ų | 186 | 114.3 Ų | 114.3 | 70% | 0.702 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.5 | -42.4 | 179.1 | -171.3 | 162.7 | -176.4 | -178 | -0.6 | 112 | R139 I140 R141 Q146 V147 | R139-R143 PolarHBondContact O-N 3.27Å; R139-R143 VanDerWaalsContact O-N 3.13Å; I140-R143 PolarHBondContact O-N 2.87Å; R141-R143 PolarHBondContact O-N 3.36Å; R143-Q146 PolarHBondContact O-N 2.99Å; R143-V147 WeakPolarHBondContact O-CG2 3.3Å; R143-V147 PolarHBondContact O-N 2.9Å |
| 144 | Y | 97.9 | Very high | 97.3 | Very high | 149 Ų | 149 | 116.6 Ų | 116.6 | 58% | 0.584 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -59.7 | -49.2 | 174.7 | 175.4 | -98.4 | 0 | 0 | 0 | 111.7 | I140 R141 Q146 V147 L148 | I140-Y144 WeakPolarHBondContact O-CB 3.45Å; I140-Y144 PolarHBondContact O-N 3.29Å; R141-Y144 PolarHBondContact O-N 3.19Å; Y144-Q146 VanDerWaalsContact C-N 3.32Å; Y144-Q146 PolarHBondContact O-N 3.2Å; Y144-V147 PolarHBondContact O-N 3.4Å; Y144-L148 HydrophobicContact CE1-CD2 3.95Å; Y144-L148 VanDerWaalsContact O-CB 3.3Å; Y144-L148 WeakPolarHBondContact O-CB 3.3Å; Y144-L148 PolarHBondContact O-N 3.4Å |
| 145 | C | 97.2 | Very high | 97.3 | Very high | 50 Ų | 50 | 115.5 Ų | 115.5 | 34% | 0.338 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.1 | -38.2 | 178 | -70.7 | 0 | 0 | 0 | 0 | 112.5 | R141 R142 L148 N149 | R141-C145 WeakPolarHBondContact O-CB 3.4Å; R141-C145 PolarHBondContact O-N 3.13Å; R141-C145 PolarHBondContact O-SG 3.49Å; R142-C145 PolarHBondContact O-N 3.39Å; C145-L148 PolarHBondContact O-N 2.88Å; C145-N149 VanDerWaalsContact O-CB 3.3Å; C145-N149 WeakPolarHBondContact O-CB 3.32Å; C145-N149 VanDerWaalsContact O-CG 3.23Å; C145-N149 PolarHBondContact O-N 3.48Å |
| 146 | Q | 97.8 | Very high | 97.1 | Very high | 102 Ų | 102 | 115.3 Ų | 115.3 | 48% | 0.477 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.1 | -49.6 | 175.1 | -76.9 | 172.7 | -14.1 | 0 | 0 | 111.7 | R142 R143 Y144 N149 A150 | R142-Q146 VanDerWaalsContact O-CG 3.28Å; R142-Q146 WeakPolarHBondContact O-CG 3.42Å; R142-Q146 PolarHBondContact O-N 3.06Å; R143-Q146 PolarHBondContact O-N 2.99Å; Y144-Q146 VanDerWaalsContact C-N 3.32Å; Y144-Q146 PolarHBondContact O-N 3.2Å; Q146-N149 PolarHBondContact O-N 2.87Å; Q146-A150 PolarHBondContact O-N 2.97Å |
| 147 | V | 97.8 | Very high | 97 | Very high | 85 Ų | 85 | 115 Ų | 115 | 52% | 0.515 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.7 | -44.8 | 178 | 174.3 | 0 | 0 | 0 | 0 | 110.6 | R143 Y144 N149 A150 V151 | R143-V147 WeakPolarHBondContact O-CG2 3.3Å; R143-V147 PolarHBondContact O-N 2.9Å; Y144-V147 PolarHBondContact O-N 3.4Å; V147-N149 VanDerWaalsContact C-N 3.32Å; V147-N149 PolarHBondContact O-N 3.3Å; V147-A150 PolarHBondContact O-N 3.32Å; V147-V151 HydrophobicContact CG1-CG2 4.29Å; V147-V151 VanDerWaalsContact O-CG2 3.32Å; V147-V151 WeakPolarHBondContact O-CG2 3.46Å; V147-V151 PolarHBondContact O-N 3.45Å |
| 148 | L | 97.6 | Very high | 96.8 | Very high | 50 Ų | 50 | 117.6 Ų | 117.6 | 26% | 0.262 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.8 | -42.2 | 179 | -175.6 | 65.1 | 0 | 0 | 0 | 111.8 | Y144 C145 V151 R152 | Y144-L148 HydrophobicContact CE1-CD2 3.95Å; Y144-L148 VanDerWaalsContact O-CB 3.3Å; Y144-L148 WeakPolarHBondContact O-CB 3.3Å; Y144-L148 PolarHBondContact O-N 3.4Å; C145-L148 PolarHBondContact O-N 2.88Å; L148-V151 PolarHBondContact O-N 2.88Å; L148-R152 WeakPolarHBondContact O-CB 3.33Å; L148-R152 VanDerWaalsContact O-CG 3.3Å; L148-R152 WeakPolarHBondContact O-CG 3.46Å; L148-R152 PolarHBondContact O-N 2.9Å |
| 149 | N | 97.2 | Very high | 96.4 | Very high | 87 Ų | 87 | 117.5 Ų | 117.5 | 47% | 0.465 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 175.6 | -76.7 | -11.1 | 0 | 0 | 0 | 111.4 | C145 Q146 V147 V151 R152 I153 | C145-N149 VanDerWaalsContact O-CB 3.3Å; C145-N149 WeakPolarHBondContact O-CB 3.32Å; C145-N149 VanDerWaalsContact O-CG 3.23Å; C145-N149 PolarHBondContact O-N 3.48Å; Q146-N149 PolarHBondContact O-N 2.87Å; V147-N149 VanDerWaalsContact C-N 3.32Å; V147-N149 PolarHBondContact O-N 3.3Å; N149-V151 PolarHBondContact O-N 2.84Å; N149-R152 PolarHBondContact O-N 3.26Å; N149-I153 VanDerWaalsContact O-CG1 3.31Å; N149-I153 WeakPolarHBondContact O-CG1 3.42Å; N149-I153 PolarHBondContact O-N 2.86Å |
| 150 | A | 97.5 | Very high | 95.8 | Very high | 47 Ų | 47 | 112.4 Ų | 112.4 | 39% | 0.388 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60 | -45.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q146 V147 R152 I153 I154 | Q146-A150 PolarHBondContact O-N 2.97Å; V147-A150 PolarHBondContact O-N 3.32Å; A150-R152 VanDerWaalsContact C-N 3.35Å; A150-R152 PolarHBondContact O-N 3.27Å; A150-I153 PolarHBondContact O-N 3.43Å; A150-I154 WeakPolarHBondContact O-CG1 3.31Å; A150-I154 PolarHBondContact O-N 3.43Å |
| 151 | V | 97.7 | Very high | 95.2 | Very high | 59 Ų | 59 | 114.7 Ų | 114.7 | 36% | 0.358 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.4 | -44.1 | 176.4 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | V147 L148 N149 I153 I154 Q155 | V147-V151 HydrophobicContact CG1-CG2 4.29Å; V147-V151 VanDerWaalsContact O-CG2 3.32Å; V147-V151 WeakPolarHBondContact O-CG2 3.46Å; V147-V151 PolarHBondContact O-N 3.45Å; L148-V151 PolarHBondContact O-N 2.88Å; N149-V151 PolarHBondContact O-N 2.84Å; V151-I153 PolarHBondContact O-N 3.45Å; V151-I154 PolarHBondContact O-N 2.85Å; V151-Q155 HydrophobicContact CG1-CG 4.21Å; V151-Q155 WeakPolarHBondContact O-CB 3.48Å; V151-Q155 VanDerWaalsContact O-CG 3.26Å; V151-Q155 WeakPolarHBondContact O-CG 3.3Å; V151-Q155 PolarHBondContact O-N 3.43Å |
| 152 | R | 97 | Very high | 94.3 | Very high | 146 Ų | 146 | 107.4 Ų | 107.4 | 55% | 0.551 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.8 | -42.6 | 177 | -76.9 | 173.8 | 175.5 | 177.4 | -3.1 | 112.1 | L148 N149 A150 Q155 A156 | L148-R152 WeakPolarHBondContact O-CB 3.33Å; L148-R152 VanDerWaalsContact O-CG 3.3Å; L148-R152 WeakPolarHBondContact O-CG 3.46Å; L148-R152 PolarHBondContact O-N 2.9Å; N149-R152 PolarHBondContact O-N 3.26Å; A150-R152 VanDerWaalsContact C-N 3.35Å; A150-R152 PolarHBondContact O-N 3.27Å; R152-Q155 PolarHBondContact O-N 3.46Å; R152-A156 VanDerWaalsContact O-CB 3.3Å; R152-A156 WeakPolarHBondContact O-CB 3.3Å; R152-A156 PolarHBondContact O-N 2.98Å |
| 153 | I | 96.4 | Very high | 93 | Very high | 121 Ų | 121 | 105.3 Ų | 105.3 | 62% | 0.621 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.3 | -48.1 | 176.6 | -67.8 | 165.1 | 0 | 0 | 0 | 110.4 | N149 A150 V151 Q155 A156 Y157 | N149-I153 VanDerWaalsContact O-CG1 3.31Å; N149-I153 WeakPolarHBondContact O-CG1 3.42Å; N149-I153 PolarHBondContact O-N 2.86Å; A150-I153 PolarHBondContact O-N 3.43Å; V151-I153 PolarHBondContact O-N 3.45Å; I153-Q155 VanDerWaalsContact C-N 3.34Å; I153-Q155 PolarHBondContact O-N 3.28Å; I153-A156 PolarHBondContact O-N 2.92Å; I153-Y157 WeakPolarHBondContact O-CB 3.38Å; I153-Y157 PolarHBondContact O-N 3.48Å |
| 154 | I | 95.8 | Very high | 91.7 | Very high | 109 Ų | 109 | 99.7 Ų | 99.7 | 56% | 0.559 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.8 | -45.7 | 178.7 | -66.9 | 165.9 | 0 | 0 | 0 | 110.5 | A150 V151 A156 Y157 W158 | A150-I154 WeakPolarHBondContact O-CG1 3.31Å; A150-I154 PolarHBondContact O-N 3.43Å; V151-I154 PolarHBondContact O-N 2.85Å; I154-A156 PolarHBondContact O-N 3.3Å; I154-Y157 PolarHBondContact O-N 2.9Å; I154-W158 WeakPolarHBondContact O-CB 3.26Å; I154-W158 PolarHBondContact O-N 3.42Å |
| 155 | Q | 96.5 | Very high | 90.3 | Very high | 95 Ų | 95 | 96.4 Ų | 96.4 | 44% | 0.444 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.5 | -40.6 | 177.9 | -75.6 | 179.7 | -9.4 | 0 | 0 | 112.4 | V151 R152 I153 W158 R159 | V151-Q155 HydrophobicContact CG1-CG 4.21Å; V151-Q155 WeakPolarHBondContact O-CB 3.48Å; V151-Q155 VanDerWaalsContact O-CG 3.26Å; V151-Q155 WeakPolarHBondContact O-CG 3.3Å; V151-Q155 PolarHBondContact O-N 3.43Å; R152-Q155 PolarHBondContact O-N 3.46Å; I153-Q155 VanDerWaalsContact C-N 3.34Å; I153-Q155 PolarHBondContact O-N 3.28Å; Q155-W158 PolarHBondContact O-N 2.82Å; Q155-R159 WeakPolarHBondContact O-CB 3.35Å; Q155-R159 WeakPolarHBondContact O-CG 3.27Å; Q155-R159 PolarHBondContact O-N 3.34Å |
| 156 | A | 94.7 | Very high | 89.1 | Confident | 51 Ų | 51 | 103.1 Ų | 103.1 | 42% | 0.421 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.4 | -46.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | R152 I153 I154 W158 R159 C160 | R152-A156 VanDerWaalsContact O-CB 3.3Å; R152-A156 WeakPolarHBondContact O-CB 3.3Å; R152-A156 PolarHBondContact O-N 2.98Å; I153-A156 PolarHBondContact O-N 2.92Å; I154-A156 PolarHBondContact O-N 3.3Å; A156-W158 VanDerWaalsContact C-N 3.32Å; A156-W158 PolarHBondContact O-N 3.41Å; A156-R159 PolarHBondContact O-N 2.83Å; A156-C160 WeakPolarHBondContact O-CB 3.38Å; A156-C160 PolarHBondContact O-N 3.28Å; A156-C160 PolarHBondContact O-SG 3.03Å |
| 157 | Y | 93.6 | Very high | 87.9 | Confident | 165 Ų | 165 | 99.5 Ų | 99.5 | 65% | 0.647 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -58.1 | -45.2 | 175.5 | -176.8 | -98.4 | 0 | 0 | 0 | 111.7 | I153 I154 C160 R161 | I153-Y157 WeakPolarHBondContact O-CB 3.38Å; I153-Y157 PolarHBondContact O-N 3.48Å; I154-Y157 PolarHBondContact O-N 2.9Å; Y157-C160 PolarHBondContact O-N 3.4Å; Y157-R161 VanDerWaalsContact O-CB 3.27Å; Y157-R161 WeakPolarHBondContact O-CB 3.23Å; Y157-R161 PolarHBondContact O-N 2.89Å |
| 158 | W | 93.1 | Very high | 87 | Confident | 175 Ų | 175 | 101.2 Ų | 101.2 | 66% | 0.663 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.2 | -39.7 | 179.7 | -143.8 | 87.9 | 0 | 0 | 0 | 112.4 | I154 Q155 A156 S162 | I154-W158 WeakPolarHBondContact O-CB 3.26Å; I154-W158 PolarHBondContact O-N 3.42Å; Q155-W158 PolarHBondContact O-N 2.82Å; A156-W158 VanDerWaalsContact C-N 3.32Å; A156-W158 PolarHBondContact O-N 3.41Å; W158-S162 WeakPolarHBondContact CZ3-OG 3.32Å; W158-S162 VanDerWaalsContact O-CB 3.32Å; W158-S162 WeakPolarHBondContact O-CB 3.5Å; W158-S162 PolarHBondContact O-N 3.22Å; W158-S162 PolarHBondContact O-OG 3.49Å |
| 159 | R | 90.3 | Very high | 86.3 | Confident | 162 Ų | 162 | 104.2 Ų | 104.2 | 61% | 0.611 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64 | -49.5 | 173.4 | -78.6 | -173.7 | 169.9 | 96.9 | 0.3 | 111.5 | Q155 A156 R161 S162 C163 | Q155-R159 WeakPolarHBondContact O-CB 3.35Å; Q155-R159 WeakPolarHBondContact O-CG 3.27Å; Q155-R159 PolarHBondContact O-N 3.34Å; A156-R159 PolarHBondContact O-N 2.83Å; R159-R161 VanDerWaalsContact C-N 3.32Å; R159-R161 PolarHBondContact O-N 3.45Å; R159-S162 PolarHBondContact O-N 3.42Å; R159-C163 WeakPolarHBondContact O-CB 3.34Å; R159-C163 PolarHBondContact O-N 3.22Å; R159-C163 PolarHBondContact O-SG 3.49Å; R159-C163 VanDerWaalsContact O-SG 3.33Å |
| 160 | C | 85.1 | Confident | 85.8 | Confident | 88 Ų | 88 | 104.8 Ų | 104.8 | 60% | 0.595 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.5 | -43.2 | 176.7 | -71 | 0 | 0 | 0 | 0 | 111.5 | A156 Y157 S162 C163 A164 | A156-C160 WeakPolarHBondContact O-CB 3.38Å; A156-C160 PolarHBondContact O-N 3.28Å; A156-C160 PolarHBondContact O-SG 3.03Å; Y157-C160 PolarHBondContact O-N 3.4Å; C160-S162 PolarHBondContact O-N 2.88Å; C160-C163 PolarHBondContact O-N 2.92Å; C160-A164 VanDerWaalsContact O-CB 3.23Å; C160-A164 WeakPolarHBondContact O-CB 3.16Å; C160-A164 PolarHBondContact O-N 3.42Å |
| 161 | R | 83.4 | Confident | 85.3 | Confident | 165 Ų | 165 | 104.7 Ų | 104.7 | 62% | 0.623 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.1 | -40.5 | 176.9 | -175.4 | 61 | 174.7 | 171.8 | 0.7 | 112.2 | Y157 R159 A164 S165 | Y157-R161 VanDerWaalsContact O-CB 3.27Å; Y157-R161 WeakPolarHBondContact O-CB 3.23Å; Y157-R161 PolarHBondContact O-N 2.89Å; R159-R161 VanDerWaalsContact C-N 3.32Å; R159-R161 PolarHBondContact O-N 3.45Å; R161-A164 PolarHBondContact O-N 3.33Å; R161-S165 PolarHBondContact O-N 3.11Å; R161-S165 PolarHBondContact O-OG 2.85Å |
| 162 | S | 78.8 | Confident | 84.9 | Confident | 25 Ų | 25 | 106.7 Ų | 106.7 | 18% | 0.175 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -69.4 | -37.5 | 178 | -60.8 | 0 | 0 | 0 | 0 | 112.6 | W158 R159 C160 S165 R166 | W158-S162 WeakPolarHBondContact CZ3-OG 3.32Å; W158-S162 VanDerWaalsContact O-CB 3.32Å; W158-S162 WeakPolarHBondContact O-CB 3.5Å; W158-S162 PolarHBondContact O-N 3.22Å; W158-S162 PolarHBondContact O-OG 3.49Å; R159-S162 PolarHBondContact O-N 3.42Å; C160-S162 PolarHBondContact O-N 2.88Å; S162-S165 PolarHBondContact O-OG 2.8Å; S162-S165 VanDerWaalsContact O-OG 3.11Å; S162-R166 VanDerWaalsContact O-CB 3.3Å; S162-R166 WeakPolarHBondContact O-CB 3.3Å; S162-R166 WeakPolarHBondContact O-CD 3.46Å; S162-R166 WeakPolarHBondContact O-CG 3.43Å; S162-R166 PolarHBondContact O-N 2.91Å; S162-R166 VanDerWaalsContact O-N 3.1Å |
| 163 | C | 69.8 | Low | 84.4 | Confident | 94 Ų | 94 | 108 Ų | 108 | 64% | 0.635 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -72.1 | -35.2 | 173.5 | -66.8 | 0 | 0 | 0 | 0 | 111.8 | R159 C160 R166 | R159-C163 WeakPolarHBondContact O-CB 3.34Å; R159-C163 PolarHBondContact O-N 3.22Å; R159-C163 PolarHBondContact O-SG 3.49Å; R159-C163 VanDerWaalsContact O-SG 3.33Å; C160-C163 PolarHBondContact O-N 2.92Å; C163-R166 CarbonylContact O-C 3.57Å; C163-R166 PolarHBondContact O-N 2.62Å |
| 164 | A | 71.6 | Confident | 84 | Confident | 69 Ų | 69 | 110.7 Ų | 110.7 | 57% | 0.57 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -70.1 | -31.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | C160 R161 | C160-A164 VanDerWaalsContact O-CB 3.23Å; C160-A164 WeakPolarHBondContact O-CB 3.16Å; C160-A164 PolarHBondContact O-N 3.42Å; R161-A164 PolarHBondContact O-N 3.33Å |
| 165 | S | 67.4 | Low | 83.6 | Confident | 80 Ų | 80 | 109.9 Ų | 109.9 | 56% | 0.559 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -81.2 | -27.8 | 174.9 | 62.8 | 0 | 0 | 0 | 0 | 113.3 | R161 S162 G167 | R161-S165 PolarHBondContact O-N 3.11Å; R161-S165 PolarHBondContact O-OG 2.85Å; S162-S165 PolarHBondContact O-OG 2.8Å; S162-S165 VanDerWaalsContact O-OG 3.11Å; S165-G167 PolarHBondContact O-N 3.34Å |
| 166 | R | 72.9 | Confident | 83 | Confident | 191 Ų | 191 | 108 Ų | 108 | 72% | 0.721 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -89 | 91.1 | 173.9 | -66.7 | 173.7 | -174.1 | -163.5 | 0.6 | 108.3 | S162 C163 | S162-R166 VanDerWaalsContact O-CB 3.3Å; S162-R166 WeakPolarHBondContact O-CB 3.3Å; S162-R166 WeakPolarHBondContact O-CD 3.46Å; S162-R166 WeakPolarHBondContact O-CG 3.43Å; S162-R166 PolarHBondContact O-N 2.91Å; S162-R166 VanDerWaalsContact O-N 3.1Å; C163-R166 CarbonylContact O-C 3.57Å; C163-R166 PolarHBondContact O-N 2.62Å |
| 167 | G | 72.8 | Confident | 82.2 | Confident | 25 Ų | 25 | 109 Ų | 109 | 26% | 0.258 | 54% | 0.542 | S | S | . | . | trans | -48.8 | 147.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S165 L187 | S165-G167 PolarHBondContact O-N 3.34Å; G167-L187 CarbonylContact C-O 3.52Å; G167-L187 WeakPolarHBondContact CA-O 3.32Å | ||
| 168 | F | 77.8 | Confident | 81.5 | Confident | 121 Ų | 121 | 106.5 Ų | 106.5 | 53% | 0.531 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 145.1 | -179.1 | 74.6 | -94.7 | 0 | 0 | 0 | 110.7 | K170 L187 | F168-K170 HydrophobicContact CD2-CB 4.46Å; F168-K170 HydrophobicContact CE2-CB 4.32Å; F168-L187 HydrophobicContact CD1-CB 3.65Å; F168-L187 HydrophobicContact CD1-CD1 4.44Å; F168-L187 HydrophobicContact CD2-CB 4.38Å; F168-L187 HydrophobicContact CD2-CD1 4.41Å; F168-L187 HydrophobicContact CE1-CB 3.43Å; F168-L187 VanDerWaalsContact CE1-CB 3.43Å; F168-L187 HydrophobicContact CE1-CD1 3.51Å; F168-L187 HydrophobicContact CE1-CG 4.03Å; F168-L187 HydrophobicContact CE2-CB 4.21Å; F168-L187 HydrophobicContact CE2-CD1 3.47Å; F168-L187 VanDerWaalsContact CE2-CD1 3.47Å; F168-L187 HydrophobicContact CE2-CG 4.4Å; F168-L187 HydrophobicContact CG-CB 4.17Å; F168-L187 HydrophobicContact CZ-CB 3.8Å; F168-L187 HydrophobicContact CZ-CD1 2.98Å; F168-L187 HydrophobicContact CZ-CG 3.95Å; F168-L187 PolarHBondContact N-O 2.85Å; F168-L187 VanDerWaalsContact N-O 3.1Å; F168-L187 PolarHBondContact O-N 2.91Å |
| 169 | I | 83.6 | Confident | 81 | Confident | 113 Ų | 113 | 103.2 Ų | 103.2 | 58% | 0.579 | 53% | 0.532 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 121.1 | 177.8 | -53.3 | -179.5 | 0 | 0 | 0 | 107.8 | L184 E185 I186 | I169-L184 HydrophobicContact CG2-CD2 3.76Å; I169-E185 WeakPolarHBondContact CA-O 3.37Å; I169-I186 HydrophobicContact CG1-CG1 4.16Å; I169-I186 HydrophobicContact CG1-CG2 4.4Å; I169-I186 HydrophobicContact CG2-CG1 4.19Å |
| 170 | K | 85.4 | Confident | 80.8 | Confident | 99 Ų | 99 | 97.5 Ų | 97.5 | 43% | 0.43 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 113 | 174.3 | -176.7 | -178 | 176.8 | -169.9 | 0 | 108.5 | F168 E185 | F168-K170 HydrophobicContact CD2-CB 4.46Å; F168-K170 HydrophobicContact CE2-CB 4.32Å; K170-E185 HydrophobicContact CB-CB 4.36Å; K170-E185 PolarHBondContact N-O 2.8Å; K170-E185 PolarHBondContact O-N 2.86Å |
| 171 | G | 88.7 | Confident | 80.8 | Confident | 46 Ų | 46 | 96.8 Ų | 96.8 | 47% | 0.474 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 129.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q183 | G171-Q183 CarbonylContact C-O 3.43Å; G171-Q183 WeakPolarHBondContact CA-O 3.45Å |
| 172 | Q | 87.8 | Confident | 81.1 | Confident | 101 Ų | 101 | 91 Ų | 91 | 47% | 0.472 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 128.5 | 163.8 | -69 | -177.4 | -20.4 | 0 | 0 | 107.8 | Q183 | Q172-Q183 HydrophobicContact CB-CB 4.47Å; Q172-Q183 PolarHBondContact N-O 2.79Å; Q172-Q183 PolarHBondContact O-N 2.84Å |
| 173 | Y | 88.1 | Confident | 81.6 | Confident | 173 Ų | 173 | 92.8 Ų | 92.8 | 68% | 0.678 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 141.7 | 175 | 67 | -88 | 0 | 0 | 0 | 109.8 | V175 H181 | Y173-V175 HydrophobicContact CD2-CG2 4.01Å; Y173-V175 HydrophobicContact CE2-CG2 4.27Å; Y173-H181 CarbonylContact C-O 3.56Å; Y173-H181 VanDerWaalsContact CA-O 3.32Å; Y173-H181 WeakPolarHBondContact CA-O 2.93Å |
| 174 | R | 87.9 | Confident | 82.5 | Confident | 178 Ų | 178 | 91 Ų | 91 | 67% | 0.672 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 117.4 | 173.1 | -173.4 | 178.5 | -178.5 | -129.4 | 0.8 | 108.4 | H181 | R174-H181 HydrophobicContact CB-CB 4.42Å; R174-H181 PolarHBondContact N-O 3.48Å; R174-H181 PolarHBondContact O-N 3.1Å |
| 175 | V | 87.2 | Confident | 83.3 | Confident | 92 Ų | 92 | 90.3 Ų | 90.3 | 56% | 0.558 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 123.2 | 176.4 | -168.4 | 0 | 0 | 0 | 0 | 108.3 | Y173 L180 L201 | Y173-V175 HydrophobicContact CD2-CG2 4.01Å; Y173-V175 HydrophobicContact CE2-CG2 4.27Å; V175-L180 HydrophobicContact CB-CD1 4.5Å; V175-L180 HydrophobicContact CG2-CD1 3.77Å; V175-L201 HydrophobicContact CG1-CD1 4.1Å |
| 176 | T | 83.4 | Confident | 84.1 | Confident | 54 Ų | 54 | 89 Ų | 89 | 33% | 0.331 | 44% | 0.443 | S | S | . | . | trans | -114.3 | 164.6 | 167.1 | 62.3 | 0 | 0 | 0 | 0 | 108.8 | N178 Q179 | T176-N178 PolarHBondContact O-N 2.87Å; T176-N178 VanDerWaalsContact O-N 3.14Å; T176-Q179 WeakPolarHBondContact CA-O 3.45Å; T176-Q179 PolarHBondContact N-O 3.1Å; T176-Q179 PolarHBondContact O-N 2.89Å; T176-Q179 VanDerWaalsContact O-O 3.13Å; T176-Q179 PolarHBondContact OG1-N 3.22Å; T176-Q179 PolarHBondContact OG1-O 2.82Å | ||
| 177 | A | 78.8 | Confident | 84.5 | Confident | 72 Ų | 72 | 82 Ų | 82 | 60% | 0.595 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -52.1 | -40.9 | -175 | 0 | 0 | 0 | 0 | 0 | 112.7 | I203 | A177-I203 WeakPolarHBondContact O-CD1 3.47Š|
| 178 | N | 77.8 | Confident | 84.5 | Confident | 114 Ų | 114 | 85.6 Ų | 85.6 | 61% | 0.61 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -108.7 | -9.1 | -171.4 | -57.4 | -11.6 | 0 | 0 | 0 | 113.4 | T176 L201 | T176-N178 PolarHBondContact O-N 2.87Å; T176-N178 VanDerWaalsContact O-N 3.14Å; N178-L201 PolarHBondContact O-N 2.82Å |
| 179 | Q | 82.8 | Confident | 84 | Confident | 105 Ų | 105 | 83.9 Ų | 83.9 | 49% | 0.491 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 143.1 | -171.6 | -62.3 | -178.6 | -8.2 | 0 | 0 | 112 | T176 I199 | T176-Q179 WeakPolarHBondContact CA-O 3.45Å; T176-Q179 PolarHBondContact N-O 3.1Å; T176-Q179 PolarHBondContact O-N 2.89Å; T176-Q179 VanDerWaalsContact O-O 3.13Å; T176-Q179 PolarHBondContact OG1-N 3.22Å; T176-Q179 PolarHBondContact OG1-O 2.82Å; Q179-I199 WeakPolarHBondContact CA-O 2.98Å |
| 180 | L | 86.1 | Confident | 83.3 | Confident | 42 Ų | 42 | 84.7 Ų | 84.7 | 22% | 0.22 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 117.8 | 167.7 | 175.8 | 71.1 | 0 | 0 | 0 | 108.8 | V175 C198 I199 L201 | V175-L180 HydrophobicContact CB-CD1 4.5Å; V175-L180 HydrophobicContact CG2-CD1 3.77Å; L180-C198 CarbonylContact O-C 3.58Å; L180-C198 WeakPolarHBondContact O-CA 3.48Å; L180-I199 HydrophobicContact CB-CB 4.35Å; L180-I199 HydrophobicContact CD2-CD1 4.43Å; L180-I199 PolarHBondContact N-O 3.44Å; L180-I199 PolarHBondContact O-N 2.8Å; L180-L201 HydrophobicContact CB-CD1 4.32Å; L180-L201 HydrophobicContact CB-CD2 4.3Å; L180-L201 HydrophobicContact CB-CG 4.28Å |
| 181 | H | 85.4 | Confident | 82.7 | Confident | 73 Ų | 73 | 81.7 Ų | 81.7 | 34% | 0.338 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 117.3 | 172.3 | -174.7 | -77.3 | 0 | 0 | 0 | 109.4 | Y173 R174 C198 | Y173-H181 CarbonylContact C-O 3.56Å; Y173-H181 VanDerWaalsContact CA-O 3.32Å; Y173-H181 WeakPolarHBondContact CA-O 2.93Å; R174-H181 HydrophobicContact CB-CB 4.42Å; R174-H181 PolarHBondContact N-O 3.48Å; R174-H181 PolarHBondContact O-N 3.1Å; H181-C198 PolarHBondContact CD2-SG 2.83Å |
| 182 | L | 89.9 | Confident | 82.2 | Confident | 45 Ų | 45 | 83.4 Ų | 83.4 | 24% | 0.236 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 126.8 | 177.7 | -174.9 | 69.8 | 0 | 0 | 0 | 109.6 | L184 T196 E197 | L182-L184 HydrophobicContact CD2-CD1 3.89Å; L182-L184 HydrophobicContact CD2-CG 4.35Å; L182-L184 HydrophobicContact CG-CD1 4.33Å; L182-L184 HydrophobicContact CG-CG 4.28Å; L182-T196 CarbonylContact O-C 3.58Å; L182-T196 WeakPolarHBondContact O-CA 3.49Å; L182-E197 PolarHBondContact N-O 2.8Å; L182-E197 PolarHBondContact O-N 2.89Å |
| 183 | Q | 88.6 | Confident | 82 | Confident | 62 Ų | 62 | 81.6 Ų | 81.6 | 29% | 0.29 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 119.2 | 172.6 | -178.7 | 172.5 | 2.3 | 0 | 0 | 108.9 | G171 Q172 I194 T196 | G171-Q183 CarbonylContact C-O 3.43Å; G171-Q183 WeakPolarHBondContact CA-O 3.45Å; Q172-Q183 HydrophobicContact CB-CB 4.47Å; Q172-Q183 PolarHBondContact N-O 2.79Å; Q172-Q183 PolarHBondContact O-N 2.84Å; Q183-I194 HydrophobicContact CG-CG2 4.1Å; Q183-T196 HydrophobicContact CB-CG2 4.19Å; Q183-T196 HydrophobicContact CG-CG2 3.87Å |
| 184 | L | 89.3 | Confident | 81.9 | Confident | 56 Ų | 56 | 78.1 Ų | 78.1 | 29% | 0.293 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 119.2 | 177.6 | -73.4 | 158.5 | 0 | 0 | 0 | 108.8 | I169 L182 I194 V195 | I169-L184 HydrophobicContact CG2-CD2 3.76Å; L182-L184 HydrophobicContact CD2-CD1 3.89Å; L182-L184 HydrophobicContact CD2-CG 4.35Å; L182-L184 HydrophobicContact CG-CD1 4.33Å; L182-L184 HydrophobicContact CG-CG 4.28Å; L184-I194 WeakPolarHBondContact O-CA 3.4Å; L184-V195 HydrophobicContact CB-CB 4.43Å; L184-V195 PolarHBondContact N-O 3.43Å; L184-V195 PolarHBondContact O-N 3.14Å |
| 185 | E | 87.6 | Confident | 81.9 | Confident | 55 Ų | 55 | 73.3 Ų | 73.3 | 26% | 0.257 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 113.2 | 171.6 | -175.5 | 179.9 | -168.5 | 0 | 0 | 108.2 | I169 K170 L187 I194 | I169-E185 WeakPolarHBondContact CA-O 3.37Å; K170-E185 HydrophobicContact CB-CB 4.36Å; K170-E185 PolarHBondContact N-O 2.8Å; K170-E185 PolarHBondContact O-N 2.86Å; E185-L187 HydrophobicContact CG-CD1 4.16Å; E185-L187 HydrophobicContact CG-CG 4.38Å; E185-I194 HydrophobicContact CG-CG1 4.41Å |
| 186 | I | 85.3 | Confident | 81.9 | Confident | 52 Ų | 52 | 73 Ų | 73 | 27% | 0.267 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 117.2 | 178.5 | -56.6 | 170.5 | 0 | 0 | 0 | 107.3 | I169 C193 | I169-I186 HydrophobicContact CG1-CG1 4.16Å; I169-I186 HydrophobicContact CG1-CG2 4.4Å; I169-I186 HydrophobicContact CG2-CG1 4.19Å; I186-C193 VanDerWaalsContact CB-SG 3.55Å; I186-C193 PolarHBondContact N-O 3.44Å; I186-C193 PolarHBondContact O-N 2.82Å; I186-C193 PolarHBondContact O-SG 3.47Å |
| 187 | L | 80.3 | Confident | 82.2 | Confident | 44 Ų | 44 | 75.7 Ų | 75.7 | 23% | 0.23 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 88.4 | -179.5 | -85.8 | 157.3 | 0 | 0 | 0 | 109.1 | G167 F168 E185 P192 | G167-L187 CarbonylContact C-O 3.52Å; G167-L187 WeakPolarHBondContact CA-O 3.32Å; F168-L187 HydrophobicContact CD1-CB 3.65Å; F168-L187 HydrophobicContact CD1-CD1 4.44Å; F168-L187 HydrophobicContact CD2-CB 4.38Å; F168-L187 HydrophobicContact CD2-CD1 4.41Å; F168-L187 HydrophobicContact CE1-CB 3.43Å; F168-L187 VanDerWaalsContact CE1-CB 3.43Å; F168-L187 HydrophobicContact CE1-CD1 3.51Å; F168-L187 HydrophobicContact CE1-CG 4.03Å; F168-L187 HydrophobicContact CE2-CB 4.21Å; F168-L187 HydrophobicContact CE2-CD1 3.47Å; F168-L187 VanDerWaalsContact CE2-CD1 3.47Å; F168-L187 HydrophobicContact CE2-CG 4.4Å; F168-L187 HydrophobicContact CG-CB 4.17Å; F168-L187 HydrophobicContact CZ-CB 3.8Å; F168-L187 HydrophobicContact CZ-CD1 2.98Å; F168-L187 HydrophobicContact CZ-CG 3.95Å; F168-L187 PolarHBondContact N-O 2.85Å; F168-L187 VanDerWaalsContact N-O 3.1Å; F168-L187 PolarHBondContact O-N 2.91Å; E185-L187 HydrophobicContact CG-CD1 4.16Å; E185-L187 HydrophobicContact CG-CG 4.38Å; L187-P192 HydrophobicContact CD2-CB 3.57Å; L187-P192 HydrophobicContact CD2-CG 4.21Å; L187-P192 HydrophobicContact CG-CB 4.11Å |
| 188 | L | 73.1 | Confident | 82.4 | Confident | 101 Ų | 101 | 75.8 Ų | 75.8 | 53% | 0.529 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 139.6 | 170.1 | -148.4 | 66.5 | 0 | 0 | 0 | 106.9 | S190 G191 | L188-S190 PolarHBondContact O-N 2.85Å; L188-G191 PolarHBondContact O-N 2.68Å |
| 189 | G | 67.5 | Low | 82.8 | Confident | 85 Ų | 85 | 73.5 Ų | 73.5 | 88% | 0.876 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 3.9 | -166.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||
| 190 | S | 69.5 | Low | 82.7 | Confident | 130 Ų | 130 | 73.2 Ų | 73.2 | 91% | 0.909 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -4.7 | 169.9 | -168.9 | 0 | 0 | 0 | 0 | 114.5 | L188 | L188-S190 PolarHBondContact O-N 2.85Š|
| 191 | G | 71 | Confident | 82.3 | Confident | 35 Ų | 35 | 74.6 Ų | 74.6 | 36% | 0.361 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 139.2 | 162.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | L188 | L188-G191 PolarHBondContact O-N 2.68Å |
| 192 | P | 79.9 | Confident | 81.6 | Confident | 83 Ų | 83 | 76.5 Ų | 76.5 | 54% | 0.539 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 127.8 | 175.9 | 23.3 | -27.7 | 0 | 0 | 0 | 111.7 | L187 | L187-P192 HydrophobicContact CD2-CB 3.57Å; L187-P192 HydrophobicContact CD2-CG 4.21Å; L187-P192 HydrophobicContact CG-CB 4.11Å |
| 193 | C | 82.3 | Confident | 80.3 | Confident | 62 Ų | 62 | 79.5 Ų | 79.5 | 42% | 0.419 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 129.9 | 162.7 | 44.7 | 0 | 0 | 0 | 0 | 110.3 | I186 | I186-C193 VanDerWaalsContact CB-SG 3.55Å; I186-C193 PolarHBondContact N-O 3.44Å; I186-C193 PolarHBondContact O-N 2.82Å; I186-C193 PolarHBondContact O-SG 3.47Å |
| 194 | I | 87.3 | Confident | 78.9 | Confident | 101 Ų | 101 | 86 Ų | 86 | 52% | 0.518 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 124.1 | -176.7 | -57.3 | 172.5 | 0 | 0 | 0 | 108.2 | Q183 L184 E185 T196 | Q183-I194 HydrophobicContact CG-CG2 4.1Å; L184-I194 WeakPolarHBondContact O-CA 3.4Å; E185-I194 HydrophobicContact CG-CG1 4.41Å; I194-T196 HydrophobicContact CG2-CG2 4.24Å |
| 195 | V | 87.8 | Confident | 77.2 | Confident | 76 Ų | 76 | 95.6 Ų | 95.6 | 46% | 0.461 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.7 | 123.8 | 175.5 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | L184 | L184-V195 HydrophobicContact CB-CB 4.43Å; L184-V195 PolarHBondContact N-O 3.43Å; L184-V195 PolarHBondContact O-N 3.14Å |
| 196 | T | 87.4 | Confident | 76.7 | Confident | 86 Ų | 86 | 97.6 Ų | 97.6 | 53% | 0.528 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.9 | 130.7 | 178.6 | 50.4 | 0 | 0 | 0 | 0 | 110.4 | L182 Q183 I194 | L182-T196 CarbonylContact O-C 3.58Å; L182-T196 WeakPolarHBondContact O-CA 3.49Å; Q183-T196 HydrophobicContact CB-CG2 4.19Å; Q183-T196 HydrophobicContact CG-CG2 3.87Å; I194-T196 HydrophobicContact CG2-CG2 4.24Å |
| 197 | E | 89.1 | Confident | 76.2 | Confident | 111 Ų | 111 | 100 Ų | 100 | 52% | 0.519 | 59% | 0.587 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -135.5 | 139 | 179.6 | -168 | 174.1 | -173.8 | 0 | 0 | 110.8 | L182 I199 | L182-E197 PolarHBondContact N-O 2.8Å; L182-E197 PolarHBondContact O-N 2.89Å; E197-I199 HydrophobicContact CG-CG1 4.26Å |
| 198 | C | 83.1 | Confident | 76 | Confident | 73 Ų | 73 | 103.1 Ų | 103.1 | 49% | 0.493 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.9 | 110.3 | 176.7 | -67.3 | 0 | 0 | 0 | 0 | 109.4 | L180 H181 | L180-C198 CarbonylContact O-C 3.58Å; L180-C198 WeakPolarHBondContact O-CA 3.48Å; H181-C198 PolarHBondContact CD2-SG 2.83Å |
| 199 | I | 85.4 | Confident | 76.2 | Confident | 66 Ų | 66 | 103.2 Ų | 103.2 | 34% | 0.338 | 61% | 0.611 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.5 | 117 | -179.4 | -57.4 | 175.1 | 0 | 0 | 0 | 108.6 | Q179 L180 E197 L201 | Q179-I199 WeakPolarHBondContact CA-O 2.98Å; L180-I199 HydrophobicContact CB-CB 4.35Å; L180-I199 HydrophobicContact CD2-CD1 4.43Å; L180-I199 PolarHBondContact N-O 3.44Å; L180-I199 PolarHBondContact O-N 2.8Å; E197-I199 HydrophobicContact CG-CG1 4.26Å; I199-L201 PolarHBondContact O-N 2.99Å |
| 200 | P | 81.3 | Confident | 76.7 | Confident | 100 Ų | 100 | 104.4 Ų | 104.4 | 65% | 0.649 | 59% | 0.594 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -67.3 | 130.2 | 175.8 | 27.2 | -32.2 | 0 | 0 | 0 | 110.2 | ||
| 201 | L | 77.9 | Confident | 77.2 | Confident | 70 Ų | 70 | 102.7 Ų | 102.7 | 37% | 0.366 | 57% | 0.573 | S | S | . | * | trans | -94.1 | 109.2 | 175.9 | -63.3 | 177.3 | 0 | 0 | 0 | 107.9 | V175 N178 L180 I199 I203 | V175-L201 HydrophobicContact CG1-CD1 4.1Å; N178-L201 PolarHBondContact O-N 2.82Å; L180-L201 HydrophobicContact CB-CD1 4.32Å; L180-L201 HydrophobicContact CB-CD2 4.3Å; L180-L201 HydrophobicContact CB-CG 4.28Å; I199-L201 PolarHBondContact O-N 2.99Å; L201-I203 VanDerWaalsContact C-N 3.34Å; L201-I203 PolarHBondContact O-N 2.98Å | ||
| 202 | S | 69.9 | Low | 77.6 | Confident | 113 Ų | 113 | 107.5 Ų | 107.5 | 79% | 0.79 | 59% | 0.589 | S | S | * | * | trans | -73.2 | 91.8 | 169.7 | 57.1 | 0 | 0 | 0 | 0 | 108.5 | K204 | S202-K204 PolarHBondContact O-N 3.07Å; S202-K204 VanDerWaalsContact O-N 3.07Å | ||
| 203 | I | 62.2 | Low | 77.4 | Confident | 109 Ų | 109 | 109.4 Ų | 109.4 | 56% | 0.559 | 59% | 0.592 | S | S | * | * | trans | -66.2 | 105.5 | 164.3 | -60.8 | 170.5 | 0 | 0 | 0 | 105.7 | A177 L201 E205 | A177-I203 WeakPolarHBondContact O-CD1 3.47Å; L201-I203 VanDerWaalsContact C-N 3.34Å; L201-I203 PolarHBondContact O-N 2.98Å; I203-E205 PolarHBondContact O-N 3.48Å | ||
| 204 | K | 60.4 | Low | 77 | Confident | 198 Ų | 198 | 113.3 Ų | 113.3 | 86% | 0.861 | 61% | 0.607 | S | S | * | * | trans | -78.3 | 113 | 160 | -87.1 | -175.1 | 172.9 | -176.7 | 0 | 106.4 | S202 | S202-K204 PolarHBondContact O-N 3.07Å; S202-K204 VanDerWaalsContact O-N 3.07Å | ||
| 205 | E | 52.7 | Low | 76.1 | Confident | 257 Ų | 257 | 114.5 Ų | 114.5 | 100% | 1.201 | 62% | 0.615 | S | S | * | * | trans | -63.2 | 0 | 162.3 | -65.8 | -177.9 | 164.6 | 0 | 0 | 111 | I203 | I203-E205 PolarHBondContact O-N 3.48Š|
Retrieved 205 of 205 residues in 44.3 ms
(Link to these results)