| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.2 | Very low | 35.2 | Very low | 246 Ų | 246 | 164.5 Ų | 164.5 | 100% | 1.212 | 89% | 0.885 | S | S | * | * | 0 | -178.6 | 0 | -59.4 | -175.4 | -157.3 | 0 | 0 | 108.3 | |||||
| 2 | A | 33.8 | Very low | 34.9 | Very low | 98 Ų | 98 | 161.1 Ų | 161.1 | 81% | 0.81 | 87% | 0.874 | S | S | * | * | trans | -48.7 | 137.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 3 | A | 38.5 | Very low | 34.8 | Very low | 103 Ų | 103 | 162.8 Ų | 162.8 | 85% | 0.851 | 87% | 0.868 | S | S | * | * | cis | 83.4 | 128.6 | 40.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 4 | G | 33.6 | Very low | 34.5 | Very low | 74 Ų | 74 | 165.3 Ų | 165.3 | 76% | 0.763 | 87% | 0.868 | S | S | * | * | trans | -170 | 81.5 | -176 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 5 | N | 38 | Very low | 34.4 | Very low | 167 Ų | 167 | 163.7 Ų | 163.7 | 89% | 0.893 | 87% | 0.867 | S | S | * | * | trans | -93.6 | 128.6 | 173.4 | -82.6 | -16.6 | 0 | 0 | 0 | 110.5 | ||||
| 6 | H | 38.8 | Very low | 34 | Very low | 199 Ų | 199 | 160.6 Ų | 160.6 | 92% | 0.921 | 86% | 0.862 | S | S | * | * | trans | -93.8 | 109.2 | 166.6 | -81.4 | -70.3 | 0 | 0 | 0 | 111 | ||||
| 7 | C | 35.5 | Very low | 34.1 | Very low | 120 Ų | 120 | 158 Ų | 158 | 81% | 0.811 | 86% | 0.858 | S | S | * | * | trans | -107.7 | 134.8 | 165.5 | -169.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 8 | K | 33.6 | Very low | 33.8 | Very low | 204 Ų | 204 | 159 Ų | 159 | 89% | 0.887 | 86% | 0.856 | S | S | * | * | trans | -87.7 | 120.9 | 179.4 | -65.7 | -179.1 | 179.9 | 179.8 | 0 | 109.8 | ||||
| 9 | Q | 34.4 | Very low | 33.8 | Very low | 196 Ų | 196 | 160.7 Ų | 160.7 | 92% | 0.916 | 85% | 0.854 | S | S | * | * | trans | -85.5 | 168.2 | 166.6 | -81.5 | -167.8 | -13.5 | 0 | 0 | 112 | ||||
| 10 | R | 31 | Very low | 34.4 | Very low | 232 Ų | 232 | 158.1 Ų | 158.1 | 88% | 0.875 | 85% | 0.849 | S | S | * | * | trans | -128.9 | 105.7 | -160.6 | -177.7 | -173.3 | -166.4 | 177.6 | 4.8 | 108.4 | ||||
| 11 | E | 34.2 | Very low | 34.2 | Very low | 171 Ų | 171 | 158.7 Ų | 158.7 | 80% | 0.799 | 85% | 0.853 | S | S | * | * | trans | -71.5 | 142.7 | 179.2 | -67.2 | -167.5 | 138.9 | 0 | 0 | 111.7 | F13 | E11-F13 HydrophobicContact CB-CE2 4.49Š| ||
| 12 | V | 32.2 | Very low | 33.9 | Very low | 123 Ų | 123 | 150 Ų | 150 | 75% | 0.745 | 83% | 0.826 | S | S | * | * | trans | -126.3 | 102.8 | 179.7 | 176.9 | 0 | 0 | 0 | 0 | 107.9 | K14 | V12-K14 PolarHBondContact O-N 3.17Š| ||
| 13 | F | 33 | Very low | 33.8 | Very low | 183 Ų | 183 | 155.8 Ų | 155.8 | 80% | 0.803 | 83% | 0.833 | S | S | * | * | trans | -76.2 | 121.4 | 175 | -85 | -87.2 | 0 | 0 | 0 | 110.8 | E11 | E11-F13 HydrophobicContact CB-CE2 4.49Š| ||
| 14 | K | 31.7 | Very low | 33.6 | Very low | 198 Ų | 198 | 159 Ų | 159 | 86% | 0.861 | 84% | 0.836 | S | S | * | * | trans | -106.2 | 95.8 | -169 | -172 | -179.8 | -175.4 | 180 | 0 | 109.5 | V12 S16 | V12-K14 PolarHBondContact O-N 3.17Å; K14-S16 PolarHBondContact O-N 3.04Å | ||
| 15 | V | 32.5 | Very low | 33.5 | Very low | 142 Ų | 142 | 167.2 Ų | 167.2 | 86% | 0.861 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 129.1 | -179.2 | -179 | 0 | 0 | 0 | 0 | 110.3 | ||
| 16 | S | 28.6 | Very low | 33 | Very low | 113 Ų | 113 | 164.2 Ų | 164.2 | 79% | 0.79 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 133.7 | 179.9 | 51.3 | 0 | 0 | 0 | 0 | 112 | K14 | K14-S16 PolarHBondContact O-N 3.04Š|
| 17 | C | 34.9 | Very low | 32.6 | Very low | 117 Ų | 117 | 160.4 Ų | 160.4 | 79% | 0.791 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 128.6 | 166 | 178.9 | 0 | 0 | 0 | 0 | 109.2 | ||
| 18 | H | 28.9 | Very low | 32.4 | Very low | 176 Ų | 176 | 162.2 Ų | 162.2 | 82% | 0.815 | 83% | 0.831 | S | S | * | * | trans | -168.3 | 145 | 151.2 | -113.2 | -58.9 | 0 | 0 | 0 | 115.2 | ||||
| 19 | K | 33.5 | Very low | 32.4 | Very low | 191 Ų | 191 | 161.2 Ų | 161.2 | 83% | 0.83 | 83% | 0.829 | S | S | * | * | trans | 87.4 | 93.5 | 159.2 | -66.1 | 174.1 | -178.5 | 179.6 | 0 | 118.2 | ||||
| 20 | S | 45.7 | Very low | 32.4 | Very low | 108 Ų | 108 | 157 Ų | 157 | 76% | 0.755 | 82% | 0.816 | S | S | * | * | trans | -73.5 | 148.6 | 148.5 | 45.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 21 | N | 30.6 | Very low | 32.6 | Very low | 172 Ų | 172 | 150.2 Ų | 150.2 | 92% | 0.92 | 80% | 0.804 | S | S | * | * | trans | 165.9 | 132.8 | 152.3 | -89.2 | -16.5 | 0 | 0 | 0 | 107.3 | ||||
| 22 | G | 29 | Very low | 32.6 | Very low | 63 Ų | 63 | 146.6 Ų | 146.6 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | cis | 163.1 | 141.1 | -7.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 23 | F | 31.9 | Very low | 33 | Very low | 220 Ų | 220 | 149.4 Ų | 149.4 | 97% | 0.965 | 80% | 0.799 | S | S | * | * | trans | -140.7 | 129 | 169.3 | -96.2 | -77.4 | 0 | 0 | 0 | 110.6 | ||||
| 24 | L | 34.7 | Very low | 33.7 | Very low | 171 Ų | 171 | 149.8 Ų | 149.8 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | trans | -124.8 | 120.9 | 179.7 | -78.1 | 169.7 | 0 | 0 | 0 | 109.6 | ||||
| 25 | R | 31 | Very low | 34.2 | Very low | 245 Ų | 245 | 146.4 Ų | 146.4 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | trans | 162.6 | 150.3 | 157.6 | -98.5 | -179.3 | 175.1 | -155 | -1.5 | 108.5 | ||||
| 26 | S | 28.2 | Very low | 34.5 | Very low | 104 Ų | 104 | 148.3 Ų | 148.3 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | cis | -161.4 | 170.6 | -24 | -124.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 27 | C | 30.2 | Very low | 35.3 | Very low | 119 Ų | 119 | 151.9 Ų | 151.9 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -49.4 | 147.4 | 177.5 | -46.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 28 | L | 29.7 | Very low | 35.7 | Very low | 158 Ų | 158 | 154.6 Ų | 154.6 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | trans | -152.2 | 114.3 | 132.3 | -113.7 | 174.2 | 0 | 0 | 0 | 110.9 | V30 | L28-V30 HydrophobicContact CB-CG2 4.38Å; L28-V30 HydrophobicContact CD2-CG2 4.17Å | ||
| 29 | H | 35 | Very low | 36.3 | Very low | 184 Ų | 184 | 151.5 Ų | 151.5 | 85% | 0.852 | 79% | 0.789 | S | S | * | * | trans | -90.2 | 105.6 | 172.3 | 178.3 | -73.8 | 0 | 0 | 0 | 108.2 | ||||
| 30 | V | 33.5 | Very low | 36.6 | Very low | 106 Ų | 106 | 148.2 Ų | 148.2 | 64% | 0.642 | 78% | 0.781 | S | S | * | * | trans | -110.2 | 118.6 | -177.1 | 179.6 | 0 | 0 | 0 | 0 | 109.9 | L28 | L28-V30 HydrophobicContact CB-CG2 4.38Å; L28-V30 HydrophobicContact CD2-CG2 4.17Å | ||
| 31 | S | 35.8 | Very low | 36.5 | Very low | 90 Ų | 90 | 152.2 Ų | 152.2 | 63% | 0.629 | 79% | 0.785 | S | S | * | * | trans | -73.4 | 136.8 | 169.3 | 175.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 32 | T | 34.3 | Very low | 37.3 | Very low | 96 Ų | 96 | 151 Ų | 151 | 59% | 0.589 | 78% | 0.776 | S | S | * | * | trans | -132.7 | 41.8 | 171.1 | -41.5 | 0 | 0 | 0 | 0 | 111.3 | K34 N35 | T32-K34 PolarHBondContact O-N 2.93Å; T32-N35 WeakPolarHBondContact CG2-ND2 3.33Å | ||
| 33 | E | 41.3 | Very low | 38 | Very low | 182 Ų | 182 | 154.4 Ų | 154.4 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 62.4 | 170.4 | -167.6 | -178.2 | -153.2 | 0 | 0 | 111 | ||
| 34 | K | 47.2 | Very low | 38.6 | Very low | 191 Ų | 191 | 152.7 Ų | 152.7 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -158.6 | -3.1 | -179.2 | -117.5 | 154.1 | -170.9 | 171.9 | 0 | 118.7 | T32 | T32-K34 PolarHBondContact O-N 2.93Š|
| 35 | N | 42.3 | Very low | 39 | Very low | 127 Ų | 127 | 152.9 Ų | 152.9 | 68% | 0.679 | 77% | 0.768 | S | S | * | * | trans | -97.9 | 26.3 | -175.4 | -77.5 | -32.9 | 0 | 0 | 0 | 115.7 | T32 | T32-N35 WeakPolarHBondContact CG2-ND2 3.33Š| ||
| 36 | M | 38.1 | Very low | 39.4 | Very low | 181 Ų | 181 | 149.8 Ų | 149.8 | 89% | 0.892 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -108.6 | 15.3 | -179.5 | -94.8 | -175.1 | 163.5 | 0 | 0 | 114.8 | ||
| 37 | K | 45.9 | Very low | 40.1 | Very low | 189 Ų | 189 | 152.5 Ų | 152.5 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -140.5 | 16.6 | -177 | -67.8 | -168.1 | 176.1 | -178.1 | 0 | 115.9 | ||
| 38 | Q | 43 | Very low | 40.5 | Very low | 174 Ų | 174 | 154.3 Ų | 154.3 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -133.2 | 39 | -176.2 | -154.7 | 170.6 | 3.2 | 0 | 0 | 113.8 | ||
| 39 | V | 41.1 | Very low | 41.1 | Very low | 111 Ų | 111 | 156 Ų | 156 | 67% | 0.673 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -127.8 | -31.2 | 169 | -174.6 | 0 | 0 | 0 | 0 | 111.6 | F41 | V39-F41 PolarHBondContact O-N 2.77Š|
| 40 | D | 41.1 | Very low | 41.6 | Very low | 122 Ų | 122 | 154.6 Ų | 154.6 | 65% | 0.652 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 2.2 | -176.3 | -58.7 | -70.6 | 0 | 0 | 0 | 116.5 | ||
| 41 | F | 42.6 | Very low | 41.9 | Very low | 192 Ų | 192 | 160 Ų | 160 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | -2.6 | -172.4 | -109.5 | -80.3 | 0 | 0 | 0 | 115.8 | V39 | V39-F41 PolarHBondContact O-N 2.77Š|
| 42 | I | 46.9 | Very low | 41.8 | Very low | 145 Ų | 145 | 164.4 Ų | 164.4 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | -32.1 | 179.8 | -62.4 | 178.5 | 0 | 0 | 0 | 111.8 | K44 | I42-K44 VanDerWaalsContact C-N 3.31Å; I42-K44 PolarHBondContact O-N 3.03Å; I42-K44 VanDerWaalsContact O-N 3.17Å |
| 43 | N | 44.4 | Very low | 41.6 | Very low | 136 Ų | 136 | 169.5 Ų | 169.5 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 36 | -177.3 | -73.7 | -3.3 | 0 | 0 | 0 | 114.7 | ||
| 44 | K | 44.3 | Very low | 41.1 | Very low | 183 Ų | 183 | 167 Ų | 167 | 80% | 0.796 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.1 | -3.4 | -179.3 | -89.6 | -168.5 | 173.6 | -176.8 | 0 | 117 | I42 | I42-K44 VanDerWaalsContact C-N 3.31Å; I42-K44 PolarHBondContact O-N 3.03Å; I42-K44 VanDerWaalsContact O-N 3.17Å |
| 45 | E | 42.9 | Very low | 40.3 | Very low | 176 Ų | 176 | 166.2 Ų | 166.2 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -106.9 | -6.5 | -177.2 | -156.9 | 164 | -172.5 | 0 | 0 | 114 | ||
| 46 | E | 40 | Very low | 39.8 | Very low | 180 Ų | 180 | 169.7 Ų | 169.7 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -112.1 | 1.6 | -169.9 | -151.7 | 172.7 | -162.7 | 0 | 0 | 115.3 | ||
| 47 | L | 41.7 | Very low | 39.3 | Very low | 160 Ų | 160 | 172 Ų | 172 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -118.9 | 8.2 | -173 | -70.6 | 177.7 | 0 | 0 | 0 | 116.3 | ||
| 48 | D | 38.3 | Very low | 38.5 | Very low | 157 Ų | 157 | 169.2 Ų | 169.2 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -124.8 | 55.7 | -176.5 | -161.7 | 25.2 | 0 | 0 | 0 | 113.1 | ||
| 49 | K | 44 | Very low | 37.9 | Very low | 194 Ų | 194 | 169 Ų | 169 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -135.7 | -10.5 | 179.2 | -76.9 | -176.2 | 179.8 | 162.7 | 0 | 116.8 | ||
| 50 | D | 45.5 | Very low | 37.4 | Very low | 154 Ų | 154 | 169.1 Ų | 169.1 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -134.2 | 54.5 | -167.3 | -157.7 | 18.2 | 0 | 0 | 0 | 114.8 | ||
| 51 | R | 39 | Very low | 37 | Very low | 220 Ų | 220 | 171.1 Ų | 171.1 | 83% | 0.83 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -160.1 | 140.1 | 158.1 | -111.2 | 154.1 | -157.9 | -162 | 3.6 | 112.9 | ||
| 52 | F | 33.7 | Very low | 36.4 | Very low | 183 Ų | 183 | 164.4 Ų | 164.4 | 80% | 0.803 | 81% | 0.81 | S | S | * | * | trans | 68.5 | 85.5 | 172.7 | -45.2 | -65.1 | 0 | 0 | 0 | 117.7 | ||||
| 53 | Q | 31.1 | Very low | 36.1 | Very low | 202 Ų | 202 | 167.2 Ų | 167.2 | 94% | 0.944 | 82% | 0.816 | S | S | * | * | trans | -97.6 | 125.8 | 141.1 | -71.1 | -167.9 | 14.1 | 0 | 0 | 109.4 | ||||
| 54 | V | 30.1 | Very low | 35.6 | Very low | 131 Ų | 131 | 166 Ų | 166 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | trans | -126.9 | 142.4 | 171.9 | 177.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 55 | H | 31.2 | Very low | 35.2 | Very low | 174 Ų | 174 | 165.4 Ų | 165.4 | 81% | 0.806 | 81% | 0.814 | S | S | * | * | trans | -52.7 | 140.2 | -161.4 | -62.1 | -70.1 | 0 | 0 | 0 | 116.9 | ||||
| 56 | H | 31.6 | Very low | 35.2 | Very low | 199 Ų | 199 | 168.3 Ų | 168.3 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | -128.8 | 164.1 | 134.5 | -112.4 | -98.7 | 0 | 0 | 0 | 110.7 | ||||
| 57 | R | 27.3 | Very low | 35.2 | Very low | 229 Ų | 229 | 165 Ų | 165 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -136.1 | 119.3 | -148.8 | 173.8 | -146.7 | -159.9 | -156 | 9.8 | 113.5 | ||||
| 58 | V | 28.1 | Very low | 35 | Very low | 132 Ų | 132 | 165.1 Ų | 165.1 | 80% | 0.8 | 81% | 0.812 | S | S | * | * | trans | -142.2 | 105.8 | 159.6 | -180 | 0 | 0 | 0 | 0 | 113 | ||||
| 59 | Q | 30 | Very low | 35.6 | Very low | 169 Ų | 169 | 162.4 Ų | 162.4 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | 46 | 126.2 | 140.2 | -52.7 | -172.9 | 28.9 | 0 | 0 | 124.5 | ||||
| 60 | S | 32 | Very low | 35.1 | Very low | 114 Ų | 114 | 158.6 Ų | 158.6 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | 75.2 | 164.6 | 150.8 | 87.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 61 | L | 32.1 | Very low | 34.7 | Very low | 163 Ų | 163 | 159 Ų | 159 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | cis | -153.8 | 154.3 | -5.2 | -165.4 | 63.2 | 0 | 0 | 0 | 107.9 | ||||
| 62 | G | 29.7 | Very low | 34.6 | Very low | 51 Ų | 51 | 157.9 Ų | 157.9 | 53% | 0.526 | 79% | 0.79 | S | S | . | * | cis | 166.2 | 164.1 | -10.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 63 | K | 41.3 | Very low | 34.6 | Very low | 204 Ų | 204 | 159.7 Ų | 159.7 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | trans | 72.2 | 146 | -175.7 | -41.7 | 172.4 | -176.1 | 174.3 | 0 | 112.7 | ||||
| 64 | T | 33.9 | Very low | 34.6 | Very low | 111 Ų | 111 | 154.1 Ų | 154.1 | 68% | 0.681 | 78% | 0.775 | S | S | * | * | cis | -149.4 | 138.1 | 17.9 | -55.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 65 | Q | 35 | Very low | 34.7 | Very low | 171 Ų | 171 | 153.5 Ų | 153.5 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | trans | 47.3 | 123.5 | 157.8 | -62.8 | 167.2 | 24.2 | 0 | 0 | 120.1 | ||||
| 66 | R | 42.8 | Very low | 34.8 | Very low | 237 Ų | 237 | 149.9 Ų | 149.9 | 89% | 0.894 | 77% | 0.769 | S | S | * | * | 69.6 | 145 | 63.7 | -75.1 | -173.4 | 177.8 | 175.8 | -0.1 | 114.9 | |||||
| 67 | P | 40.2 | Very low | 34.8 | Very low | 111 Ų | 111 | 145.7 Ų | 145.7 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | cis | -141.6 | 168.5 | -23.5 | 41.4 | -23.6 | 0 | 0 | 0 | 116.7 | ||||
| 68 | L | 37.9 | Very low | 34.9 | Very low | 161 Ų | 161 | 142 Ų | 142 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | trans | 11.7 | 167.1 | 137.6 | -72.2 | 165.9 | 0 | 0 | 0 | 122.8 | ||||
| 69 | P | 51.6 | Low | 35.1 | Very low | 101 Ų | 101 | 144 Ų | 144 | 66% | 0.656 | 77% | 0.766 | S | S | * | * | cis | -141.2 | -172.4 | -10.4 | 36.4 | -15.7 | 0 | 0 | 0 | 116.5 | ||||
| 70 | C | 32.5 | Very low | 35.2 | Very low | 114 Ų | 114 | 142.9 Ų | 142.9 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | 75 | 164.7 | 149.5 | -81.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 71 | K | 36.8 | Very low | 35.1 | Very low | 161 Ų | 161 | 140.4 Ų | 140.4 | 70% | 0.7 | 76% | 0.763 | S | S | * | * | cis | -156.3 | 138 | 10.9 | -136.3 | 160.4 | -173.1 | 173.5 | 0 | 113.7 | ||||
| 72 | R | 37.8 | Very low | 35.1 | Very low | 197 Ų | 197 | 137.2 Ų | 137.2 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | 47.5 | 140.5 | 138.7 | -75.2 | -177.7 | -177 | 172.9 | -0.9 | 124 | ||||
| 73 | R | 34.5 | Very low | 35.4 | Very low | 221 Ų | 221 | 144 Ų | 144 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | trans | 74.7 | 150.2 | 137.4 | -82.2 | -168.8 | 171 | 176.4 | -4 | 118.7 | ||||
| 74 | S | 29.9 | Very low | 34.8 | Very low | 86 Ų | 86 | 140.9 Ų | 140.9 | 60% | 0.601 | 77% | 0.767 | S | S | * | * | cis | -170.8 | 146.5 | -19.8 | -124.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 75 | C | 33.4 | Very low | 34.7 | Very low | 118 Ų | 118 | 143.7 Ų | 143.7 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | 57.6 | 161.5 | 145.8 | -54.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 76 | S | 32.8 | Very low | 34.8 | Very low | 97 Ų | 97 | 146.5 Ų | 146.5 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | cis | -155.2 | 132.1 | -8.8 | 19.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 77 | S | 30.8 | Very low | 34.1 | Very low | 112 Ų | 112 | 147.3 Ų | 147.3 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | 66.3 | 110.8 | 99.6 | -43 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 78 | V | 30.7 | Very low | 33.9 | Very low | 150 Ų | 150 | 146.8 Ų | 146.8 | 91% | 0.909 | 78% | 0.777 | S | S | * | * | trans | -132.3 | 133.8 | 138.4 | 177.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 79 | E | 31.9 | Very low | 33.7 | Very low | 175 Ų | 175 | 144.5 Ų | 144.5 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -85.2 | 165.9 | 179 | -62.5 | 169.9 | 119.4 | 0 | 0 | 109.2 | ||||
| 80 | V | 31.5 | Very low | 32.8 | Very low | 145 Ų | 145 | 146.7 Ų | 146.7 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | -169.6 | 150.4 | 60.4 | 169.7 | 0 | 0 | 0 | 0 | 106.5 | |||||
| 81 | G | 30.3 | Very low | 32.9 | Very low | 63 Ų | 63 | 148.7 Ų | 148.7 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | cis | 165.9 | 145.9 | -5.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 82 | A | 31.5 | Very low | 32.6 | Very low | 95 Ų | 95 | 144.1 Ų | 144.1 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | 59.9 | 134.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 83 | K | 35.4 | Very low | 32.4 | Very low | 194 Ų | 194 | 146 Ų | 146 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | cis | 65.1 | 138.2 | 37.2 | -57 | -179.2 | 179.5 | 175.8 | 0 | 112.9 | ||||
| 84 | L | 30.5 | Very low | 32.2 | Very low | 139 Ų | 139 | 143.6 Ų | 143.6 | 73% | 0.728 | 80% | 0.798 | S | S | * | * | cis | -158.5 | -173.2 | -9.9 | -105.1 | 172.2 | 0 | 0 | 0 | 105.5 | ||||
| 85 | H | 31.3 | Very low | 32.4 | Very low | 169 Ų | 169 | 151.1 Ų | 151.1 | 78% | 0.782 | 81% | 0.814 | S | S | * | * | cis | -154.8 | -142.4 | 15.8 | -151.8 | -12.9 | 0 | 0 | 0 | 111.5 | ||||
| 86 | R | 36.5 | Very low | 32.4 | Very low | 230 Ų | 230 | 148.8 Ų | 148.8 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | trans | -114.7 | 148.4 | 164.3 | -79.1 | 176.5 | 165.7 | 178.4 | -5.1 | 110.2 | ||||
| 87 | R | 29.5 | Very low | 32.8 | Very low | 254 Ų | 254 | 150.8 Ų | 150.8 | 96% | 0.958 | 82% | 0.82 | S | S | * | * | -161.1 | 170.8 | 129.2 | -128.7 | 179.1 | 177.8 | 173 | -0.7 | 112.6 | |||||
| 88 | S | 34.2 | Very low | 33.2 | Very low | 100 Ų | 100 | 148.7 Ų | 148.7 | 70% | 0.699 | 82% | 0.817 | S | S | * | * | trans | -120.9 | 154.7 | -177.7 | 146.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 89 | S | 33.9 | Very low | 33.9 | Very low | 114 Ų | 114 | 150.5 Ų | 150.5 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | trans | -137.7 | 167.1 | 161.6 | 54.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 90 | N | 33.7 | Very low | 34.5 | Very low | 146 Ų | 146 | 146.3 Ų | 146.3 | 78% | 0.781 | 81% | 0.813 | S | S | * | * | trans | -124.9 | -177.9 | -177.5 | -78.7 | -51.7 | 0 | 0 | 0 | 110.5 | ||||
| 91 | V | 34.1 | Very low | 34.9 | Very low | 156 Ų | 156 | 147 Ų | 147 | 95% | 0.945 | 81% | 0.812 | S | S | * | * | trans | 81.6 | 131.7 | 176.9 | -168.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 92 | G | 30.1 | Very low | 36.1 | Very low | 66 Ų | 66 | 154.2 Ų | 154.2 | 68% | 0.68 | 83% | 0.825 | S | S | * | * | cis | 173.4 | 136 | -11.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 93 | R | 35.2 | Very low | 37 | Very low | 236 Ų | 236 | 158.5 Ų | 158.5 | 89% | 0.891 | 83% | 0.829 | S | S | * | * | trans | 40.9 | 108.4 | 151.7 | -167.8 | -145.7 | -56.2 | -91.4 | 4.5 | 120.3 | ||||
| 94 | L | 29.6 | Very low | 37.9 | Very low | 170 Ų | 170 | 156.2 Ų | 156.2 | 89% | 0.89 | 83% | 0.826 | S | S | * | * | trans | -154.2 | 169 | 131 | -146.9 | 55.9 | 0 | 0 | 0 | 113.1 | ||||
| 95 | R | 34.7 | Very low | 38.2 | Very low | 244 Ų | 244 | 157.9 Ų | 157.9 | 92% | 0.921 | 83% | 0.83 | S | S | * | * | trans | -73.2 | 155.1 | -176.2 | -80.2 | -177.6 | 165.8 | -153.7 | -0.8 | 113.6 | ||||
| 96 | G | 32.9 | Very low | 38.8 | Very low | 70 Ų | 70 | 155.8 Ų | 155.8 | 72% | 0.722 | 83% | 0.828 | S | S | * | * | trans | 162.7 | 78.1 | 149.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | G98 | G96-G98 PolarHBondContact O-N 2.82Š| ||
| 97 | P | 41.8 | Very low | 38.8 | Very low | 138 Ų | 138 | 150.2 Ų | 150.2 | 90% | 0.896 | 82% | 0.82 | S | S | * | * | trans | -79.5 | 105.7 | 161.7 | 32 | -29.2 | 0 | 0 | 0 | 109.7 | ||||
| 98 | G | 37.5 | Very low | 39.3 | Very low | 69 Ų | 69 | 144.4 Ų | 144.4 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | trans | -98.2 | 127.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | G96 | G96-G98 PolarHBondContact O-N 2.82Š| ||
| 99 | M | 46.3 | Very low | 39.4 | Very low | 188 Ų | 188 | 144.8 Ų | 144.8 | 93% | 0.926 | 82% | 0.82 | S | S | * | * | trans | 62.6 | 97.2 | 160.7 | -54 | -54.2 | -66.3 | 0 | 0 | 118.8 | ||||
| 100 | A | 43.6 | Very low | 39.7 | Very low | 86 Ų | 86 | 146.9 Ų | 146.9 | 71% | 0.711 | 82% | 0.822 | S | S | * | * | trans | -154.2 | 149.5 | 136.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 101 | N | 39.8 | Very low | 39.9 | Very low | 161 Ų | 161 | 146.9 Ų | 146.9 | 86% | 0.861 | 82% | 0.822 | S | S | * | * | trans | 60.7 | 108.1 | 166.6 | -53.9 | -2 | 0 | 0 | 0 | 117.2 | ||||
| 102 | K | 56.2 | Low | 40.4 | Very low | 213 Ų | 213 | 144.5 Ų | 144.5 | 93% | 0.926 | 81% | 0.808 | S | S | * | * | trans | -127.9 | 73 | 168.1 | -171.3 | -155.8 | 172.2 | -177.6 | 0 | 110.8 | ||||
| 103 | E | 50.6 | Low | 41 | Very low | 186 Ų | 186 | 152.1 Ų | 152.1 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | trans | -154.9 | 159.7 | 162 | 58.8 | -165.8 | 147.4 | 0 | 0 | 110.1 | ||||
| 104 | N | 54.2 | Low | 40.8 | Very low | 145 Ų | 145 | 144.5 Ų | 144.5 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | trans | 62.8 | 70.1 | -174.3 | -164.1 | 70.7 | 0 | 0 | 0 | 116.9 | ||||
| 105 | E | 37.2 | Very low | 41.6 | Very low | 175 Ų | 175 | 142.5 Ų | 142.5 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -127.9 | 105.8 | 141.4 | -174.3 | 172.8 | -161.2 | 0 | 0 | 108 | ||||
| 106 | V | 44.2 | Very low | 42 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | -105 | 93.4 | 172.3 | -79.3 | 0 | 0 | 0 | 0 | 108.8 | C108 | V106-C108 PolarHBondContact O-N 3.43Š| ||
| 107 | T | 35.7 | Very low | 42.2 | Very low | 114 Ų | 114 | 141.4 Ų | 141.4 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | trans | -65.8 | 122 | 179.1 | -44 | 0 | 0 | 0 | 0 | 110.5 | S109 | T107-S109 PolarHBondContact O-N 2.78Š| ||
| 108 | C | 39.6 | Very low | 42.4 | Very low | 131 Ų | 131 | 145.2 Ų | 145.2 | 89% | 0.885 | 80% | 0.8 | S | S | * | * | trans | -74.9 | 104.6 | 170.6 | -60.6 | 0 | 0 | 0 | 0 | 110 | V106 | V106-C108 PolarHBondContact O-N 3.43Š| ||
| 109 | S | 36.1 | Very low | 42.8 | Very low | 109 Ų | 109 | 146.7 Ų | 146.7 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | -97.4 | 112 | 164.7 | 57.9 | 0 | 0 | 0 | 0 | 109.7 | T107 | T107-S109 PolarHBondContact O-N 2.78Š| ||
| 110 | D | 41.8 | Very low | 43 | Very low | 157 Ų | 157 | 143 Ų | 143 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | trans | -90.6 | 111.7 | 170.4 | -176.4 | 16.1 | 0 | 0 | 0 | 109 | ||||
| 111 | D | 35.9 | Very low | 43.1 | Very low | 147 Ų | 147 | 146.5 Ų | 146.5 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | trans | -153.1 | 90.3 | 171.6 | -137.4 | -20 | 0 | 0 | 0 | 113 | ||||
| 112 | V | 45.6 | Very low | 43 | Very low | 106 Ų | 106 | 145.3 Ų | 145.3 | 64% | 0.642 | 79% | 0.785 | S | S | * | * | trans | 34.2 | 120.5 | 137.5 | 179.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 113 | R | 42.9 | Very low | 42.6 | Very low | 225 Ų | 225 | 141.7 Ų | 141.7 | 85% | 0.849 | 78% | 0.783 | S | S | * | * | trans | 93 | 92.8 | 150.4 | -164.1 | -171.9 | -53.1 | -108.2 | -3.3 | 118.8 | ||||
| 114 | G | 30.9 | Very low | 42.4 | Very low | 77 Ų | 77 | 136.8 Ų | 136.8 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | -137.4 | 107.7 | 155.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 115 | V | 46.9 | Very low | 41.9 | Very low | 128 Ų | 128 | 136 Ų | 136 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | -94.8 | 100.4 | -177.9 | 177 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 116 | H | 42.1 | Very low | 42.6 | Very low | 179 Ų | 179 | 133 Ų | 133 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | trans | -141.9 | 105.6 | 165.7 | -75.5 | -53.8 | 0 | 0 | 0 | 113.8 | ||||
| 117 | S | 36.9 | Very low | 42.9 | Very low | 111 Ų | 111 | 132 Ų | 132 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | 41.4 | 89.4 | 138.6 | -51.8 | 0 | 0 | 0 | 0 | 119.6 | P119 | S117-P119 WeakPolarHBondContact O-CD 3.41Š| ||
| 118 | R | 47.4 | Very low | 43.7 | Very low | 218 Ų | 218 | 134 Ų | 134 | 82% | 0.823 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 120.7 | 154.4 | 175.4 | 178.8 | -179.3 | 171.3 | 2.2 | 109.8 | ||
| 119 | P | 45.6 | Very low | 44.3 | Very low | 101 Ų | 101 | 135.1 Ų | 135.1 | 66% | 0.656 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 150.6 | 169.2 | 30.7 | -33.6 | 0 | 0 | 0 | 111.3 | S117 | S117-P119 WeakPolarHBondContact O-CD 3.41Š|
| 120 | P | 49.1 | Very low | 45 | Very low | 109 Ų | 109 | 134.4 Ų | 134.4 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -73 | 146.9 | -179.8 | 30.3 | -34.9 | 0 | 0 | 0 | 112.2 | N122 | P120-N122 PolarHBondContact O-N 2.75Š|
| 121 | M | 46.5 | Very low | 45.5 | Very low | 161 Ų | 161 | 130 Ų | 130 | 79% | 0.793 | 76% | 0.755 | S | S | * | * | trans | -83.1 | 112.5 | 172.9 | -66.4 | 172.7 | 72.9 | 0 | 0 | 109.8 | ||||
| 122 | N | 36.7 | Very low | 46.4 | Very low | 135 Ų | 135 | 125.4 Ų | 125.4 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | trans | -87.9 | 127.7 | 169.1 | -76 | -23.8 | 0 | 0 | 0 | 110 | P120 A124 | P120-N122 PolarHBondContact O-N 2.75Å; N122-A124 PolarHBondContact O-N 2.95Å | ||
| 123 | P | 49.4 | Very low | 46.9 | Very low | 138 Ų | 138 | 124.4 Ų | 124.4 | 90% | 0.896 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -82 | 49.7 | -178.8 | 35.5 | -37.2 | 0 | 0 | 0 | 112 | ||
| 124 | A | 46.3 | Very low | 47.8 | Very low | 83 Ų | 83 | 116.7 Ų | 116.7 | 69% | 0.686 | 72% | 0.716 | S | S | * | * | trans | -140.2 | 28.4 | -161.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | N122 | N122-A124 PolarHBondContact O-N 2.95Š| ||
| 125 | E | 43.6 | Very low | 49.4 | Very low | 127 Ų | 127 | 119.7 Ų | 119.7 | 59% | 0.593 | 71% | 0.707 | S | S | * | * | trans | -140.5 | 40.1 | 169.7 | -139.7 | -178.3 | -167 | 0 | 0 | 114.3 | S127 K128 | E125-S127 PolarHBondContact O-N 3.34Å; E125-K128 IonicContact OE1-NZ 2.86Å; E125-K128 PolarHBondContact OE1-NZ 3.2Å | ||
| 126 | A | 52.3 | Low | 50.3 | Low | 114 Ų | 114 | 122.4 Ų | 122.4 | 94% | 0.942 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 51.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 127 | S | 49.9 | Very low | 51.8 | Low | 103 Ų | 103 | 116.2 Ų | 116.2 | 72% | 0.72 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.9 | -0.2 | 177.5 | 65.1 | 0 | 0 | 0 | 0 | 116.2 | E125 | E125-S127 PolarHBondContact O-N 3.34Š|
| 128 | K | 51.5 | Low | 54 | Low | 154 Ų | 154 | 115 Ų | 115 | 67% | 0.67 | 67% | 0.669 | S | S | * | * | trans | -118.4 | 27 | -177.9 | -68.9 | 179.3 | -174.4 | 156.5 | 0 | 115.3 | E125 | E125-K128 IonicContact OE1-NZ 2.86Å; E125-K128 PolarHBondContact OE1-NZ 3.2Å | ||
| 129 | M | 53.7 | Low | 55.7 | Low | 156 Ų | 156 | 111 Ų | 111 | 77% | 0.768 | 66% | 0.658 | S | S | * | * | trans | -95.7 | 6.8 | -174.2 | -148.3 | 166.8 | -172.5 | 0 | 0 | 115.9 | G131 A132 | M129-G131 PolarHBondContact O-N 3.29Å; M129-A132 HydrophobicContact CG-CB 4.25Å | ||
| 130 | A | 49.5 | Very low | 57.7 | Low | 94 Ų | 94 | 110.7 Ų | 110.7 | 78% | 0.777 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -62.1 | -39.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 131 | G | 53.7 | Low | 59.7 | Low | 63 Ų | 63 | 112.6 Ų | 112.6 | 65% | 0.649 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -80.6 | -11.4 | -176 | 0 | 0 | 0 | 0 | 0 | 115.9 | M129 | M129-G131 PolarHBondContact O-N 3.29Å |
| 132 | A | 53.7 | Low | 61.7 | Low | 52 Ų | 52 | 111.5 Ų | 111.5 | 43% | 0.43 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -90.4 | -23.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | M129 | M129-A132 HydrophobicContact CG-CB 4.25Å |
| 133 | S | 55.3 | Low | 64.2 | Low | 85 Ų | 85 | 108.5 Ų | 108.5 | 59% | 0.594 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -69.5 | -35.8 | -174.7 | -165.7 | 0 | 0 | 0 | 0 | 113.4 | K135 A137 | S133-K135 PolarHBondContact O-N 3.37Å; S133-A137 PolarHBondContact O-N 3.01Å |
| 134 | S | 62.1 | Low | 66.3 | Low | 62 Ų | 62 | 108.5 Ų | 108.5 | 43% | 0.434 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -61.6 | -49.4 | -178.1 | 95.3 | 0 | 0 | 0 | 0 | 111.1 | Y136 A137 D138 | S134-Y136 PolarHBondContact O-N 2.97Å; S134-A137 CarbonylContact O-C 3.5Å; S134-A137 VanDerWaalsContact O-CA 3.32Å; S134-A137 WeakPolarHBondContact O-CA 3.25Å; S134-A137 VanDerWaalsContact O-CB 3.3Å; S134-A137 WeakPolarHBondContact O-CB 3.43Å; S134-A137 PolarHBondContact O-N 2.88Å; S134-D138 PolarHBondContact O-N 2.99Å; S134-D138 VanDerWaalsContact O-OD2 3.11Å; S134-D138 PolarHBondContact OG-OD2 3.1Å; S134-D138 VanDerWaalsContact OG-OD2 3.12Å |
| 135 | K | 65.6 | Low | 68.6 | Low | 140 Ų | 140 | 109.7 Ų | 109.7 | 61% | 0.609 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -55.5 | -35.4 | -172.4 | -63.6 | -171.4 | 178.8 | -174 | 0 | 113.6 | S133 D138 F139 | S133-K135 PolarHBondContact O-N 3.37Å; K135-D138 VanDerWaalsContact CA-OD2 3.29Å; K135-D138 WeakPolarHBondContact CA-OD2 3.44Å; K135-D138 PolarHBondContact N-OD2 3.27Å; K135-F139 WeakPolarHBondContact O-CD2 3.17Å; K135-F139 PolarHBondContact O-N 2.86Å |
| 136 | Y | 66.2 | Low | 71.1 | Confident | 186 Ų | 186 | 109 Ų | 109 | 73% | 0.729 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -76.2 | -37.3 | 174.5 | -101.1 | -89.8 | 0 | 0 | 0 | 112.7 | S134 F139 T140 | S134-Y136 PolarHBondContact O-N 2.97Å; Y136-F139 PolarHBondContact O-N 2.91Å; Y136-T140 WeakPolarHBondContact O-CG2 3.4Å; Y136-T140 PolarHBondContact O-N 3.5Å; Y136-T140 PolarHBondContact O-OG1 3.38Å |
| 137 | A | 73.6 | Confident | 73.2 | Confident | 49 Ų | 49 | 110.6 Ų | 110.6 | 41% | 0.405 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -60.5 | -46.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S133 S134 F139 T140 E141 | S133-A137 PolarHBondContact O-N 3.01Å; S134-A137 CarbonylContact O-C 3.5Å; S134-A137 VanDerWaalsContact O-CA 3.32Å; S134-A137 WeakPolarHBondContact O-CA 3.25Å; S134-A137 VanDerWaalsContact O-CB 3.3Å; S134-A137 WeakPolarHBondContact O-CB 3.43Å; S134-A137 PolarHBondContact O-N 2.88Å; A137-F139 VanDerWaalsContact C-N 3.29Å; A137-F139 PolarHBondContact O-N 3.35Å; A137-T140 WeakPolarHBondContact CA-OG1 3.49Å; A137-T140 CarbonylContact O-C 3.56Å; A137-T140 WeakPolarHBondContact O-CA 3.39Å; A137-T140 PolarHBondContact O-N 2.9Å; A137-T140 PolarHBondContact O-OG1 3.11Å; A137-E141 PolarHBondContact O-N 2.8Å |
| 138 | D | 81.8 | Confident | 75.5 | Confident | 85 Ų | 85 | 108 Ų | 108 | 46% | 0.455 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -54.7 | -42.8 | 177.2 | -52.2 | -29.9 | 0 | 0 | 0 | 110.9 | S134 K135 L142 | S134-D138 PolarHBondContact O-N 2.99Å; S134-D138 VanDerWaalsContact O-OD2 3.11Å; S134-D138 PolarHBondContact OG-OD2 3.1Å; S134-D138 VanDerWaalsContact OG-OD2 3.12Å; K135-D138 VanDerWaalsContact CA-OD2 3.29Å; K135-D138 WeakPolarHBondContact CA-OD2 3.44Å; K135-D138 PolarHBondContact N-OD2 3.27Å; D138-L142 VanDerWaalsContact O-CB 3.32Å; D138-L142 WeakPolarHBondContact O-CB 3.32Å; D138-L142 PolarHBondContact O-N 2.86Å |
| 139 | F | 84.6 | Confident | 77.7 | Confident | 135 Ų | 135 | 106 Ų | 106 | 59% | 0.592 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -70.3 | -37.6 | 173.3 | -77.2 | -59.2 | 0 | 0 | 0 | 113.7 | K135 Y136 A137 E141 L142 S143 | K135-F139 WeakPolarHBondContact O-CD2 3.17Å; K135-F139 PolarHBondContact O-N 2.86Å; Y136-F139 PolarHBondContact O-N 2.91Å; A137-F139 VanDerWaalsContact C-N 3.29Å; A137-F139 PolarHBondContact O-N 3.35Å; F139-E141 VanDerWaalsContact C-N 3.3Å; F139-E141 PolarHBondContact O-N 3.17Å; F139-L142 PolarHBondContact O-N 3.26Å; F139-S143 VanDerWaalsContact O-CB 3.25Å; F139-S143 WeakPolarHBondContact O-CB 3.36Å; F139-S143 PolarHBondContact O-N 3.39Å; F139-S143 PolarHBondContact O-OG 3.26Å |
| 140 | T | 86.8 | Confident | 79.8 | Confident | 93 Ų | 93 | 101.9 Ų | 101.9 | 57% | 0.571 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68 | -28.8 | 174.5 | 55.7 | 0 | 0 | 0 | 0 | 113 | Y136 A137 S143 K144 | Y136-T140 WeakPolarHBondContact O-CG2 3.4Å; Y136-T140 PolarHBondContact O-N 3.5Å; Y136-T140 PolarHBondContact O-OG1 3.38Å; A137-T140 WeakPolarHBondContact CA-OG1 3.49Å; A137-T140 CarbonylContact O-C 3.56Å; A137-T140 WeakPolarHBondContact O-CA 3.39Å; A137-T140 PolarHBondContact O-N 2.9Å; A137-T140 PolarHBondContact O-OG1 3.11Å; T140-S143 PolarHBondContact O-OG 2.71Å; T140-K144 PolarHBondContact O-N 3.44Å |
| 141 | E | 90.1 | Very high | 82 | Confident | 150 Ų | 150 | 103.3 Ų | 103.3 | 70% | 0.701 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -77.4 | -41.2 | 173.4 | -173.5 | 163.8 | -160.8 | 0 | 0 | 111.8 | A137 F139 K144 | A137-E141 PolarHBondContact O-N 2.8Å; F139-E141 VanDerWaalsContact C-N 3.3Å; F139-E141 PolarHBondContact O-N 3.17Å; E141-K144 WeakPolarHBondContact O-CB 3.35Å; E141-K144 PolarHBondContact O-N 3.02Å |
| 142 | L | 88.4 | Confident | 84.1 | Confident | 138 Ų | 138 | 105.7 Ų | 105.7 | 72% | 0.723 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -68.1 | -35.5 | 176.8 | -178.7 | 63.3 | 0 | 0 | 0 | 113.6 | D138 F139 K144 | D138-L142 VanDerWaalsContact O-CB 3.32Å; D138-L142 WeakPolarHBondContact O-CB 3.32Å; D138-L142 PolarHBondContact O-N 2.86Å; F139-L142 PolarHBondContact O-N 3.26Å; L142-K144 VanDerWaalsContact C-N 3.31Å |
| 143 | S | 90.6 | Very high | 86.2 | Confident | 72 Ų | 72 | 108 Ų | 108 | 50% | 0.503 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -80.2 | -13.1 | 177.8 | 60.9 | 0 | 0 | 0 | 0 | 113.4 | F139 T140 H146 | F139-S143 VanDerWaalsContact O-CB 3.25Å; F139-S143 WeakPolarHBondContact O-CB 3.36Å; F139-S143 PolarHBondContact O-N 3.39Å; F139-S143 PolarHBondContact O-OG 3.26Å; T140-S143 PolarHBondContact O-OG 2.71Å; S143-H146 VanDerWaalsContact O-CB 3.28Å; S143-H146 WeakPolarHBondContact O-CB 3.16Å; S143-H146 PolarHBondContact O-N 3.46Å |
| 144 | K | 93.1 | Very high | 88.2 | Confident | 138 Ų | 138 | 110.4 Ų | 110.4 | 60% | 0.6 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | 137.3 | 176 | -168.4 | -173.4 | 166.1 | -169.9 | 0 | 110.4 | T140 E141 L142 H146 | T140-K144 PolarHBondContact O-N 3.44Å; E141-K144 WeakPolarHBondContact O-CB 3.35Å; E141-K144 PolarHBondContact O-N 3.02Å; L142-K144 VanDerWaalsContact C-N 3.31Å; K144-H146 PolarHBondContact O-N 3.4Å |
| 145 | D | 95.4 | Very high | 89.9 | Confident | 108 Ų | 108 | 108.1 Ų | 108.1 | 58% | 0.578 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 7.8 | 179.3 | -50 | -39 | 0 | 0 | 0 | 115.1 | E147 A148 M149 | D145-E147 PolarHBondContact O-N 3.36Å; D145-A148 WeakPolarHBondContact O-CB 3.37Å; D145-A148 PolarHBondContact O-N 3.5Å; D145-M149 PolarHBondContact O-N 3.02Å |
| 146 | H | 96.2 | Very high | 91.5 | Very high | 113 Ų | 113 | 105.2 Ų | 105.2 | 52% | 0.523 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.3 | -39.4 | 179.8 | 174.8 | 39.4 | 0 | 0 | 0 | 112.8 | S143 K144 M149 T150 | S143-H146 VanDerWaalsContact O-CB 3.28Å; S143-H146 WeakPolarHBondContact O-CB 3.16Å; S143-H146 PolarHBondContact O-N 3.46Å; K144-H146 PolarHBondContact O-N 3.4Å; H146-M149 PolarHBondContact O-N 2.71Å; H146-T150 PolarHBondContact CE1-OG1 3.45Å; H146-T150 PolarHBondContact ND1-OG1 3.44Å; H146-T150 WeakPolarHBondContact O-CB 3.44Å; H146-T150 PolarHBondContact O-N 3.13Å; H146-T150 PolarHBondContact O-OG1 3.14Å |
| 147 | E | 96.2 | Very high | 93 | Very high | 146 Ų | 146 | 99.2 Ų | 99.2 | 68% | 0.682 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.8 | -46 | 173.9 | -178.3 | 173.6 | -153.4 | 0 | 0 | 111.1 | D145 T150 H151 | D145-E147 PolarHBondContact O-N 3.36Å; E147-T150 PolarHBondContact O-N 2.77Å; E147-H151 PolarHBondContact O-CD2 2.89Å; E147-H151 PolarHBondContact O-N 3.16Å |
| 148 | A | 97.2 | Very high | 94.2 | Very high | 48 Ų | 48 | 101.5 Ų | 101.5 | 40% | 0.397 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D145 T150 H151 I152 | D145-A148 WeakPolarHBondContact O-CB 3.37Å; D145-A148 PolarHBondContact O-N 3.5Å; A148-T150 VanDerWaalsContact C-N 3.32Å; A148-T150 PolarHBondContact O-N 3.33Å; A148-H151 PolarHBondContact O-N 3.49Å; A148-I152 WeakPolarHBondContact O-CB 3.2Å; A148-I152 WeakPolarHBondContact O-CD1 3.38Å; A148-I152 WeakPolarHBondContact O-CG1 3.5Å; A148-I152 PolarHBondContact O-N 3.23Å |
| 149 | M | 97.4 | Very high | 95 | Very high | 114 Ų | 114 | 102.5 Ų | 102.5 | 56% | 0.562 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -58.7 | -44.3 | 174 | -173.5 | -174.1 | -64.1 | 0 | 0 | 111.3 | D145 H146 I152 L153 | D145-M149 PolarHBondContact O-N 3.02Å; H146-M149 PolarHBondContact O-N 2.71Å; M149-I152 PolarHBondContact O-N 3.49Å; M149-L153 HydrophobicContact CG-CD1 3.82Å; M149-L153 HydrophobicContact CG-CG 4.32Å; M149-L153 WeakPolarHBondContact O-CB 3.42Å; M149-L153 VanDerWaalsContact O-CG 3.29Å; M149-L153 WeakPolarHBondContact O-CG 3.32Å; M149-L153 PolarHBondContact O-N 3.24Å; M149-L153 HydrophobicContact SD-CD1 4.41Å |
| 150 | T | 97.4 | Very high | 95.7 | Very high | 69 Ų | 69 | 98.7 Ų | 98.7 | 42% | 0.423 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.9 | -46.3 | 179.4 | -59.2 | 0 | 0 | 0 | 0 | 111.3 | H146 E147 A148 F154 | H146-T150 PolarHBondContact CE1-OG1 3.45Å; H146-T150 PolarHBondContact ND1-OG1 3.44Å; H146-T150 WeakPolarHBondContact O-CB 3.44Å; H146-T150 PolarHBondContact O-N 3.13Å; H146-T150 PolarHBondContact O-OG1 3.14Å; E147-T150 PolarHBondContact O-N 2.77Å; A148-T150 VanDerWaalsContact C-N 3.32Å; A148-T150 PolarHBondContact O-N 3.33Å; T150-F154 VanDerWaalsContact O-CB 3.22Å; T150-F154 WeakPolarHBondContact O-CB 3.26Å; T150-F154 PolarHBondContact O-N 3.11Å |
| 151 | H | 97.2 | Very high | 96.2 | Very high | 123 Ų | 123 | 99.9 Ų | 99.9 | 57% | 0.569 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.9 | -40.6 | 175.8 | -75.1 | -56.1 | 0 | 0 | 0 | 113.2 | E147 A148 G155 | E147-H151 PolarHBondContact O-CD2 2.89Å; E147-H151 PolarHBondContact O-N 3.16Å; A148-H151 PolarHBondContact O-N 3.49Å; H151-G155 PolarHBondContact O-N 2.93Å |
| 152 | I | 97.3 | Very high | 96.6 | Very high | 113 Ų | 113 | 95.4 Ų | 95.4 | 58% | 0.579 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.6 | -49.7 | 177.3 | -70.2 | 164.8 | 0 | 0 | 0 | 110.5 | A148 M149 G155 R156 | A148-I152 WeakPolarHBondContact O-CB 3.2Å; A148-I152 WeakPolarHBondContact O-CD1 3.38Å; A148-I152 WeakPolarHBondContact O-CG1 3.5Å; A148-I152 PolarHBondContact O-N 3.23Å; M149-I152 PolarHBondContact O-N 3.49Å; I152-G155 PolarHBondContact O-N 3.11Å; I152-R156 VanDerWaalsContact O-CB 3.29Å; I152-R156 WeakPolarHBondContact O-CB 3.35Å; I152-R156 PolarHBondContact O-N 3.28Å |
| 153 | L | 97.6 | Very high | 97.1 | Very high | 101 Ų | 101 | 89 Ų | 89 | 53% | 0.529 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.3 | -44.7 | -178.9 | -69.6 | 175.6 | 0 | 0 | 0 | 111.9 | M149 R156 D157 | M149-L153 HydrophobicContact CG-CD1 3.82Å; M149-L153 HydrophobicContact CG-CG 4.32Å; M149-L153 WeakPolarHBondContact O-CB 3.42Å; M149-L153 VanDerWaalsContact O-CG 3.29Å; M149-L153 WeakPolarHBondContact O-CG 3.32Å; M149-L153 PolarHBondContact O-N 3.24Å; M149-L153 HydrophobicContact SD-CD1 4.41Å; L153-R156 PolarHBondContact O-N 2.97Å; L153-D157 WeakPolarHBondContact O-CB 3.23Å; L153-D157 PolarHBondContact O-N 3.15Å |
| 154 | F | 98.3 | Very high | 97.4 | Very high | 136 Ų | 136 | 89.6 Ų | 89.6 | 60% | 0.596 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -64 | -42.6 | 176.8 | -178.2 | -98.3 | 0 | 0 | 0 | 112.2 | T150 R156 L158 | T150-F154 VanDerWaalsContact O-CB 3.22Å; T150-F154 WeakPolarHBondContact O-CB 3.26Å; T150-F154 PolarHBondContact O-N 3.11Å; F154-R156 VanDerWaalsContact C-N 3.35Å; F154-R156 PolarHBondContact O-N 3.47Å; F154-L158 WeakPolarHBondContact O-CB 3.34Å; F154-L158 PolarHBondContact O-N 3.14Å |
| 155 | G | 97.9 | Very high | 97.7 | Very high | 14 Ų | 14 | 86.3 Ų | 86.3 | 14% | 0.144 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -63.2 | -39 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | H151 I152 R159 | H151-G155 PolarHBondContact O-N 2.93Å; I152-G155 PolarHBondContact O-N 3.11Å; G155-R159 WeakPolarHBondContact O-CD 3.31Å; G155-R159 VanDerWaalsContact O-CG 3.28Å; G155-R159 WeakPolarHBondContact O-CG 3.36Å; G155-R159 PolarHBondContact O-N 3Å |
| 156 | R | 98.3 | Very high | 97.8 | Very high | 79 Ų | 79 | 82.4 Ų | 82.4 | 30% | 0.298 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -69.8 | -47.5 | 176.8 | -168 | 173.4 | -177.9 | 168.9 | -2.3 | 111.4 | I152 L153 F154 L158 R159 L160 G185 V186 D189 | I152-R156 VanDerWaalsContact O-CB 3.29Å; I152-R156 WeakPolarHBondContact O-CB 3.35Å; I152-R156 PolarHBondContact O-N 3.28Å; L153-R156 PolarHBondContact O-N 2.97Å; F154-R156 VanDerWaalsContact C-N 3.35Å; F154-R156 PolarHBondContact O-N 3.47Å; R156-L158 PolarHBondContact O-N 3.5Å; R156-R159 PolarHBondContact O-N 3.34Å; R156-R159 VanDerWaalsContact O-N 3.16Å; R156-L160 HydrophobicContact CG-CD1 4.02Å; R156-L160 HydrophobicContact CG-CG 4.48Å; R156-L160 WeakPolarHBondContact O-CB 3.49Å; R156-L160 VanDerWaalsContact O-CG 3.27Å; R156-L160 WeakPolarHBondContact O-CG 3.41Å; R156-L160 PolarHBondContact O-N 2.88Å; R156-G185 PolarHBondContact NH2-O 3.11Å; R156-V186 HydrophobicContact CG-CG2 4.07Å; R156-D189 IonicContact CZ-OD1 2.68Å; R156-D189 IonicContact CZ-OD2 3.47Å; R156-D189 VanDerWaalsContact CZ-OD2 3.31Å; R156-D189 IonicContact NE-OD1 3.31Å; R156-D189 IonicContact NE-OD2 3.6Å; R156-D189 PolarHBondContact NE-OD2 2.95Å; R156-D189 IonicContact NH2-OD1 2.72Å; R156-D189 PolarHBondContact NH2-OD1 3.28Å; R156-D189 IonicContact NH2-OD2 3.5Å; R156-D189 PolarHBondContact NH2-OD2 3.25Å; R156-D189 VanDerWaalsContact NH2-OD2 3.08Å |
| 157 | D | 98.3 | Very high | 97.8 | Very high | 60 Ų | 60 | 80 Ų | 80 | 32% | 0.321 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -54.9 | -46.6 | 174.2 | 165 | 74.8 | 0 | 0 | 0 | 112.4 | L153 R159 L160 K161 | L153-D157 WeakPolarHBondContact O-CB 3.23Å; L153-D157 PolarHBondContact O-N 3.15Å; D157-R159 VanDerWaalsContact C-N 3.34Å; D157-R159 PolarHBondContact O-N 3.45Å; D157-L160 PolarHBondContact O-N 3.09Å; D157-K161 WeakPolarHBondContact O-CB 3.26Å; D157-K161 WeakPolarHBondContact O-CG 3.29Å; D157-K161 PolarHBondContact O-N 3.36Å; D157-K161 WeakPolarHBondContact OD1-CE 3.33Å; D157-K161 IonicContact OD1-NZ 3.08Å; D157-K161 PolarHBondContact OD1-NZ 3.2Å; D157-K161 WeakPolarHBondContact OD2-CE 2.94Å; D157-K161 IonicContact OD2-NZ 3.65Å; D157-K161 PolarHBondContact OD2-NZ 3.08Å |
| 158 | L | 98.3 | Very high | 97.7 | Very high | 97 Ų | 97 | 82.4 Ų | 82.4 | 51% | 0.508 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 177.4 | -177.5 | 61.3 | 0 | 0 | 0 | 111.8 | F154 R156 K161 V162 | F154-L158 WeakPolarHBondContact O-CB 3.34Å; F154-L158 PolarHBondContact O-N 3.14Å; R156-L158 PolarHBondContact O-N 3.5Å; L158-K161 PolarHBondContact O-N 3.04Å; L158-V162 PolarHBondContact O-N 2.92Å |
| 159 | R | 98.6 | Very high | 97.5 | Very high | 106 Ų | 106 | 88.6 Ų | 88.6 | 40% | 0.4 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68.2 | -37 | 177 | -70.1 | 168.6 | -164.8 | 138.5 | 12 | 112.3 | G155 R156 D157 V162 A163 Y177 D183 V186 | G155-R159 WeakPolarHBondContact O-CD 3.31Å; G155-R159 VanDerWaalsContact O-CG 3.28Å; G155-R159 WeakPolarHBondContact O-CG 3.36Å; G155-R159 PolarHBondContact O-N 3Å; R156-R159 PolarHBondContact O-N 3.34Å; R156-R159 VanDerWaalsContact O-N 3.16Å; D157-R159 VanDerWaalsContact C-N 3.34Å; D157-R159 PolarHBondContact O-N 3.45Å; R159-V162 PolarHBondContact O-N 2.93Å; R159-A163 WeakPolarHBondContact O-CB 3.34Å; R159-A163 PolarHBondContact O-N 2.99Å; R159-Y177 WeakPolarHBondContact CA-OH 3.35Å; R159-Y177 WeakPolarHBondContact CB-OH 3.42Å; R159-Y177 PolarHBondContact O-OH 2.93Å; R159-D183 WeakPolarHBondContact CD-OD2 3.27Å; R159-D183 IonicContact CZ-OD2 2.67Å; R159-D183 IonicContact NE-OD2 2.69Å; R159-D183 IonicContact NH1-OD2 3.23Å; R159-D183 PolarHBondContact NH1-OD2 3.39Å; R159-V186 HydrophobicContact CB-CG1 4.32Å; R159-V186 HydrophobicContact CB-CG2 3.63Å; R159-V186 HydrophobicContact CG-CG2 4.43Å |
| 160 | L | 98.5 | Very high | 97.3 | Very high | 54 Ų | 54 | 86.5 Ų | 86.5 | 28% | 0.283 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -69.3 | -37.2 | 176.1 | -71.6 | 168.9 | 0 | 0 | 0 | 112.3 | R156 D157 A163 L164 V186 D189 | R156-L160 HydrophobicContact CG-CD1 4.02Å; R156-L160 HydrophobicContact CG-CG 4.48Å; R156-L160 WeakPolarHBondContact O-CB 3.49Å; R156-L160 VanDerWaalsContact O-CG 3.27Å; R156-L160 WeakPolarHBondContact O-CG 3.41Å; R156-L160 PolarHBondContact O-N 2.88Å; D157-L160 PolarHBondContact O-N 3.09Å; L160-A163 WeakPolarHBondContact O-CB 3.43Å; L160-A163 PolarHBondContact O-N 3.5Å; L160-L164 WeakPolarHBondContact O-CB 3.24Å; L160-L164 PolarHBondContact O-N 3.09Å; L160-V186 HydrophobicContact CD2-CG1 3.99Å; L160-D189 HydrophobicContact CD2-CB 3.6Å |
| 161 | K | 98.4 | Very high | 97.1 | Very high | 118 Ų | 118 | 83.3 Ų | 83.3 | 51% | 0.513 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 171.9 | -78.3 | 165.7 | 175.2 | 159.3 | 0 | 111.4 | D157 L158 T165 | D157-K161 WeakPolarHBondContact O-CB 3.26Å; D157-K161 WeakPolarHBondContact O-CG 3.29Å; D157-K161 PolarHBondContact O-N 3.36Å; D157-K161 WeakPolarHBondContact OD1-CE 3.33Å; D157-K161 IonicContact OD1-NZ 3.08Å; D157-K161 PolarHBondContact OD1-NZ 3.2Å; D157-K161 WeakPolarHBondContact OD2-CE 2.94Å; D157-K161 IonicContact OD2-NZ 3.65Å; D157-K161 PolarHBondContact OD2-NZ 3.08Å; L158-K161 PolarHBondContact O-N 3.04Å; K161-T165 WeakPolarHBondContact O-CG2 3.45Å; K161-T165 PolarHBondContact O-N 3.29Å |
| 162 | V | 98.5 | Very high | 97 | Very high | 56 Ų | 56 | 79.5 Ų | 79.5 | 34% | 0.339 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.1 | -51.1 | 172 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | L158 R159 L164 T165 L166 Y177 | L158-V162 PolarHBondContact O-N 2.92Å; R159-V162 PolarHBondContact O-N 2.93Å; V162-L164 VanDerWaalsContact C-N 3.3Å; V162-L164 PolarHBondContact O-N 2.83Å; V162-T165 PolarHBondContact O-N 3.31Å; V162-T165 PolarHBondContact O-OG1 3.25Å; V162-L166 HydrophobicContact CG1-CD1 4.1Å; V162-L166 HydrophobicContact CG1-CG 4.44Å; V162-L166 WeakPolarHBondContact O-CG 3.48Å; V162-L166 PolarHBondContact O-N 3.28Å; V162-L166 VanDerWaalsContact O-N 3.11Å; V162-Y177 HydrophobicContact CB-CE1 4.34Å; V162-Y177 HydrophobicContact CB-CE2 4.43Å; V162-Y177 HydrophobicContact CG1-CD2 4.17Å; V162-Y177 HydrophobicContact CG1-CE1 4.05Å; V162-Y177 HydrophobicContact CG1-CE2 3.66Å |
| 163 | A | 98.4 | Very high | 97 | Very high | 3 Ų | 3 | 77.5 Ų | 77.5 | 3% | 0.025 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -51.5 | -46.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R159 L160 T165 L166 W167 L174 Y177 | R159-A163 WeakPolarHBondContact O-CB 3.34Å; R159-A163 PolarHBondContact O-N 2.99Å; L160-A163 WeakPolarHBondContact O-CB 3.43Å; L160-A163 PolarHBondContact O-N 3.5Å; A163-T165 VanDerWaalsContact C-N 3.35Å; A163-T165 PolarHBondContact O-N 3.23Å; A163-L166 PolarHBondContact O-N 3.17Å; A163-W167 WeakPolarHBondContact O-CB 3.5Å; A163-W167 PolarHBondContact O-N 2.67Å; A163-L174 HydrophobicContact CB-CD1 3.58Å; A163-Y177 HydrophobicContact CB-CD1 4.32Å; A163-Y177 HydrophobicContact CB-CE1 4.03Å |
| 164 | L | 97.9 | Very high | 97 | Very high | 85 Ų | 85 | 72.9 Ų | 72.9 | 45% | 0.445 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.3 | -36.9 | 177.8 | -179.7 | 61.4 | 0 | 0 | 0 | 112.9 | L160 V162 R168 | L160-L164 WeakPolarHBondContact O-CB 3.24Å; L160-L164 PolarHBondContact O-N 3.09Å; V162-L164 VanDerWaalsContact C-N 3.3Å; V162-L164 PolarHBondContact O-N 2.83Å; L164-R168 HydrophobicContact CD1-CG 4.49Å; L164-R168 VanDerWaalsContact O-CG 3.3Å; L164-R168 WeakPolarHBondContact O-CG 3.42Å; L164-R168 PolarHBondContact O-N 2.96Å |
| 165 | T | 98.1 | Very high | 97 | Very high | 70 Ų | 70 | 66.5 Ų | 66.5 | 43% | 0.429 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -69.7 | -32.9 | 175.5 | 61.3 | 0 | 0 | 0 | 0 | 113.3 | K161 V162 A163 R169 | K161-T165 WeakPolarHBondContact O-CG2 3.45Å; K161-T165 PolarHBondContact O-N 3.29Å; V162-T165 PolarHBondContact O-N 3.31Å; V162-T165 PolarHBondContact O-OG1 3.25Å; A163-T165 VanDerWaalsContact C-N 3.35Å; A163-T165 PolarHBondContact O-N 3.23Å; T165-R169 WeakPolarHBondContact O-CG 3.45Å |
| 166 | L | 97.4 | Very high | 97 | Very high | 25 Ų | 25 | 69.4 Ų | 69.4 | 13% | 0.131 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -75.7 | -43.2 | 176.3 | -60 | 177.8 | 0 | 0 | 0 | 111.1 | V162 A163 R168 R169 N170 E173 L174 Y177 | V162-L166 HydrophobicContact CG1-CD1 4.1Å; V162-L166 HydrophobicContact CG1-CG 4.44Å; V162-L166 WeakPolarHBondContact O-CG 3.48Å; V162-L166 PolarHBondContact O-N 3.28Å; V162-L166 VanDerWaalsContact O-N 3.11Å; A163-L166 PolarHBondContact O-N 3.17Å; L166-R168 VanDerWaalsContact C-N 3.26Å; L166-R168 PolarHBondContact O-N 3.26Å; L166-R169 WeakPolarHBondContact O-CB 3.49Å; L166-R169 PolarHBondContact O-N 2.93Å; L166-N170 PolarHBondContact O-N 2.91Å; L166-N170 VanDerWaalsContact O-O 3.1Å; L166-E173 HydrophobicContact CB-CB 4.05Å; L166-E173 HydrophobicContact CD2-CB 4.28Å; L166-E173 WeakPolarHBondContact CD2-OE2 3.48Å; L166-L174 HydrophobicContact CB-CB 4.45Å; L166-Y177 HydrophobicContact CD1-CD1 3.98Å; L166-Y177 HydrophobicContact CD1-CD2 4.07Å; L166-Y177 HydrophobicContact CD1-CG 3.55Å |
| 167 | W | 96.2 | Very high | 97 | Very high | 62 Ų | 62 | 66.6 Ų | 66.6 | 24% | 0.235 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -53.5 | -42.7 | 175 | -178.5 | -119.5 | 0 | 0 | 0 | 112.8 | A163 R169 A171 L174 V193 L194 N197 | A163-W167 WeakPolarHBondContact O-CB 3.5Å; A163-W167 PolarHBondContact O-N 2.67Å; W167-R169 PolarHBondContact O-N 3.23Å; W167-A171 HydrophobicContact CE3-CB 4.14Å; W167-A171 HydrophobicContact CH2-CB 4.4Å; W167-A171 HydrophobicContact CZ3-CB 3.56Å; W167-L174 HydrophobicContact CB-CD2 4.13Å; W167-L174 HydrophobicContact CD2-CD2 4.06Å; W167-L174 HydrophobicContact CE3-CB 4.33Å; W167-L174 HydrophobicContact CE3-CD2 3.47Å; W167-L174 VanDerWaalsContact CE3-CD2 3.47Å; W167-L174 HydrophobicContact CG-CD2 4.36Å; W167-L174 HydrophobicContact CZ3-CD2 4.19Å; W167-V193 HydrophobicContact CZ2-CG1 4.19Å; W167-L194 HydrophobicContact CE3-CD2 4.26Å; W167-L194 HydrophobicContact CH2-CD2 3.96Å; W167-L194 HydrophobicContact CZ3-CD2 3.53Å; W167-N197 HydrophobicContact CH2-CB 3.75Å; W167-N197 HydrophobicContact CZ2-CB 3.96Å |
| 168 | R | 94.4 | Very high | 97 | Very high | 198 Ų | 198 | 63.9 Ų | 63.9 | 75% | 0.747 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -10.2 | 177.7 | -72.7 | 175.4 | 179 | -162.3 | 0.3 | 114.5 | L164 L166 | L164-R168 HydrophobicContact CD1-CG 4.49Å; L164-R168 VanDerWaalsContact O-CG 3.3Å; L164-R168 WeakPolarHBondContact O-CG 3.42Å; L164-R168 PolarHBondContact O-N 2.96Å; L166-R168 VanDerWaalsContact C-N 3.26Å; L166-R168 PolarHBondContact O-N 3.26Å |
| 169 | R | 93.3 | Very high | 96.9 | Very high | 177 Ų | 177 | 61.8 Ų | 61.8 | 67% | 0.668 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | -54.4 | 174.8 | -66.5 | 171.7 | -177.5 | 167.1 | 1.4 | 111.1 | T165 L166 W167 E173 | T165-R169 WeakPolarHBondContact O-CG 3.45Å; L166-R169 WeakPolarHBondContact O-CB 3.49Å; L166-R169 PolarHBondContact O-N 2.93Å; W167-R169 PolarHBondContact O-N 3.23Å; R169-E173 IonicContact NH1-OE2 2.95Å |
| 170 | N | 92.9 | Very high | 96.9 | Very high | 70 Ų | 70 | 65.6 Ų | 65.6 | 37% | 0.374 | 31% | 0.308 | S | S | . | . | trans | -161.4 | 128.5 | -172.3 | -172.3 | -11.5 | 0 | 0 | 0 | 110.4 | L166 S172 E173 L174 | L166-N170 PolarHBondContact O-N 2.91Å; L166-N170 VanDerWaalsContact O-O 3.1Å; N170-S172 PolarHBondContact O-N 2.69Å; N170-S172 WeakPolarHBondContact OD1-CB 3.32Å; N170-S172 PolarHBondContact OD1-N 2.85Å; N170-S172 PolarHBondContact OD1-OG 3.47Å; N170-S172 VanDerWaalsContact OD1-OG 3.11Å; N170-E173 HydrophobicContact CB-CB 4.21Å; N170-E173 HydrophobicContact CB-CG 4.02Å; N170-E173 WeakPolarHBondContact O-CB 3.48Å; N170-E173 PolarHBondContact O-N 3.43Å; N170-E173 VanDerWaalsContact O-N 3.09Å; N170-L174 PolarHBondContact O-N 3.46Å | ||
| 171 | A | 94.1 | Very high | 96.8 | Very high | 3 Ų | 3 | 65.3 Ų | 65.3 | 3% | 0.025 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56.6 | -34.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | W167 E173 L174 V175 C204 L205 | W167-A171 HydrophobicContact CE3-CB 4.14Å; W167-A171 HydrophobicContact CH2-CB 4.4Å; W167-A171 HydrophobicContact CZ3-CB 3.56Å; A171-E173 PolarHBondContact O-N 3.4Å; A171-L174 PolarHBondContact O-N 3.47Å; A171-V175 PolarHBondContact O-N 2.85Å; A171-C204 HydrophobicContact CB-CB 4.22Å; A171-C204 WeakPolarHBondContact CB-O 3.34Å; A171-L205 HydrophobicContact CB-CD1 4.11Å |
| 172 | S | 95.2 | Very high | 96.7 | Very high | 42 Ų | 42 | 66.5 Ų | 66.5 | 29% | 0.294 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.7 | -33.7 | 177.4 | -44.1 | 0 | 0 | 0 | 0 | 113 | N170 S176 C209 | N170-S172 PolarHBondContact O-N 2.69Å; N170-S172 WeakPolarHBondContact OD1-CB 3.32Å; N170-S172 PolarHBondContact OD1-N 2.85Å; N170-S172 PolarHBondContact OD1-OG 3.47Å; N170-S172 VanDerWaalsContact OD1-OG 3.11Å; S172-S176 VanDerWaalsContact O-CB 3.29Å; S172-S176 WeakPolarHBondContact O-CB 3.46Å; S172-S176 PolarHBondContact O-N 3.1Å; S172-S176 PolarHBondContact O-OG 3.27Å; S172-C209 PolarHBondContact OG-SG 2.85Å; S172-C209 VanDerWaalsContact OG-SG 3.38Å |
| 173 | E | 96.8 | Very high | 96.6 | Very high | 71 Ų | 71 | 65.5 Ų | 65.5 | 33% | 0.332 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.5 | -41.6 | 173.7 | -77.6 | 176.5 | -129.6 | 0 | 0 | 110.9 | L166 R169 N170 A171 Y177 | L166-E173 HydrophobicContact CB-CB 4.05Å; L166-E173 HydrophobicContact CD2-CB 4.28Å; L166-E173 WeakPolarHBondContact CD2-OE2 3.48Å; R169-E173 IonicContact NH1-OE2 2.95Å; N170-E173 HydrophobicContact CB-CB 4.21Å; N170-E173 HydrophobicContact CB-CG 4.02Å; N170-E173 WeakPolarHBondContact O-CB 3.48Å; N170-E173 PolarHBondContact O-N 3.43Å; N170-E173 VanDerWaalsContact O-N 3.09Å; A171-E173 PolarHBondContact O-N 3.4Å; E173-Y177 WeakPolarHBondContact O-CB 3.49Å; E173-Y177 PolarHBondContact O-N 3.03Å |
| 174 | L | 97.6 | Very high | 96.5 | Very high | 4 Ų | 4 | 68.5 Ų | 68.5 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.6 | -50.8 | 174.5 | 172.3 | 63.8 | 0 | 0 | 0 | 111.1 | A163 L166 W167 N170 A171 S176 Y177 L178 L194 | A163-L174 HydrophobicContact CB-CD1 3.58Å; L166-L174 HydrophobicContact CB-CB 4.45Å; W167-L174 HydrophobicContact CB-CD2 4.13Å; W167-L174 HydrophobicContact CD2-CD2 4.06Å; W167-L174 HydrophobicContact CE3-CB 4.33Å; W167-L174 HydrophobicContact CE3-CD2 3.47Å; W167-L174 VanDerWaalsContact CE3-CD2 3.47Å; W167-L174 HydrophobicContact CG-CD2 4.36Å; W167-L174 HydrophobicContact CZ3-CD2 4.19Å; N170-L174 PolarHBondContact O-N 3.46Å; A171-L174 PolarHBondContact O-N 3.47Å; L174-S176 PolarHBondContact O-N 3.38Å; L174-Y177 WeakPolarHBondContact O-CB 3.41Å; L174-Y177 PolarHBondContact O-N 3.06Å; L174-Y177 VanDerWaalsContact O-N 3.11Å; L174-L178 HydrophobicContact CD1-CD1 3.9Å; L174-L178 HydrophobicContact CD1-CD2 4.36Å; L174-L178 HydrophobicContact CD1-CG 3.91Å; L174-L178 HydrophobicContact CD2-CD1 4.38Å; L174-L178 HydrophobicContact CG-CD1 3.85Å; L174-L178 HydrophobicContact CG-CG 4.28Å; L174-L178 WeakPolarHBondContact O-CG 3.47Å; L174-L178 PolarHBondContact O-N 3.41Å; L174-L194 HydrophobicContact CD2-CD2 4.06Å |
| 175 | V | 97.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.012 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.2 | -43.3 | -178.2 | 167.8 | 0 | 0 | 0 | 0 | 111.1 | A171 Y177 L178 I179 L205 C209 D212 L213 | A171-V175 PolarHBondContact O-N 2.85Å; V175-Y177 PolarHBondContact O-N 3.32Å; V175-L178 PolarHBondContact O-N 3.27Å; V175-I179 HydrophobicContact CG1-CD1 3.57Å; V175-I179 HydrophobicContact CG1-CG1 4.34Å; V175-I179 WeakPolarHBondContact O-CB 3.29Å; V175-I179 VanDerWaalsContact O-CG1 3.26Å; V175-I179 WeakPolarHBondContact O-CG1 3.18Å; V175-I179 PolarHBondContact O-N 2.87Å; V175-L205 HydrophobicContact CG2-CD1 3.81Å; V175-C209 HydrophobicContact CB-CB 4.4Å; V175-C209 HydrophobicContact CG1-CB 4.33Å; V175-C209 HydrophobicContact CG2-CB 4.17Å; V175-D212 HydrophobicContact CG1-CB 4.4Å; V175-L213 HydrophobicContact CG1-CB 4.27Å; V175-L213 HydrophobicContact CG1-CD1 4.45Å; V175-L213 HydrophobicContact CG2-CD2 4.48Å |
| 176 | S | 97.9 | Very high | 96.5 | Very high | 76 Ų | 76 | 61.9 Ų | 61.9 | 53% | 0.531 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.1 | -37.1 | 173.7 | -58.7 | 0 | 0 | 0 | 0 | 112.6 | S172 L174 R180 | S172-S176 VanDerWaalsContact O-CB 3.29Å; S172-S176 WeakPolarHBondContact O-CB 3.46Å; S172-S176 PolarHBondContact O-N 3.1Å; S172-S176 PolarHBondContact O-OG 3.27Å; L174-S176 PolarHBondContact O-N 3.38Å; S176-R180 VanDerWaalsContact O-CB 3.26Å; S176-R180 WeakPolarHBondContact O-CB 3.5Å; S176-R180 PolarHBondContact O-N 3.07Å; S176-R180 VanDerWaalsContact O-N 3.14Å |
| 177 | Y | 98.4 | Very high | 96.5 | Very high | 20 Ų | 20 | 60.9 Ų | 60.9 | 8% | 0.078 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71 | -47.1 | 176.7 | 169.9 | -107.1 | 0 | 0 | 0 | 112.6 | R159 V162 A163 L166 E173 L174 V175 I179 R180 I181 | R159-Y177 WeakPolarHBondContact CA-OH 3.35Å; R159-Y177 WeakPolarHBondContact CB-OH 3.42Å; R159-Y177 PolarHBondContact O-OH 2.93Å; V162-Y177 HydrophobicContact CB-CE1 4.34Å; V162-Y177 HydrophobicContact CB-CE2 4.43Å; V162-Y177 HydrophobicContact CG1-CD2 4.17Å; V162-Y177 HydrophobicContact CG1-CE1 4.05Å; V162-Y177 HydrophobicContact CG1-CE2 3.66Å; A163-Y177 HydrophobicContact CB-CD1 4.32Å; A163-Y177 HydrophobicContact CB-CE1 4.03Å; L166-Y177 HydrophobicContact CD1-CD1 3.98Å; L166-Y177 HydrophobicContact CD1-CD2 4.07Å; L166-Y177 HydrophobicContact CD1-CG 3.55Å; E173-Y177 WeakPolarHBondContact O-CB 3.49Å; E173-Y177 PolarHBondContact O-N 3.03Å; L174-Y177 WeakPolarHBondContact O-CB 3.41Å; L174-Y177 PolarHBondContact O-N 3.06Å; L174-Y177 VanDerWaalsContact O-N 3.11Å; V175-Y177 PolarHBondContact O-N 3.32Å; Y177-I179 VanDerWaalsContact C-N 3.33Å; Y177-I179 PolarHBondContact O-N 2.94Å; Y177-R180 PolarHBondContact O-N 3.21Å; Y177-R180 VanDerWaalsContact O-N 3.11Å; Y177-I181 HydrophobicContact CD1-CD1 4.38Å; Y177-I181 HydrophobicContact CD2-CG2 3.91Å; Y177-I181 HydrophobicContact CE1-CD1 3.79Å; Y177-I181 HydrophobicContact CE2-CG2 3.48Å; Y177-I181 VanDerWaalsContact CE2-CG2 3.48Å; Y177-I181 WeakPolarHBondContact O-CG1 3.47Å; Y177-I181 PolarHBondContact O-N 2.89Å |
| 178 | L | 98.1 | Very high | 96.6 | Very high | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.3 | -47 | 176.3 | -68 | 172 | 0 | 0 | 0 | 111.1 | L174 V175 R180 I181 Q182 V186 L187 C190 L194 | L174-L178 HydrophobicContact CD1-CD1 3.9Å; L174-L178 HydrophobicContact CD1-CD2 4.36Å; L174-L178 HydrophobicContact CD1-CG 3.91Å; L174-L178 HydrophobicContact CD2-CD1 4.38Å; L174-L178 HydrophobicContact CG-CD1 3.85Å; L174-L178 HydrophobicContact CG-CG 4.28Å; L174-L178 WeakPolarHBondContact O-CG 3.47Å; L174-L178 PolarHBondContact O-N 3.41Å; V175-L178 PolarHBondContact O-N 3.27Å; L178-R180 VanDerWaalsContact C-N 3.27Å; L178-R180 PolarHBondContact O-N 3.45Å; L178-I181 WeakPolarHBondContact O-CG1 3.37Å; L178-I181 PolarHBondContact O-N 3.36Å; L178-Q182 PolarHBondContact O-N 3.36Å; L178-V186 HydrophobicContact CD2-CG1 3.86Å; L178-L187 HydrophobicContact CD1-CD1 4.01Å; L178-C190 HydrophobicContact CD1-CB 3.88Å; L178-C190 HydrophobicContact CD2-CB 4.28Å; L178-L194 HydrophobicContact CD1-CD1 4.38Å |
| 179 | I | 97.4 | Very high | 96.8 | Very high | 54 Ų | 54 | 52.1 Ų | 52.1 | 28% | 0.277 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.3 | -37.7 | 176.7 | -68 | 168 | 0 | 0 | 0 | 111.7 | V175 Y177 Q182 D212 L213 Q216 | V175-I179 HydrophobicContact CG1-CD1 3.57Å; V175-I179 HydrophobicContact CG1-CG1 4.34Å; V175-I179 WeakPolarHBondContact O-CB 3.29Å; V175-I179 VanDerWaalsContact O-CG1 3.26Å; V175-I179 WeakPolarHBondContact O-CG1 3.18Å; V175-I179 PolarHBondContact O-N 2.87Å; Y177-I179 VanDerWaalsContact C-N 3.33Å; Y177-I179 PolarHBondContact O-N 2.94Å; I179-Q182 WeakPolarHBondContact O-CG 3.41Å; I179-D212 HydrophobicContact CD1-CB 3.62Å; I179-D212 WeakPolarHBondContact CD1-O 3.44Å; I179-L213 HydrophobicContact CG1-CD1 4.34Å; I179-Q216 PolarHBondContact O-NE2 3.3Å |
| 180 | R | 97.8 | Very high | 97 | Very high | 186 Ų | 186 | 44.2 Ų | 44.2 | 70% | 0.702 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -76 | -32.6 | 179.8 | -175.3 | 171.7 | 64.1 | 87.9 | -4.5 | 114.1 | S176 Y177 L178 | S176-R180 VanDerWaalsContact O-CB 3.26Å; S176-R180 WeakPolarHBondContact O-CB 3.5Å; S176-R180 PolarHBondContact O-N 3.07Å; S176-R180 VanDerWaalsContact O-N 3.14Å; Y177-R180 PolarHBondContact O-N 3.21Å; Y177-R180 VanDerWaalsContact O-N 3.11Å; L178-R180 VanDerWaalsContact C-N 3.27Å; L178-R180 PolarHBondContact O-N 3.45Å |
| 181 | I | 96.9 | Very high | 97.2 | Very high | 48 Ų | 48 | 40.9 Ų | 40.9 | 25% | 0.246 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -86.3 | -27.3 | 179.9 | 65.5 | 172.1 | 0 | 0 | 0 | 113.5 | Y177 L178 D183 V186 | Y177-I181 HydrophobicContact CD1-CD1 4.38Å; Y177-I181 HydrophobicContact CD2-CG2 3.91Å; Y177-I181 HydrophobicContact CE1-CD1 3.79Å; Y177-I181 HydrophobicContact CE2-CG2 3.48Å; Y177-I181 VanDerWaalsContact CE2-CG2 3.48Å; Y177-I181 WeakPolarHBondContact O-CG1 3.47Å; Y177-I181 PolarHBondContact O-N 2.89Å; L178-I181 WeakPolarHBondContact O-CG1 3.37Å; L178-I181 PolarHBondContact O-N 3.36Å; I181-D183 HydrophobicContact CD1-CB 3.87Å; I181-D183 HydrophobicContact CG1-CB 4.06Å; I181-D183 PolarHBondContact O-N 3.44Å; I181-V186 HydrophobicContact CD1-CB 4.12Å; I181-V186 HydrophobicContact CD1-CG1 3.91Å; I181-V186 HydrophobicContact CD1-CG2 4.49Å |
| 182 | Q | 95.8 | Very high | 97.4 | Very high | 142 Ų | 142 | 43.2 Ų | 43.2 | 66% | 0.664 | 23% | 0.227 | S | C | * | . | trans | 54.5 | 24.2 | -179.8 | -49.6 | -168.7 | -0.5 | 0 | 0 | 114.3 | L178 I179 T184 | L178-Q182 PolarHBondContact O-N 3.36Å; I179-Q182 WeakPolarHBondContact O-CG 3.41Å; Q182-T184 PolarHBondContact O-N 3.08Å | ||
| 183 | D | 96.8 | Very high | 97.5 | Very high | 35 Ų | 35 | 44.6 Ų | 44.6 | 19% | 0.187 | 23% | 0.233 | C | C | . | . | trans | -82.8 | 99.5 | 176.8 | -174.8 | -31.7 | 0 | 0 | 0 | 109.4 | R159 I181 G185 V186 L187 | R159-D183 WeakPolarHBondContact CD-OD2 3.27Å; R159-D183 IonicContact CZ-OD2 2.67Å; R159-D183 IonicContact NE-OD2 2.69Å; R159-D183 IonicContact NH1-OD2 3.23Å; R159-D183 PolarHBondContact NH1-OD2 3.39Å; I181-D183 HydrophobicContact CD1-CB 3.87Å; I181-D183 HydrophobicContact CG1-CB 4.06Å; I181-D183 PolarHBondContact O-N 3.44Å; D183-G185 PolarHBondContact O-N 2.65Å; D183-G185 WeakPolarHBondContact OD1-CA 3.47Å; D183-G185 PolarHBondContact OD1-N 2.72Å; D183-V186 HydrophobicContact CB-CB 4.06Å; D183-V186 HydrophobicContact CB-CG2 4.05Å; D183-V186 VanDerWaalsContact CG-CG2 3.44Å; D183-V186 PolarHBondContact O-N 2.92Å; D183-V186 PolarHBondContact OD1-N 2.91Å; D183-V186 WeakPolarHBondContact OD2-CG2 3.34Å; D183-L187 PolarHBondContact O-N 3.19Å | ||
| 184 | T | 96.4 | Very high | 97.5 | Very high | 66 Ų | 66 | 41.2 Ų | 41.2 | 41% | 0.405 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -57.1 | -31.4 | 179.8 | -44.4 | 0 | 0 | 0 | 0 | 112.6 | Q182 L188 I220 | Q182-T184 PolarHBondContact O-N 3.08Å; T184-L188 HydrophobicContact CG2-CD1 4.12Å; T184-L188 WeakPolarHBondContact O-CB 3.31Å; T184-L188 WeakPolarHBondContact O-CD1 3.47Å; T184-L188 VanDerWaalsContact O-CG 3.23Å; T184-L188 WeakPolarHBondContact O-CG 3.41Å; T184-L188 PolarHBondContact O-N 3.3Å; T184-I220 HydrophobicContact CG2-CD1 4.18Å; T184-I220 HydrophobicContact CG2-CG1 3.82Å |
| 185 | G | 96.5 | Very high | 97.5 | Very high | 16 Ų | 16 | 41.4 Ų | 41.4 | 17% | 0.165 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.5 | -50 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | R156 D183 L187 L188 D189 | R156-G185 PolarHBondContact NH2-O 3.11Å; D183-G185 PolarHBondContact O-N 2.65Å; D183-G185 WeakPolarHBondContact OD1-CA 3.47Å; D183-G185 PolarHBondContact OD1-N 2.72Å; G185-L187 VanDerWaalsContact C-N 3.31Å; G185-L187 PolarHBondContact O-N 2.86Å; G185-L188 PolarHBondContact O-N 2.85Å; G185-D189 PolarHBondContact O-N 3.26Å; G185-D189 VanDerWaalsContact O-N 3.1Å; G185-D189 VanDerWaalsContact O-OD2 3.05Å |
| 186 | V | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.4 | -36.2 | 177.1 | 177.8 | 0 | 0 | 0 | 0 | 111.4 | R156 R159 L160 L178 I181 D183 D189 C190 | R156-V186 HydrophobicContact CG-CG2 4.07Å; R159-V186 HydrophobicContact CB-CG1 4.32Å; R159-V186 HydrophobicContact CB-CG2 3.63Å; R159-V186 HydrophobicContact CG-CG2 4.43Å; L160-V186 HydrophobicContact CD2-CG1 3.99Å; L178-V186 HydrophobicContact CD2-CG1 3.86Å; I181-V186 HydrophobicContact CD1-CB 4.12Å; I181-V186 HydrophobicContact CD1-CG1 3.91Å; I181-V186 HydrophobicContact CD1-CG2 4.49Å; D183-V186 HydrophobicContact CB-CB 4.06Å; D183-V186 HydrophobicContact CB-CG2 4.05Å; D183-V186 VanDerWaalsContact CG-CG2 3.44Å; D183-V186 PolarHBondContact O-N 2.92Å; D183-V186 PolarHBondContact OD1-N 2.91Å; D183-V186 WeakPolarHBondContact OD2-CG2 3.34Å; V186-D189 PolarHBondContact O-N 3.02Å; V186-C190 WeakPolarHBondContact O-CB 3.49Å; V186-C190 PolarHBondContact O-N 3.27Å; V186-C190 VanDerWaalsContact O-N 3.11Å; V186-C190 PolarHBondContact O-SG 3.19Å |
| 187 | L | 98.2 | Very high | 97.2 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.1 | -43.2 | 173.2 | 177.3 | 56.3 | 0 | 0 | 0 | 111.8 | L178 D183 G185 D189 C190 L191 L213 Q216 I220 | L178-L187 HydrophobicContact CD1-CD1 4.01Å; D183-L187 PolarHBondContact O-N 3.19Å; G185-L187 VanDerWaalsContact C-N 3.31Å; G185-L187 PolarHBondContact O-N 2.86Å; L187-D189 VanDerWaalsContact C-N 3.3Å; L187-D189 PolarHBondContact O-N 3.2Å; L187-C190 PolarHBondContact O-N 3.41Å; L187-C190 VanDerWaalsContact O-N 3.1Å; L187-L191 HydrophobicContact CD1-CD1 4.24Å; L187-L191 HydrophobicContact CD1-CD2 4.23Å; L187-L191 HydrophobicContact CD1-CG 3.82Å; L187-L191 HydrophobicContact CG-CD1 4Å; L187-L191 HydrophobicContact CG-CG 4.12Å; L187-L191 WeakPolarHBondContact O-CB 3.46Å; L187-L191 WeakPolarHBondContact O-CG 3.47Å; L187-L191 PolarHBondContact O-N 3.24Å; L187-L213 HydrophobicContact CD1-CD1 3.82Å; L187-L213 HydrophobicContact CD1-CD2 4.33Å; L187-L213 HydrophobicContact CD1-CG 4.41Å; L187-Q216 HydrophobicContact CD2-CB 3.57Å; L187-I220 HydrophobicContact CD2-CD1 3.53Å; L187-I220 HydrophobicContact CG-CD1 3.79Å |
| 188 | L | 98.2 | Very high | 97.1 | Very high | 19 Ų | 19 | 42.7 Ų | 42.7 | 10% | 0.099 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.4 | -32.7 | 177.1 | -78 | 163.2 | 0 | 0 | 0 | 113.2 | T184 G185 P192 I220 H228 V231 | T184-L188 HydrophobicContact CG2-CD1 4.12Å; T184-L188 WeakPolarHBondContact O-CB 3.31Å; T184-L188 WeakPolarHBondContact O-CD1 3.47Å; T184-L188 VanDerWaalsContact O-CG 3.23Å; T184-L188 WeakPolarHBondContact O-CG 3.41Å; T184-L188 PolarHBondContact O-N 3.3Å; G185-L188 PolarHBondContact O-N 2.85Å; L188-P192 WeakPolarHBondContact O-CD 3.45Å; L188-I220 HydrophobicContact CD2-CD1 4.22Å; L188-I220 HydrophobicContact CD2-CG2 3.84Å; L188-I220 HydrophobicContact CG-CD1 4.21Å; L188-H228 HydrophobicContact CD1-CB 4.31Å; L188-H228 HydrophobicContact CD2-CB 4.09Å; L188-V231 HydrophobicContact CD2-CB 4.24Å; L188-V231 HydrophobicContact CD2-CG1 4.09Å |
| 189 | D | 98.1 | Very high | 96.8 | Very high | 58 Ų | 58 | 47.9 Ų | 47.9 | 31% | 0.31 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -69.6 | -36.5 | 171.8 | -58.2 | -43.4 | 0 | 0 | 0 | 112.1 | R156 L160 G185 V186 L187 | R156-D189 IonicContact CZ-OD1 2.68Å; R156-D189 IonicContact CZ-OD2 3.47Å; R156-D189 VanDerWaalsContact CZ-OD2 3.31Å; R156-D189 IonicContact NE-OD1 3.31Å; R156-D189 IonicContact NE-OD2 3.6Å; R156-D189 PolarHBondContact NE-OD2 2.95Å; R156-D189 IonicContact NH2-OD1 2.72Å; R156-D189 PolarHBondContact NH2-OD1 3.28Å; R156-D189 IonicContact NH2-OD2 3.5Å; R156-D189 PolarHBondContact NH2-OD2 3.25Å; R156-D189 VanDerWaalsContact NH2-OD2 3.08Å; L160-D189 HydrophobicContact CD2-CB 3.6Å; G185-D189 PolarHBondContact O-N 3.26Å; G185-D189 VanDerWaalsContact O-N 3.1Å; G185-D189 VanDerWaalsContact O-OD2 3.05Å; V186-D189 PolarHBondContact O-N 3.02Å; L187-D189 VanDerWaalsContact C-N 3.3Å; L187-D189 PolarHBondContact O-N 3.2Å |
| 190 | C | 97.9 | Very high | 96.5 | Very high | 10 Ų | 10 | 48.2 Ų | 48.2 | 7% | 0.068 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -81 | -30.5 | -176.3 | -66.3 | 0 | 0 | 0 | 0 | 112.7 | L178 V186 L187 V193 L194 | L178-C190 HydrophobicContact CD1-CB 3.88Å; L178-C190 HydrophobicContact CD2-CB 4.28Å; V186-C190 WeakPolarHBondContact O-CB 3.49Å; V186-C190 PolarHBondContact O-N 3.27Å; V186-C190 VanDerWaalsContact O-N 3.11Å; V186-C190 PolarHBondContact O-SG 3.19Å; L187-C190 PolarHBondContact O-N 3.41Å; L187-C190 VanDerWaalsContact O-N 3.1Å; C190-V193 WeakPolarHBondContact O-CB 3.48Å; C190-V193 PolarHBondContact O-N 3.09Å; C190-L194 WeakPolarHBondContact O-CG 3.42Å; C190-L194 PolarHBondContact O-N 2.81Å |
| 191 | L | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -55.9 | -47.9 | -177.6 | -85.9 | 170.5 | 0 | 0 | 0 | 113.1 | L187 V193 L194 T195 L213 V217 I220 V231 W235 | L187-L191 HydrophobicContact CD1-CD1 4.24Å; L187-L191 HydrophobicContact CD1-CD2 4.23Å; L187-L191 HydrophobicContact CD1-CG 3.82Å; L187-L191 HydrophobicContact CG-CD1 4Å; L187-L191 HydrophobicContact CG-CG 4.12Å; L187-L191 WeakPolarHBondContact O-CB 3.46Å; L187-L191 WeakPolarHBondContact O-CG 3.47Å; L187-L191 PolarHBondContact O-N 3.24Å; L191-V193 VanDerWaalsContact C-N 3.27Å; L191-V193 PolarHBondContact O-N 3.49Å; L191-L194 PolarHBondContact O-N 3.49Å; L191-L194 VanDerWaalsContact O-N 3.13Å; L191-T195 WeakPolarHBondContact O-CB 3.39Å; L191-T195 PolarHBondContact O-N 3.32Å; L191-T195 PolarHBondContact O-OG1 2.99Å; L191-L213 HydrophobicContact CD2-CD2 4.19Å; L191-V217 HydrophobicContact CD1-CG2 4.41Å; L191-V217 HydrophobicContact CD2-CG2 3.94Å; L191-I220 HydrophobicContact CD1-CD1 3.68Å; L191-V231 HydrophobicContact CB-CG1 3.63Å; L191-V231 HydrophobicContact CD1-CG1 4.16Å; L191-W235 HydrophobicContact CD2-CB 3.99Å; L191-W235 HydrophobicContact CD2-CD2 3.9Å; L191-W235 HydrophobicContact CD2-CG 3.55Å |
| 192 | P | 97.7 | Very high | 94.9 | Very high | 53 Ų | 53 | 49.6 Ų | 49.6 | 34% | 0.344 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.2 | -35.6 | 174.3 | -27.5 | 35.9 | 0 | 0 | 0 | 114 | L188 N196 V231 | L188-P192 WeakPolarHBondContact O-CD 3.45Å; P192-N196 WeakPolarHBondContact O-CB 3.3Å; P192-N196 VanDerWaalsContact O-CG 3.23Å; P192-N196 PolarHBondContact O-N 3.36Å; P192-N196 PolarHBondContact O-ND2 2.88Å; P192-V231 HydrophobicContact CG-CG1 4.1Å |
| 193 | V | 96.7 | Very high | 94.3 | Very high | 70 Ų | 70 | 44.6 Ų | 44.6 | 42% | 0.424 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -68.6 | -41.4 | 176.7 | -174.6 | 0 | 0 | 0 | 0 | 110.9 | W167 C190 L191 N197 | W167-V193 HydrophobicContact CZ2-CG1 4.19Å; C190-V193 WeakPolarHBondContact O-CB 3.48Å; C190-V193 PolarHBondContact O-N 3.09Å; L191-V193 VanDerWaalsContact C-N 3.27Å; L191-V193 PolarHBondContact O-N 3.49Å; V193-N197 PolarHBondContact O-N 2.9Å |
| 194 | L | 97 | Very high | 93.8 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.1 | -41.1 | 175.2 | -63.9 | 173.8 | 0 | 0 | 0 | 112 | W167 L174 L178 C190 L191 N197 L198 L205 L213 | W167-L194 HydrophobicContact CE3-CD2 4.26Å; W167-L194 HydrophobicContact CH2-CD2 3.96Å; W167-L194 HydrophobicContact CZ3-CD2 3.53Å; L174-L194 HydrophobicContact CD2-CD2 4.06Å; L178-L194 HydrophobicContact CD1-CD1 4.38Å; C190-L194 WeakPolarHBondContact O-CG 3.42Å; C190-L194 PolarHBondContact O-N 2.81Å; L191-L194 PolarHBondContact O-N 3.49Å; L191-L194 VanDerWaalsContact O-N 3.13Å; L194-N197 PolarHBondContact O-N 3.25Å; L194-L198 WeakPolarHBondContact O-CG 3.38Å; L194-L198 PolarHBondContact O-N 3.33Å; L194-L205 HydrophobicContact CB-CD2 4.25Å; L194-L205 HydrophobicContact CD2-CD1 4.06Å; L194-L205 HydrophobicContact CD2-CD2 4.16Å; L194-L213 HydrophobicContact CD1-CD2 3.55Å |
| 195 | T | 97.1 | Very high | 93.7 | Very high | 9 Ų | 9 | 43.9 Ų | 43.9 | 6% | 0.055 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.9 | -49.6 | 173.7 | -62.9 | 0 | 0 | 0 | 0 | 110.8 | L191 N197 L198 Q199 W235 S238 | L191-T195 WeakPolarHBondContact O-CB 3.39Å; L191-T195 PolarHBondContact O-N 3.32Å; L191-T195 PolarHBondContact O-OG1 2.99Å; T195-N197 VanDerWaalsContact C-N 3.32Å; T195-N197 PolarHBondContact O-N 3.24Å; T195-L198 PolarHBondContact O-N 2.98Å; T195-Q199 WeakPolarHBondContact O-CG 3.2Å; T195-Q199 PolarHBondContact O-N 3.41Å; T195-W235 WeakPolarHBondContact OG1-CA 3.42Å; T195-W235 WeakPolarHBondContact OG1-CB 3.42Å; T195-S238 WeakPolarHBondContact CG2-OG 3.41Å |
| 196 | N | 95.9 | Very high | 93.6 | Very high | 102 Ų | 102 | 45.6 Ų | 45.6 | 55% | 0.545 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.2 | -37.1 | 177.2 | -72.2 | -22.5 | 0 | 0 | 0 | 112 | P192 Q199 | P192-N196 WeakPolarHBondContact O-CB 3.3Å; P192-N196 VanDerWaalsContact O-CG 3.23Å; P192-N196 PolarHBondContact O-N 3.36Å; P192-N196 PolarHBondContact O-ND2 2.88Å; N196-Q199 PolarHBondContact O-N 3.15Å |
| 197 | N | 94.9 | Very high | 93.4 | Very high | 19 Ų | 19 | 46.2 Ų | 46.2 | 10% | 0.102 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.8 | -38.7 | 175.7 | -173 | -110.5 | 0 | 0 | 0 | 112.8 | W167 V193 L194 T195 Q199 T200 P203 C204 L205 | W167-N197 HydrophobicContact CH2-CB 3.75Å; W167-N197 HydrophobicContact CZ2-CB 3.96Å; V193-N197 PolarHBondContact O-N 2.9Å; L194-N197 PolarHBondContact O-N 3.25Å; T195-N197 VanDerWaalsContact C-N 3.32Å; T195-N197 PolarHBondContact O-N 3.24Å; N197-Q199 PolarHBondContact O-N 3.15Å; N197-T200 PolarHBondContact O-N 3.48Å; N197-T200 PolarHBondContact O-OG1 3.34Å; N197-P203 WeakPolarHBondContact O-CB 2.84Å; N197-C204 PolarHBondContact ND2-N 3.11Å; N197-C204 PolarHBondContact OD1-N 3.36Å; N197-L205 PolarHBondContact OD1-N 2.92Å; N197-L205 VanDerWaalsContact OD1-N 3.09Å |
| 198 | L | 95.1 | Very high | 93.3 | Very high | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.5 | -24.7 | 174.3 | -75.8 | 165.4 | 0 | 0 | 0 | 113.2 | L194 T195 L205 V239 K242 | L194-L198 WeakPolarHBondContact O-CG 3.38Å; L194-L198 PolarHBondContact O-N 3.33Å; T195-L198 PolarHBondContact O-N 2.98Å; L198-L205 HydrophobicContact CD1-CD2 4.01Å; L198-L205 HydrophobicContact CD2-CB 4.47Å; L198-L205 HydrophobicContact CD2-CD2 4.11Å; L198-L205 HydrophobicContact CG-CD2 3.94Å; L198-V239 HydrophobicContact CD1-CB 4.49Å; L198-V239 HydrophobicContact CD1-CG2 3.5Å; L198-V239 VanDerWaalsContact CD1-CG2 3.5Å; L198-K242 HydrophobicContact CD2-CB 4.43Å; L198-K242 HydrophobicContact CD2-CG 4.47Å; L198-K242 WeakPolarHBondContact O-CD 3.3Å |
| 199 | Q | 92.9 | Very high | 93.2 | Very high | 111 Ų | 111 | 45.9 Ų | 45.9 | 52% | 0.519 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -3.1 | 178.1 | -66.1 | 177 | 19.6 | 0 | 0 | 113.5 | T195 N196 N197 S238 | T195-Q199 WeakPolarHBondContact O-CG 3.2Å; T195-Q199 PolarHBondContact O-N 3.41Å; N196-Q199 PolarHBondContact O-N 3.15Å; N197-Q199 PolarHBondContact O-N 3.15Å; Q199-S238 PolarHBondContact NE2-OG 3.14Å |
| 200 | T | 90.8 | Very high | 93.1 | Very high | 62 Ų | 62 | 43.1 Ų | 43.1 | 38% | 0.38 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -83.2 | 158.9 | 172.6 | 71 | 0 | 0 | 0 | 0 | 112.3 | N197 A202 K242 | N197-T200 PolarHBondContact O-N 3.48Å; N197-T200 PolarHBondContact O-OG1 3.34Å; T200-A202 PolarHBondContact O-N 3.34Å; T200-A202 PolarHBondContact OG1-O 3.19Å; T200-K242 PolarHBondContact O-NZ 3.31Å |
| 201 | E | 79 | Confident | 93 | Very high | 181 Ų | 181 | 43.2 Ų | 43.2 | 85% | 0.846 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -54.9 | -52.6 | 175.8 | -59.4 | -57.5 | 155.9 | 0 | 0 | 111.3 | P203 K242 | E201-P203 WeakPolarHBondContact O-CD 3.36Å; E201-K242 PolarHBondContact O-NZ 2.83Å |
| 202 | A | 81.2 | Confident | 93 | Very high | 81 Ų | 81 | 47.9 Ų | 47.9 | 67% | 0.669 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -109 | 85.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | T200 | T200-A202 PolarHBondContact O-N 3.34Å; T200-A202 PolarHBondContact OG1-O 3.19Å |
| 203 | P | 83.1 | Confident | 92.9 | Very high | 37 Ų | 37 | 45.3 Ų | 45.3 | 24% | 0.24 | 26% | 0.264 | C | S | . | . | trans | -67.8 | 148.7 | 174.8 | 31.8 | -38.3 | 0 | 0 | 0 | 110.3 | N197 E201 | N197-P203 WeakPolarHBondContact O-CB 2.84Å; E201-P203 WeakPolarHBondContact O-CD 3.36Å | ||
| 204 | C | 87.4 | Confident | 92.9 | Very high | 85 Ų | 85 | 42.2 Ų | 42.2 | 57% | 0.574 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -89.3 | -19.4 | 171.7 | -50.7 | 0 | 0 | 0 | 0 | 111.2 | A171 N197 | A171-C204 HydrophobicContact CB-CB 4.22Å; A171-C204 WeakPolarHBondContact CB-O 3.34Å; N197-C204 PolarHBondContact ND2-N 3.11Å; N197-C204 PolarHBondContact OD1-N 3.36Å |
| 205 | L | 93.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -83.8 | 116.2 | -179.3 | -167.6 | 67.2 | 0 | 0 | 0 | 111.1 | A171 V175 L194 N197 L198 C209 | A171-L205 HydrophobicContact CB-CD1 4.11Å; V175-L205 HydrophobicContact CG2-CD1 3.81Å; L194-L205 HydrophobicContact CB-CD2 4.25Å; L194-L205 HydrophobicContact CD2-CD1 4.06Å; L194-L205 HydrophobicContact CD2-CD2 4.16Å; N197-L205 PolarHBondContact OD1-N 2.92Å; N197-L205 VanDerWaalsContact OD1-N 3.09Å; L198-L205 HydrophobicContact CD1-CD2 4.01Å; L198-L205 HydrophobicContact CD2-CB 4.47Å; L198-L205 HydrophobicContact CD2-CD2 4.11Å; L198-L205 HydrophobicContact CG-CD2 3.94Å; L205-C209 HydrophobicContact CD1-CB 3.44Å; L205-C209 VanDerWaalsContact CD1-CB 3.44Å; L205-C209 HydrophobicContact CG-CB 4.12Å |
| 206 | S | 94.1 | Very high | 92.8 | Very high | 52 Ų | 52 | 46.2 Ų | 46.2 | 36% | 0.364 | 27% | 0.269 | S | S | . | . | trans | -78.2 | 161.2 | 177.5 | 73.8 | 0 | 0 | 0 | 0 | 112.7 | G208 C209 C210 | S206-G208 VanDerWaalsContact C-N 3.27Å; S206-G208 PolarHBondContact O-N 3.39Å; S206-C209 WeakPolarHBondContact O-CB 3.33Å; S206-C209 PolarHBondContact O-N 2.73Å; S206-C209 VanDerWaalsContact O-N 3.14Å; S206-C209 PolarHBondContact OG-N 2.85Å; S206-C209 PolarHBondContact OG-SG 3.26Å; S206-C210 PolarHBondContact O-N 3.46Å; S206-C210 VanDerWaalsContact O-N 3.15Å; S206-C210 PolarHBondContact O-SG 3.21Å; S206-C210 VanDerWaalsContact O-SG 3.36Å | ||
| 207 | L | 95 | Very high | 92.8 | Very high | 12 Ų | 12 | 41.4 Ų | 41.4 | 6% | 0.063 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.7 | -39.1 | 175 | -179.8 | 59.5 | 0 | 0 | 0 | 112.3 | C209 C210 V211 W243 N263 V264 M267 | L207-C209 PolarHBondContact O-N 3.32Å; L207-C210 WeakPolarHBondContact O-CA 3.5Å; L207-C210 WeakPolarHBondContact O-CB 3.43Å; L207-C210 PolarHBondContact O-N 2.97Å; L207-C210 VanDerWaalsContact O-N 3.09Å; L207-V211 PolarHBondContact O-N 3.2Å; L207-W243 HydrophobicContact CB-CD2 4.1Å; L207-W243 HydrophobicContact CB-CE3 4.22Å; L207-W243 HydrophobicContact CB-CH2 4.04Å; L207-W243 HydrophobicContact CB-CZ2 3.91Å; L207-W243 HydrophobicContact CB-CZ3 4.18Å; L207-W243 HydrophobicContact CD1-CB 4.28Å; L207-W243 HydrophobicContact CD1-CD2 3.95Å; L207-W243 HydrophobicContact CD1-CG 3.79Å; L207-W243 HydrophobicContact CD2-CE3 4.45Å; L207-W243 HydrophobicContact CG-CD2 4.45Å; L207-N263 HydrophobicContact CD2-CB 4.09Å; L207-N263 HydrophobicContact CG-CB 4.12Å; L207-V264 HydrophobicContact CD2-CB 4.3Å; L207-V264 HydrophobicContact CD2-CG2 3.49Å; L207-V264 VanDerWaalsContact CD2-CG2 3.49Å; L207-M267 HydrophobicContact CD1-CB 4.03Å; L207-M267 HydrophobicContact CD1-CE 3.75Å; L207-M267 HydrophobicContact CD1-CG 3.95Å |
| 208 | G | 95 | Very high | 92.8 | Very high | 10 Ų | 10 | 43 Ų | 43 | 10% | 0.103 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.8 | -44.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S206 C210 V211 D212 | S206-G208 VanDerWaalsContact C-N 3.27Å; S206-G208 PolarHBondContact O-N 3.39Å; G208-C210 PolarHBondContact O-N 3.28Å; G208-V211 WeakPolarHBondContact O-CA 3.49Å; G208-V211 WeakPolarHBondContact O-CB 3.36Å; G208-V211 PolarHBondContact O-N 2.98Å; G208-D212 PolarHBondContact O-N 2.92Å |
| 209 | C | 95.9 | Very high | 92.8 | Very high | 7 Ų | 7 | 47.6 Ų | 47.6 | 5% | 0.047 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.9 | -32.9 | 174.4 | -62.3 | 0 | 0 | 0 | 0 | 112.4 | S172 V175 L205 S206 L207 L213 | S172-C209 PolarHBondContact OG-SG 2.85Å; S172-C209 VanDerWaalsContact OG-SG 3.38Å; V175-C209 HydrophobicContact CB-CB 4.4Å; V175-C209 HydrophobicContact CG1-CB 4.33Å; V175-C209 HydrophobicContact CG2-CB 4.17Å; L205-C209 HydrophobicContact CD1-CB 3.44Å; L205-C209 VanDerWaalsContact CD1-CB 3.44Å; L205-C209 HydrophobicContact CG-CB 4.12Å; S206-C209 WeakPolarHBondContact O-CB 3.33Å; S206-C209 PolarHBondContact O-N 2.73Å; S206-C209 VanDerWaalsContact O-N 3.14Å; S206-C209 PolarHBondContact OG-N 2.85Å; S206-C209 PolarHBondContact OG-SG 3.26Å; L207-C209 PolarHBondContact O-N 3.32Å; C209-L213 WeakPolarHBondContact O-CB 3.5Å; C209-L213 PolarHBondContact O-N 3.05Å; C209-L213 VanDerWaalsContact O-N 3.16Å |
| 210 | C | 96.9 | Very high | 93 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.4 | -40.6 | 173.8 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | S206 L207 G208 D212 L213 L214 W235 V239 M267 | S206-C210 PolarHBondContact O-N 3.46Å; S206-C210 VanDerWaalsContact O-N 3.15Å; S206-C210 PolarHBondContact O-SG 3.21Å; S206-C210 VanDerWaalsContact O-SG 3.36Å; L207-C210 WeakPolarHBondContact O-CA 3.5Å; L207-C210 WeakPolarHBondContact O-CB 3.43Å; L207-C210 PolarHBondContact O-N 2.97Å; L207-C210 VanDerWaalsContact O-N 3.09Å; G208-C210 PolarHBondContact O-N 3.28Å; C210-D212 VanDerWaalsContact C-N 3.34Å; C210-D212 PolarHBondContact O-N 2.92Å; C210-L213 PolarHBondContact O-N 2.81Å; C210-L214 VanDerWaalsContact O-CB 3.29Å; C210-L214 WeakPolarHBondContact O-CB 3.28Å; C210-L214 PolarHBondContact O-N 3.22Å; C210-L214 VanDerWaalsContact O-N 3.07Å; C210-W235 HydrophobicContact CB-CH2 4.23Å; C210-W235 HydrophobicContact CB-CZ2 4.22Å; C210-V239 HydrophobicContact CB-CG1 4.18Å; C210-V239 HydrophobicContact CB-CG2 4.24Å; C210-M267 HydrophobicContact CB-CE 3.38Å |
| 211 | V | 96.6 | Very high | 93.2 | Very high | 12 Ų | 12 | 40.2 Ų | 40.2 | 7% | 0.073 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.4 | -45.6 | 173.8 | 167.8 | 0 | 0 | 0 | 0 | 111.3 | L207 G208 P215 V266 M267 | L207-V211 PolarHBondContact O-N 3.2Å; G208-V211 WeakPolarHBondContact O-CA 3.49Å; G208-V211 WeakPolarHBondContact O-CB 3.36Å; G208-V211 PolarHBondContact O-N 2.98Å; V211-P215 WeakPolarHBondContact O-CD 3.3Å; V211-V266 HydrophobicContact CG1-CB 4.43Å; V211-V266 HydrophobicContact CG1-CG1 3.52Å; V211-V266 HydrophobicContact CG2-CG1 4.44Å; V211-M267 HydrophobicContact CG2-CB 3.87Å; V211-M267 HydrophobicContact CG2-CE 3.86Å |
| 212 | D | 96.4 | Very high | 93.9 | Very high | 97 Ų | 97 | 35.8 Ų | 35.8 | 52% | 0.519 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -70.2 | -32.2 | -176.8 | -66.7 | -32.3 | 0 | 0 | 0 | 112.8 | V175 I179 G208 C210 P215 | V175-D212 HydrophobicContact CG1-CB 4.4Å; I179-D212 HydrophobicContact CD1-CB 3.62Å; I179-D212 WeakPolarHBondContact CD1-O 3.44Å; G208-D212 PolarHBondContact O-N 2.92Å; C210-D212 VanDerWaalsContact C-N 3.34Å; C210-D212 PolarHBondContact O-N 2.92Å; D212-P215 WeakPolarHBondContact O-CD 3.49Å |
| 213 | L | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -83.2 | -28.5 | -179.5 | -164.3 | 63.8 | 0 | 0 | 0 | 113.5 | V175 I179 L187 L191 L194 C209 C210 P215 Q216 V217 W235 | V175-L213 HydrophobicContact CG1-CB 4.27Å; V175-L213 HydrophobicContact CG1-CD1 4.45Å; V175-L213 HydrophobicContact CG2-CD2 4.48Å; I179-L213 HydrophobicContact CG1-CD1 4.34Å; L187-L213 HydrophobicContact CD1-CD1 3.82Å; L187-L213 HydrophobicContact CD1-CD2 4.33Å; L187-L213 HydrophobicContact CD1-CG 4.41Å; L191-L213 HydrophobicContact CD2-CD2 4.19Å; L194-L213 HydrophobicContact CD1-CD2 3.55Å; C209-L213 WeakPolarHBondContact O-CB 3.5Å; C209-L213 PolarHBondContact O-N 3.05Å; C209-L213 VanDerWaalsContact O-N 3.16Å; C210-L213 PolarHBondContact O-N 2.81Å; L213-P215 VanDerWaalsContact C-CD 3.42Å; L213-P215 VanDerWaalsContact C-N 3.34Å; L213-Q216 PolarHBondContact O-N 3.43Å; L213-V217 HydrophobicContact CG-CG2 4.29Å; L213-V217 PolarHBondContact O-N 2.68Å; L213-W235 HydrophobicContact CB-CH2 4.22Å; L213-W235 HydrophobicContact CB-CZ2 4.24Å; L213-W235 HydrophobicContact CD2-CH2 4.45Å; L213-W235 HydrophobicContact CD2-CZ2 3.83Å; L213-W235 HydrophobicContact CG-CZ2 4.41Å |
| 214 | L | 96.5 | Very high | 95.1 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -54 | -35.4 | -175 | -176.4 | 55.9 | 0 | 0 | 0 | 114.9 | C210 Q216 V217 K218 W235 V236 M267 R270 L271 L274 | C210-L214 VanDerWaalsContact O-CB 3.29Å; C210-L214 WeakPolarHBondContact O-CB 3.28Å; C210-L214 PolarHBondContact O-N 3.22Å; C210-L214 VanDerWaalsContact O-N 3.07Å; L214-Q216 VanDerWaalsContact C-N 3.34Å; L214-Q216 PolarHBondContact O-N 3.11Å; L214-V217 PolarHBondContact O-N 3.04Å; L214-K218 PolarHBondContact O-N 2.82Å; L214-W235 HydrophobicContact CB-CH2 4.5Å; L214-W235 HydrophobicContact CD1-CZ3 4.04Å; L214-V236 HydrophobicContact CD1-CG2 4.47Å; L214-M267 HydrophobicContact CD2-SD 3.66Å; L214-R270 HydrophobicContact CD2-CB 3.48Å; L214-R270 VanDerWaalsContact CD2-CB 3.48Å; L214-R270 HydrophobicContact CG-CB 4.36Å; L214-L271 HydrophobicContact CD1-CD2 4.49Å; L214-L271 HydrophobicContact CD2-CD2 4.03Å; L214-L271 HydrophobicContact CD2-CG 4.23Å; L214-L274 HydrophobicContact CD1-CD1 4.1Å; L214-L274 HydrophobicContact CD1-CD2 4.06Å |
| 215 | P | 95.1 | Very high | 95.4 | Very high | 62 Ų | 62 | 41.6 Ų | 41.6 | 40% | 0.403 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.1 | -33.8 | 171.7 | -25.6 | 35.7 | 0 | 0 | 0 | 114.6 | V211 D212 L213 K218 V219 | V211-P215 WeakPolarHBondContact O-CD 3.3Å; D212-P215 WeakPolarHBondContact O-CD 3.49Å; L213-P215 VanDerWaalsContact C-CD 3.42Å; L213-P215 VanDerWaalsContact C-N 3.34Å; P215-K218 WeakPolarHBondContact O-CB 3.49Å; P215-V219 PolarHBondContact O-N 3.43Å |
| 216 | Q | 95.8 | Very high | 95.5 | Very high | 32 Ų | 32 | 47.3 Ų | 47.3 | 15% | 0.15 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -77.2 | -36 | 175.6 | -63.4 | -161.1 | -18.9 | 0 | 0 | 111.4 | I179 L187 L213 L214 K218 V219 I220 | I179-Q216 PolarHBondContact O-NE2 3.3Å; L187-Q216 HydrophobicContact CD2-CB 3.57Å; L213-Q216 PolarHBondContact O-N 3.43Å; L214-Q216 VanDerWaalsContact C-N 3.34Å; L214-Q216 PolarHBondContact O-N 3.11Å; Q216-K218 VanDerWaalsContact C-N 3.26Å; Q216-K218 PolarHBondContact O-N 3.1Å; Q216-V219 WeakPolarHBondContact O-CB 3.36Å; Q216-V219 PolarHBondContact O-N 3.29Å; Q216-V219 VanDerWaalsContact O-N 3.15Å; Q216-I220 WeakPolarHBondContact O-CG1 3.16Å; Q216-I220 PolarHBondContact O-N 2.94Å; Q216-I220 VanDerWaalsContact O-N 3.11Å |
| 217 | V | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.3 | -34.2 | 173.1 | -177.6 | 0 | 0 | 0 | 0 | 111.3 | L191 L213 L214 V219 I220 L221 A232 W235 V236 | L191-V217 HydrophobicContact CD1-CG2 4.41Å; L191-V217 HydrophobicContact CD2-CG2 3.94Å; L213-V217 HydrophobicContact CG-CG2 4.29Å; L213-V217 PolarHBondContact O-N 2.68Å; L214-V217 PolarHBondContact O-N 3.04Å; V217-V219 PolarHBondContact O-N 3.03Å; V217-I220 PolarHBondContact O-N 3.36Å; V217-I220 VanDerWaalsContact O-N 3.15Å; V217-L221 PolarHBondContact O-N 3.11Å; V217-A232 HydrophobicContact CG1-CB 3.73Å; V217-W235 HydrophobicContact CB-CE3 4.22Å; V217-W235 HydrophobicContact CB-CZ3 4.13Å; V217-W235 HydrophobicContact CG1-CE3 3.89Å; V217-W235 HydrophobicContact CG1-CZ3 4.23Å; V217-W235 HydrophobicContact CG2-CD2 4.28Å; V217-W235 HydrophobicContact CG2-CE3 3.74Å; V217-W235 HydrophobicContact CG2-CH2 4.26Å; V217-W235 HydrophobicContact CG2-CZ3 3.72Å; V217-V236 HydrophobicContact CG1-CG2 3.8Å |
| 218 | K | 95.4 | Very high | 95.7 | Very high | 53 Ų | 53 | 53.4 Ų | 53.4 | 23% | 0.23 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.3 | -46.7 | 170.4 | -175.6 | 164.3 | -179.9 | 171.8 | 0 | 112.5 | L214 P215 Q216 I220 L221 S222 D273 L274 E277 | L214-K218 PolarHBondContact O-N 2.82Å; P215-K218 WeakPolarHBondContact O-CB 3.49Å; Q216-K218 VanDerWaalsContact C-N 3.26Å; Q216-K218 PolarHBondContact O-N 3.1Å; K218-I220 VanDerWaalsContact C-N 3.25Å; K218-I220 PolarHBondContact O-N 3.07Å; K218-L221 PolarHBondContact O-N 3.4Å; K218-S222 PolarHBondContact O-N 2.87Å; K218-S222 PolarHBondContact O-OG 3.16Å; K218-D273 PolarHBondContact NZ-O 3.32Å; K218-L274 HydrophobicContact CB-CD1 3.52Å; K218-L274 HydrophobicContact CD-CD1 4.16Å; K218-L274 HydrophobicContact CG-CD1 3.81Å; K218-E277 WeakPolarHBondContact CE-OE1 3.45Å; K218-E277 WeakPolarHBondContact CE-OE2 3.47Å; K218-E277 IonicContact NZ-OE1 3.92Å; K218-E277 PolarHBondContact NZ-OE1 3.41Å; K218-E277 IonicContact NZ-OE2 3.17Å; K218-E277 PolarHBondContact NZ-OE2 2.83Å |
| 219 | V | 94.8 | Very high | 95.7 | Very high | 99 Ų | 99 | 53.9 Ų | 53.9 | 60% | 0.6 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -62.1 | -34.4 | 176.3 | 177.6 | 0 | 0 | 0 | 0 | 111.6 | P215 Q216 V217 S222 | P215-V219 PolarHBondContact O-N 3.43Å; Q216-V219 WeakPolarHBondContact O-CB 3.36Å; Q216-V219 PolarHBondContact O-N 3.29Å; Q216-V219 VanDerWaalsContact O-N 3.15Å; V217-V219 PolarHBondContact O-N 3.03Å; V219-S222 PolarHBondContact O-N 2.89Å |
| 220 | I | 96.1 | Very high | 95.8 | Very high | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.015 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -70.2 | -36.1 | 176.3 | -65.5 | 174.8 | 0 | 0 | 0 | 112 | T184 L187 L188 L191 Q216 V217 K218 S222 S223 H228 A232 | T184-I220 HydrophobicContact CG2-CD1 4.18Å; T184-I220 HydrophobicContact CG2-CG1 3.82Å; L187-I220 HydrophobicContact CD2-CD1 3.53Å; L187-I220 HydrophobicContact CG-CD1 3.79Å; L188-I220 HydrophobicContact CD2-CD1 4.22Å; L188-I220 HydrophobicContact CD2-CG2 3.84Å; L188-I220 HydrophobicContact CG-CD1 4.21Å; L191-I220 HydrophobicContact CD1-CD1 3.68Å; Q216-I220 WeakPolarHBondContact O-CG1 3.16Å; Q216-I220 PolarHBondContact O-N 2.94Å; Q216-I220 VanDerWaalsContact O-N 3.11Å; V217-I220 PolarHBondContact O-N 3.36Å; V217-I220 VanDerWaalsContact O-N 3.15Å; K218-I220 VanDerWaalsContact C-N 3.25Å; K218-I220 PolarHBondContact O-N 3.07Å; I220-S222 PolarHBondContact O-N 3.41Å; I220-S223 WeakPolarHBondContact O-CB 3.45Å; I220-S223 PolarHBondContact O-N 3.48Å; I220-H228 HydrophobicContact CG2-CB 3.95Å; I220-H228 WeakPolarHBondContact CG2-O 3.42Å; I220-A232 HydrophobicContact CB-CB 4.16Å; I220-A232 HydrophobicContact CG2-CB 3.64Å |
| 221 | L | 95.4 | Very high | 95.8 | Very high | 15 Ų | 15 | 56.7 Ų | 56.7 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.9 | -23 | 174.1 | -69.1 | 176.8 | 0 | 0 | 0 | 113.3 | V217 K218 S223 I229 A232 L233 L274 L281 | V217-L221 PolarHBondContact O-N 3.11Å; K218-L221 PolarHBondContact O-N 3.4Å; L221-S223 VanDerWaalsContact C-N 3.25Å; L221-S223 PolarHBondContact O-N 3.18Å; L221-I229 HydrophobicContact CD2-CG2 4.03Å; L221-A232 HydrophobicContact CD2-CB 3.55Å; L221-A232 HydrophobicContact CG-CB 3.92Å; L221-L233 HydrophobicContact CD2-CD2 3.61Å; L221-L233 HydrophobicContact CD2-CG 3.66Å; L221-L274 HydrophobicContact CD1-CD1 3.91Å; L221-L274 HydrophobicContact CD1-CD2 3.93Å; L221-L274 HydrophobicContact CD1-CG 4.03Å; L221-L281 HydrophobicContact CB-CD1 4.49Å; L221-L281 HydrophobicContact CD2-CD1 4.12Å |
| 222 | S | 93.4 | Very high | 95.9 | Very high | 89 Ų | 89 | 56.1 Ų | 56.1 | 62% | 0.622 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | 9.3 | 170.7 | -49.6 | 0 | 0 | 0 | 0 | 113.9 | K218 V219 I220 | K218-S222 PolarHBondContact O-N 2.87Å; K218-S222 PolarHBondContact O-OG 3.16Å; V219-S222 PolarHBondContact O-N 2.89Å; I220-S222 PolarHBondContact O-N 3.41Å |
| 223 | S | 94.8 | Very high | 95.9 | Very high | 24 Ų | 24 | 51.5 Ų | 51.5 | 17% | 0.168 | 26% | 0.262 | C | S | . | . | trans | -67.4 | 146.2 | 179.4 | 179.1 | 0 | 0 | 0 | 0 | 112.6 | I220 L221 Y225 H228 | I220-S223 WeakPolarHBondContact O-CB 3.45Å; I220-S223 PolarHBondContact O-N 3.48Å; L221-S223 VanDerWaalsContact C-N 3.25Å; L221-S223 PolarHBondContact O-N 3.18Å; S223-Y225 PolarHBondContact O-N 3.41Å; S223-Y225 PolarHBondContact OG-N 2.85Å; S223-Y225 VanDerWaalsContact OG-N 3.08Å; S223-H228 WeakPolarHBondContact OG-CB 3.38Å; S223-H228 PolarHBondContact OG-ND1 3Å | ||
| 224 | K | 94.3 | Very high | 96 | Very high | 178 Ų | 178 | 55.4 Ų | 55.4 | 77% | 0.774 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -76.9 | -2.3 | 169.4 | 70.4 | 177.4 | -174.9 | 179.3 | 0 | 114.4 | ||
| 225 | Y | 95.3 | Very high | 96 | Very high | 122 Ų | 122 | 55.3 Ų | 55.3 | 48% | 0.478 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -110.1 | 120.9 | -175.7 | -59.9 | -83.1 | 0 | 0 | 0 | 109.9 | S223 E227 H228 I229 | S223-Y225 PolarHBondContact O-N 3.41Å; S223-Y225 PolarHBondContact OG-N 2.85Å; S223-Y225 VanDerWaalsContact OG-N 3.08Å; Y225-E227 PolarHBondContact O-N 3.25Å; Y225-H228 AromaticContact CD2-CE1 3.47Å; Y225-H228 VanDerWaalsContact CD2-CE1 3.47Å; Y225-H228 WeakPolarHBondContact CD2-CE1 3.34Å; Y225-H228 AromaticContact CD2-ND1 3.69Å; Y225-H228 AromaticContact CG-CE1 3.92Å; Y225-H228 WeakPolarHBondContact O-CB 3.49Å; Y225-H228 PolarHBondContact O-N 2.85Å; Y225-H228 VanDerWaalsContact O-N 3.11Å; Y225-I229 PolarHBondContact O-N 3.41Å |
| 226 | E | 94.9 | Very high | 96.2 | Very high | 122 Ų | 122 | 52.4 Ų | 52.4 | 57% | 0.57 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -57 | -46.6 | -175.8 | -168.6 | 174.9 | 160.3 | 0 | 0 | 112.6 | H228 I229 T230 V288 | E226-H228 PolarHBondContact O-N 3.02Å; E226-H228 VanDerWaalsContact O-N 3.15Å; E226-I229 WeakPolarHBondContact O-CA 3.25Å; E226-I229 WeakPolarHBondContact O-CB 3.42Å; E226-I229 PolarHBondContact O-N 2.96Å; E226-T230 PolarHBondContact O-N 2.97Å; E226-T230 PolarHBondContact O-OG1 2.94Å; E226-V288 HydrophobicContact CG-CG2 3.82Å |
| 227 | E | 95.8 | Very high | 96.2 | Very high | 140 Ų | 140 | 52.5 Ų | 52.5 | 65% | 0.654 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -54.9 | -35.4 | 177.7 | -60.1 | -63.8 | 174.5 | 0 | 0 | 113.3 | Y225 V231 | Y225-E227 PolarHBondContact O-N 3.25Å; E227-V231 WeakPolarHBondContact O-CB 3.36Å; E227-V231 WeakPolarHBondContact O-CG2 3.31Å; E227-V231 PolarHBondContact O-N 3.06Å |
| 228 | H | 97.1 | Very high | 96.2 | Very high | 52 Ų | 52 | 52.6 Ų | 52.6 | 24% | 0.241 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.9 | -43.7 | 177.5 | -64.2 | -169.5 | 0 | 0 | 0 | 110.6 | L188 I220 S223 Y225 E226 A232 | L188-H228 HydrophobicContact CD1-CB 4.31Å; L188-H228 HydrophobicContact CD2-CB 4.09Å; I220-H228 HydrophobicContact CG2-CB 3.95Å; I220-H228 WeakPolarHBondContact CG2-O 3.42Å; S223-H228 WeakPolarHBondContact OG-CB 3.38Å; S223-H228 PolarHBondContact OG-ND1 3Å; Y225-H228 AromaticContact CD2-CE1 3.47Å; Y225-H228 VanDerWaalsContact CD2-CE1 3.47Å; Y225-H228 WeakPolarHBondContact CD2-CE1 3.34Å; Y225-H228 AromaticContact CD2-ND1 3.69Å; Y225-H228 AromaticContact CG-CE1 3.92Å; Y225-H228 WeakPolarHBondContact O-CB 3.49Å; Y225-H228 PolarHBondContact O-N 2.85Å; Y225-H228 VanDerWaalsContact O-N 3.11Å; E226-H228 PolarHBondContact O-N 3.02Å; E226-H228 VanDerWaalsContact O-N 3.15Å; H228-A232 WeakPolarHBondContact O-CB 3.27Å; H228-A232 PolarHBondContact O-N 3.26Å |
| 229 | I | 96.3 | Very high | 96.3 | Very high | 21 Ų | 21 | 50.2 Ų | 50.2 | 11% | 0.108 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.7 | -47.3 | 176.5 | -55.1 | 173.2 | 0 | 0 | 0 | 109.3 | L221 Y225 E226 V231 A232 L233 L281 V288 | L221-I229 HydrophobicContact CD2-CG2 4.03Å; Y225-I229 PolarHBondContact O-N 3.41Å; E226-I229 WeakPolarHBondContact O-CA 3.25Å; E226-I229 WeakPolarHBondContact O-CB 3.42Å; E226-I229 PolarHBondContact O-N 2.96Å; I229-V231 PolarHBondContact O-N 2.8Å; I229-A232 PolarHBondContact O-N 3.27Å; I229-L233 HydrophobicContact CG2-CD1 3.81Å; I229-L233 HydrophobicContact CG2-CG 4.04Å; I229-L233 WeakPolarHBondContact O-CB 3.4Å; I229-L233 VanDerWaalsContact O-CG 3.32Å; I229-L233 WeakPolarHBondContact O-CG 3.47Å; I229-L233 PolarHBondContact O-N 3.25Å; I229-L281 HydrophobicContact CD1-CD2 4.32Å; I229-L281 HydrophobicContact CG2-CD1 3.88Å; I229-L281 HydrophobicContact CG2-CD2 4.1Å; I229-V288 HydrophobicContact CG2-CG1 3.93Å |
| 230 | T | 96.6 | Very high | 96.3 | Very high | 28 Ų | 28 | 45.6 Ų | 45.6 | 17% | 0.172 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.7 | -48.9 | 178.4 | -60.5 | 0 | 0 | 0 | 0 | 112.3 | E226 A232 L233 H234 V288 | E226-T230 PolarHBondContact O-N 2.97Å; E226-T230 PolarHBondContact O-OG1 2.94Å; T230-A232 PolarHBondContact O-N 3.42Å; T230-L233 PolarHBondContact O-N 3.18Å; T230-H234 PolarHBondContact O-CD2 3.13Å; T230-H234 VanDerWaalsContact O-CD2 3.25Å; T230-H234 PolarHBondContact O-N 3.29Å; T230-V288 WeakPolarHBondContact OG1-CG2 3.45Å |
| 231 | V | 97.9 | Very high | 96.3 | Very high | 37 Ų | 37 | 52.9 Ų | 52.9 | 22% | 0.224 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 177 | 168.3 | 0 | 0 | 0 | 0 | 111.7 | L188 L191 P192 E227 I229 W235 | L188-V231 HydrophobicContact CD2-CB 4.24Å; L188-V231 HydrophobicContact CD2-CG1 4.09Å; L191-V231 HydrophobicContact CB-CG1 3.63Å; L191-V231 HydrophobicContact CD1-CG1 4.16Å; P192-V231 HydrophobicContact CG-CG1 4.1Å; E227-V231 WeakPolarHBondContact O-CB 3.36Å; E227-V231 WeakPolarHBondContact O-CG2 3.31Å; E227-V231 PolarHBondContact O-N 3.06Å; I229-V231 PolarHBondContact O-N 2.8Å; V231-W235 PolarHBondContact O-N 3.28Å |
| 232 | A | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.3 | -44.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V217 I220 L221 H228 I229 T230 W235 V236 | V217-A232 HydrophobicContact CG1-CB 3.73Å; I220-A232 HydrophobicContact CB-CB 4.16Å; I220-A232 HydrophobicContact CG2-CB 3.64Å; L221-A232 HydrophobicContact CD2-CB 3.55Å; L221-A232 HydrophobicContact CG-CB 3.92Å; H228-A232 WeakPolarHBondContact O-CB 3.27Å; H228-A232 PolarHBondContact O-N 3.26Å; I229-A232 PolarHBondContact O-N 3.27Å; T230-A232 PolarHBondContact O-N 3.42Å; A232-W235 PolarHBondContact O-N 2.94Å; A232-V236 WeakPolarHBondContact O-CG2 3.45Å; A232-V236 PolarHBondContact O-N 3.03Å |
| 233 | L | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.5 | -42.7 | 177.4 | -72.2 | 177 | 0 | 0 | 0 | 111.7 | L221 I229 T230 W235 V236 Q237 W275 L281 V288 L291 I295 | L221-L233 HydrophobicContact CD2-CD2 3.61Å; L221-L233 HydrophobicContact CD2-CG 3.66Å; I229-L233 HydrophobicContact CG2-CD1 3.81Å; I229-L233 HydrophobicContact CG2-CG 4.04Å; I229-L233 WeakPolarHBondContact O-CB 3.4Å; I229-L233 VanDerWaalsContact O-CG 3.32Å; I229-L233 WeakPolarHBondContact O-CG 3.47Å; I229-L233 PolarHBondContact O-N 3.25Å; T230-L233 PolarHBondContact O-N 3.18Å; L233-W235 VanDerWaalsContact C-N 3.32Å; L233-W235 PolarHBondContact O-N 2.96Å; L233-V236 PolarHBondContact O-N 3.45Å; L233-Q237 WeakPolarHBondContact O-CB 3.42Å; L233-Q237 PolarHBondContact O-N 3.1Å; L233-W275 HydrophobicContact CD2-CH2 3.77Å; L233-W275 HydrophobicContact CD2-CZ3 4.29Å; L233-L281 HydrophobicContact CD2-CD1 4.07Å; L233-V288 HydrophobicContact CD1-CG1 3.76Å; L233-L291 HydrophobicContact CB-CD2 3.48Å; L233-L291 VanDerWaalsContact CB-CD2 3.48Å; L233-L291 HydrophobicContact CB-CG 3.9Å; L233-L291 HydrophobicContact CD1-CD2 4.19Å; L233-L291 HydrophobicContact CD1-CG 4.32Å; L233-L291 HydrophobicContact CG-CD2 4.5Å; L233-I295 HydrophobicContact CB-CD1 4.18Å; L233-I295 HydrophobicContact CD2-CD1 3.77Å |
| 234 | H | 98 | Very high | 96.2 | Very high | 83 Ų | 83 | 54.6 Ų | 54.6 | 38% | 0.384 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.7 | -35.6 | 175.9 | -80.8 | -56.6 | 0 | 0 | 0 | 113 | T230 S238 | T230-H234 PolarHBondContact O-CD2 3.13Å; T230-H234 VanDerWaalsContact O-CD2 3.25Å; T230-H234 PolarHBondContact O-N 3.29Å; H234-S238 WeakPolarHBondContact O-CB 3.42Å; H234-S238 PolarHBondContact O-N 2.93Å; H234-S238 PolarHBondContact O-OG 3.27Å |
| 235 | W | 98.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.6 | -48.6 | 172.3 | -175.7 | 87 | 0 | 0 | 0 | 111.5 | L191 T195 C210 L213 L214 V217 V231 A232 L233 Q237 S238 V239 | L191-W235 HydrophobicContact CD2-CB 3.99Å; L191-W235 HydrophobicContact CD2-CD2 3.9Å; L191-W235 HydrophobicContact CD2-CG 3.55Å; T195-W235 WeakPolarHBondContact OG1-CA 3.42Å; T195-W235 WeakPolarHBondContact OG1-CB 3.42Å; C210-W235 HydrophobicContact CB-CH2 4.23Å; C210-W235 HydrophobicContact CB-CZ2 4.22Å; L213-W235 HydrophobicContact CB-CH2 4.22Å; L213-W235 HydrophobicContact CB-CZ2 4.24Å; L213-W235 HydrophobicContact CD2-CH2 4.45Å; L213-W235 HydrophobicContact CD2-CZ2 3.83Å; L213-W235 HydrophobicContact CG-CZ2 4.41Å; L214-W235 HydrophobicContact CB-CH2 4.5Å; L214-W235 HydrophobicContact CD1-CZ3 4.04Å; V217-W235 HydrophobicContact CB-CE3 4.22Å; V217-W235 HydrophobicContact CB-CZ3 4.13Å; V217-W235 HydrophobicContact CG1-CE3 3.89Å; V217-W235 HydrophobicContact CG1-CZ3 4.23Å; V217-W235 HydrophobicContact CG2-CD2 4.28Å; V217-W235 HydrophobicContact CG2-CE3 3.74Å; V217-W235 HydrophobicContact CG2-CH2 4.26Å; V217-W235 HydrophobicContact CG2-CZ3 3.72Å; V231-W235 PolarHBondContact O-N 3.28Å; A232-W235 PolarHBondContact O-N 2.94Å; L233-W235 VanDerWaalsContact C-N 3.32Å; L233-W235 PolarHBondContact O-N 2.96Å; W235-Q237 PolarHBondContact O-N 3.46Å; W235-S238 PolarHBondContact O-N 3.4Å; W235-V239 HydrophobicContact CD2-CG2 3.84Å; W235-V239 HydrophobicContact CE3-CG2 3.88Å; W235-V239 HydrophobicContact CH2-CG2 3.72Å; W235-V239 HydrophobicContact CZ2-CG2 3.61Å; W235-V239 HydrophobicContact CZ3-CG2 3.84Å; W235-V239 WeakPolarHBondContact O-CG2 3.25Å; W235-V239 PolarHBondContact O-N 3.24Å |
| 236 | V | 97.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.6 | -45.3 | 177.4 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | L214 V217 A232 L233 S238 V239 I240 L271 L274 I295 | L214-V236 HydrophobicContact CD1-CG2 4.47Å; V217-V236 HydrophobicContact CG1-CG2 3.8Å; A232-V236 WeakPolarHBondContact O-CG2 3.45Å; A232-V236 PolarHBondContact O-N 3.03Å; L233-V236 PolarHBondContact O-N 3.45Å; V236-S238 VanDerWaalsContact C-N 3.27Å; V236-S238 PolarHBondContact O-N 3.25Å; V236-V239 PolarHBondContact O-N 3.16Å; V236-I240 HydrophobicContact CG1-CD1 3.73Å; V236-I240 HydrophobicContact CG1-CG1 4.47Å; V236-I240 VanDerWaalsContact O-CG1 3.3Å; V236-I240 WeakPolarHBondContact O-CG1 3.37Å; V236-I240 PolarHBondContact O-N 3.32Å; V236-L271 HydrophobicContact CG1-CD2 4.35Å; V236-L274 HydrophobicContact CG1-CD2 3.93Å; V236-L274 HydrophobicContact CG2-CD2 3.9Å; V236-I295 HydrophobicContact CB-CD1 4.46Å; V236-I295 HydrophobicContact CG1-CD1 4.26Å; V236-I295 HydrophobicContact CG1-CG2 4.12Å |
| 237 | Q | 96.9 | Very high | 95.7 | Very high | 34 Ų | 34 | 40.6 Ų | 40.6 | 16% | 0.159 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.3 | -39.1 | 174.9 | -167.3 | -167.9 | 42.6 | 0 | 0 | 111.5 | L233 W235 R241 L291 I295 | L233-Q237 WeakPolarHBondContact O-CB 3.42Å; L233-Q237 PolarHBondContact O-N 3.1Å; W235-Q237 PolarHBondContact O-N 3.46Å; Q237-R241 VanDerWaalsContact O-CB 3.31Å; Q237-R241 WeakPolarHBondContact O-CB 3Å; Q237-R241 VanDerWaalsContact O-CG 3.25Å; Q237-R241 WeakPolarHBondContact O-CG 3.37Å; Q237-R241 PolarHBondContact O-N 3.35Å; Q237-L291 HydrophobicContact CB-CD1 4.23Å; Q237-L291 VanDerWaalsContact CD-CD1 3.41Å; Q237-L291 HydrophobicContact CG-CD1 4.2Å; Q237-I295 HydrophobicContact CB-CD1 4.15Å; Q237-I295 HydrophobicContact CB-CG1 4.05Å; Q237-I295 HydrophobicContact CG-CG1 4.34Å |
| 238 | S | 97.1 | Very high | 95.5 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -73.3 | -36.3 | 179.9 | -58.4 | 0 | 0 | 0 | 0 | 112.6 | T195 Q199 H234 W235 V236 K242 | T195-S238 WeakPolarHBondContact CG2-OG 3.41Å; Q199-S238 PolarHBondContact NE2-OG 3.14Å; H234-S238 WeakPolarHBondContact O-CB 3.42Å; H234-S238 PolarHBondContact O-N 2.93Å; H234-S238 PolarHBondContact O-OG 3.27Å; W235-S238 PolarHBondContact O-N 3.4Å; V236-S238 VanDerWaalsContact C-N 3.27Å; V236-S238 PolarHBondContact O-N 3.25Å; S238-K242 WeakPolarHBondContact O-CB 2.96Å; S238-K242 PolarHBondContact O-N 3.01Å |
| 239 | V | 96.9 | Very high | 95 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.6 | -51.6 | 169.7 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | L198 C210 W235 V236 R241 K242 W243 M267 | L198-V239 HydrophobicContact CD1-CB 4.49Å; L198-V239 HydrophobicContact CD1-CG2 3.5Å; L198-V239 VanDerWaalsContact CD1-CG2 3.5Å; C210-V239 HydrophobicContact CB-CG1 4.18Å; C210-V239 HydrophobicContact CB-CG2 4.24Å; W235-V239 HydrophobicContact CD2-CG2 3.84Å; W235-V239 HydrophobicContact CE3-CG2 3.88Å; W235-V239 HydrophobicContact CH2-CG2 3.72Å; W235-V239 HydrophobicContact CZ2-CG2 3.61Å; W235-V239 HydrophobicContact CZ3-CG2 3.84Å; W235-V239 WeakPolarHBondContact O-CG2 3.25Å; W235-V239 PolarHBondContact O-N 3.24Å; V236-V239 PolarHBondContact O-N 3.16Å; V239-R241 PolarHBondContact O-N 3.32Å; V239-K242 PolarHBondContact O-N 3.01Å; V239-W243 VanDerWaalsContact O-CD1 3.27Å; V239-W243 PolarHBondContact O-N 3.48Å; V239-W243 VanDerWaalsContact O-N 3.08Å; V239-M267 HydrophobicContact CG1-CE 3.72Å; V239-M267 HydrophobicContact CG1-SD 4.12Å |
| 240 | I | 95.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.2 | -47.3 | 179.5 | -68.4 | 166.1 | 0 | 0 | 0 | 110.4 | V236 W244 L271 I295 H298 L299 | V236-I240 HydrophobicContact CG1-CD1 3.73Å; V236-I240 HydrophobicContact CG1-CG1 4.47Å; V236-I240 VanDerWaalsContact O-CG1 3.3Å; V236-I240 WeakPolarHBondContact O-CG1 3.37Å; V236-I240 PolarHBondContact O-N 3.32Å; I240-W244 HydrophobicContact CG2-CE3 3.93Å; I240-W244 HydrophobicContact CG2-CZ3 4.32Å; I240-W244 WeakPolarHBondContact O-CA 3.5Å; I240-W244 VanDerWaalsContact O-CB 3.31Å; I240-W244 WeakPolarHBondContact O-CB 3.49Å; I240-W244 PolarHBondContact O-N 2.99Å; I240-L271 HydrophobicContact CD1-CD2 4.29Å; I240-L271 HydrophobicContact CG1-CD1 4.02Å; I240-L271 HydrophobicContact CG1-CD2 4.13Å; I240-I295 HydrophobicContact CD1-CG2 3.6Å; I240-H298 HydrophobicContact CG2-CB 3.84Å; I240-L299 HydrophobicContact CD1-CD1 4.37Å; I240-L299 HydrophobicContact CD1-CD2 3.67Å; I240-L299 HydrophobicContact CD1-CG 4.04Å; I240-L299 HydrophobicContact CG1-CD2 4.23Å |
| 241 | R | 94.9 | Very high | 92.2 | Very high | 157 Ų | 157 | 46.1 Ų | 46.1 | 59% | 0.592 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -65.2 | -39.7 | -179.9 | -75.6 | 178.3 | 67.8 | -160.5 | -1.6 | 113.2 | Q237 V239 | Q237-R241 VanDerWaalsContact O-CB 3.31Å; Q237-R241 WeakPolarHBondContact O-CB 3Å; Q237-R241 VanDerWaalsContact O-CG 3.25Å; Q237-R241 WeakPolarHBondContact O-CG 3.37Å; Q237-R241 PolarHBondContact O-N 3.35Å; V239-R241 PolarHBondContact O-N 3.32Å |
| 242 | K | 94.7 | Very high | 90.3 | Very high | 59 Ų | 59 | 53.5 Ų | 53.5 | 26% | 0.257 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -70.1 | -41.7 | -179.5 | -176.8 | 61.9 | -175.5 | -155.8 | 0 | 112.1 | L198 T200 E201 S238 V239 | L198-K242 HydrophobicContact CD2-CB 4.43Å; L198-K242 HydrophobicContact CD2-CG 4.47Å; L198-K242 WeakPolarHBondContact O-CD 3.3Å; T200-K242 PolarHBondContact O-NZ 3.31Å; E201-K242 PolarHBondContact O-NZ 2.83Å; S238-K242 WeakPolarHBondContact O-CB 2.96Å; S238-K242 PolarHBondContact O-N 3.01Å; V239-K242 PolarHBondContact O-N 3.01Å |
| 243 | W | 93.8 | Very high | 88.2 | Confident | 44 Ų | 44 | 63.1 Ų | 63.1 | 17% | 0.167 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -99.2 | 9.7 | -174.7 | -57.6 | 106.1 | 0 | 0 | 0 | 113.5 | L207 V239 P245 E246 L247 | L207-W243 HydrophobicContact CB-CD2 4.1Å; L207-W243 HydrophobicContact CB-CE3 4.22Å; L207-W243 HydrophobicContact CB-CH2 4.04Å; L207-W243 HydrophobicContact CB-CZ2 3.91Å; L207-W243 HydrophobicContact CB-CZ3 4.18Å; L207-W243 HydrophobicContact CD1-CB 4.28Å; L207-W243 HydrophobicContact CD1-CD2 3.95Å; L207-W243 HydrophobicContact CD1-CG 3.79Å; L207-W243 HydrophobicContact CD2-CE3 4.45Å; L207-W243 HydrophobicContact CG-CD2 4.45Å; V239-W243 VanDerWaalsContact O-CD1 3.27Å; V239-W243 PolarHBondContact O-N 3.48Å; V239-W243 VanDerWaalsContact O-N 3.08Å; W243-P245 VanDerWaalsContact C-CD 3.41Å; W243-E246 HydrophobicContact CE3-CG 4.3Å; W243-E246 PolarHBondContact O-N 2.96Å; W243-E246 VanDerWaalsContact O-N 3.08Å; W243-L247 HydrophobicContact CB-CD1 3.97Å; W243-L247 HydrophobicContact CB-CG 4.25Å; W243-L247 WeakPolarHBondContact O-CB 3.42Å; W243-L247 VanDerWaalsContact O-CG 3.24Å; W243-L247 WeakPolarHBondContact O-CG 3.32Å; W243-L247 PolarHBondContact O-N 3.22Å |
| 244 | W | 93.9 | Very high | 86.2 | Confident | 61 Ų | 61 | 70.4 Ų | 70.4 | 23% | 0.231 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -55.6 | -40.3 | 177.2 | -167.1 | -110.4 | 0 | 0 | 0 | 113.8 | I240 E246 L247 S248 H298 Q301 L302 | I240-W244 HydrophobicContact CG2-CE3 3.93Å; I240-W244 HydrophobicContact CG2-CZ3 4.32Å; I240-W244 WeakPolarHBondContact O-CA 3.5Å; I240-W244 VanDerWaalsContact O-CB 3.31Å; I240-W244 WeakPolarHBondContact O-CB 3.49Å; I240-W244 PolarHBondContact O-N 2.99Å; W244-E246 PolarHBondContact O-N 2.95Å; W244-L247 PolarHBondContact O-N 3.06Å; W244-S248 VanDerWaalsContact O-CB 3.27Å; W244-S248 WeakPolarHBondContact O-CB 3.38Å; W244-S248 PolarHBondContact O-N 3.46Å; W244-S248 PolarHBondContact O-OG 3.31Å; W244-H298 HydrophobicContact CH2-CB 4.41Å; W244-H298 WeakPolarHBondContact CH2-O 3.38Å; W244-H298 HydrophobicContact CZ3-CB 4.1Å; W244-Q301 HydrophobicContact CH2-CB 3.83Å; W244-Q301 HydrophobicContact CZ2-CB 4.01Å; W244-L302 HydrophobicContact CE3-CD2 4.4Å; W244-L302 HydrophobicContact CH2-CD2 4.05Å; W244-L302 HydrophobicContact CH2-CG 4.43Å; W244-L302 HydrophobicContact CZ3-CD2 3.56Å; W244-L302 HydrophobicContact CZ3-CG 4.11Å |
| 245 | P | 91.4 | Very high | 84.1 | Confident | 73 Ų | 73 | 75.7 Ų | 75.7 | 47% | 0.474 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.7 | -20.5 | 177.4 | -21.4 | 34.7 | 0 | 0 | 0 | 113.7 | W243 K249 | W243-P245 VanDerWaalsContact C-CD 3.41Å; P245-K249 VanDerWaalsContact O-CD 3.32Å; P245-K249 WeakPolarHBondContact O-CD 3.46Å; P245-K249 WeakPolarHBondContact O-CE 3.23Å; P245-K249 WeakPolarHBondContact O-CG 3.43Å; P245-K249 PolarHBondContact O-NZ 3.44Å |
| 246 | E | 91.3 | Very high | 82 | Confident | 55 Ų | 55 | 83 Ų | 83 | 26% | 0.257 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -91.6 | -48.1 | 175.4 | -67.5 | 56.9 | -117.7 | 0 | 0 | 110.5 | W243 W244 S248 K249 V264 | W243-E246 HydrophobicContact CE3-CG 4.3Å; W243-E246 PolarHBondContact O-N 2.96Å; W243-E246 VanDerWaalsContact O-N 3.08Å; W244-E246 PolarHBondContact O-N 2.95Å; E246-S248 PolarHBondContact O-N 2.81Å; E246-K249 WeakPolarHBondContact O-CB 3.19Å; E246-K249 PolarHBondContact O-N 2.95Å; E246-K249 IonicContact OE1-NZ 2.75Å; E246-K249 PolarHBondContact OE1-NZ 3.42Å; E246-V264 HydrophobicContact CB-CG2 3.9Å |
| 247 | L | 91.6 | Very high | 80.2 | Confident | 0 Ų | 0 | 86.6 Ų | 86.6 | 0% | 0 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -67.2 | -33.2 | -176.2 | -67.1 | 169.2 | 0 | 0 | 0 | 113.3 | W243 W244 K249 V264 M267 K268 L271 L302 | W243-L247 HydrophobicContact CB-CD1 3.97Å; W243-L247 HydrophobicContact CB-CG 4.25Å; W243-L247 WeakPolarHBondContact O-CB 3.42Å; W243-L247 VanDerWaalsContact O-CG 3.24Å; W243-L247 WeakPolarHBondContact O-CG 3.32Å; W243-L247 PolarHBondContact O-N 3.22Å; W244-L247 PolarHBondContact O-N 3.06Å; L247-K249 VanDerWaalsContact C-N 3.31Å; L247-K249 PolarHBondContact O-N 3.48Å; L247-V264 HydrophobicContact CD2-CG1 4.32Å; L247-M267 HydrophobicContact CD1-CG 4.38Å; L247-M267 HydrophobicContact CD2-CB 4.02Å; L247-M267 HydrophobicContact CD2-CG 3.76Å; L247-K268 HydrophobicContact CD2-CG 3.71Å; L247-K268 VanDerWaalsContact O-CE 3.23Å; L247-K268 WeakPolarHBondContact O-CE 3.39Å; L247-L271 HydrophobicContact CD1-CD1 4Å; L247-L302 HydrophobicContact CB-CD2 3.75Å |
| 248 | S | 90.5 | Very high | 78.6 | Confident | 52 Ų | 52 | 88 Ų | 88 | 36% | 0.364 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -8.5 | 178.2 | 60.7 | 0 | 0 | 0 | 0 | 114.3 | W244 E246 A250 | W244-S248 VanDerWaalsContact O-CB 3.27Å; W244-S248 WeakPolarHBondContact O-CB 3.38Å; W244-S248 PolarHBondContact O-N 3.46Å; W244-S248 PolarHBondContact O-OG 3.31Å; E246-S248 PolarHBondContact O-N 2.81Å; S248-A250 PolarHBondContact O-N 3.26Å |
| 249 | K | 86.8 | Confident | 77.1 | Confident | 117 Ų | 117 | 91.8 Ų | 91.8 | 51% | 0.509 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -69.3 | 117.3 | 175.2 | -70.1 | 165.4 | -177.7 | 129.7 | 0 | 109.8 | P245 E246 L247 K268 | P245-K249 VanDerWaalsContact O-CD 3.32Å; P245-K249 WeakPolarHBondContact O-CD 3.46Å; P245-K249 WeakPolarHBondContact O-CE 3.23Å; P245-K249 WeakPolarHBondContact O-CG 3.43Å; P245-K249 PolarHBondContact O-NZ 3.44Å; E246-K249 WeakPolarHBondContact O-CB 3.19Å; E246-K249 PolarHBondContact O-N 2.95Å; E246-K249 IonicContact OE1-NZ 2.75Å; E246-K249 PolarHBondContact OE1-NZ 3.42Å; L247-K249 VanDerWaalsContact C-N 3.31Å; L247-K249 PolarHBondContact O-N 3.48Å; K249-K268 PolarHBondContact O-NZ 3.21Å |
| 250 | A | 66.8 | Low | 75.9 | Confident | 72 Ų | 72 | 98.1 Ų | 98.1 | 60% | 0.595 | 49% | 0.49 | S | S | * | . | trans | -59.6 | 145.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | S248 K252 | S248-A250 PolarHBondContact O-N 3.26Å; A250-K252 PolarHBondContact O-N 2.73Å | ||
| 251 | E | 66.2 | Low | 75.1 | Confident | 115 Ų | 115 | 102.7 Ų | 102.7 | 54% | 0.537 | 52% | 0.515 | S | S | . | . | trans | -62.3 | 94.2 | -172.2 | -168.6 | -163.2 | 179.9 | 0 | 0 | 112.6 | R253 | E251-R253 HydrophobicContact CG-CG 3.88Å; E251-R253 PolarHBondContact O-N 3Å; E251-R253 WeakPolarHBondContact OE1-CG 3.29Å; E251-R253 IonicContact OE1-CZ 2.67Å; E251-R253 IonicContact OE1-NE 2.73Å; E251-R253 PolarHBondContact OE1-NE 2.91Å; E251-R253 IonicContact OE1-NH2 3.63Å; E251-R253 PolarHBondContact OE1-NH2 3.01Å; E251-R253 IonicContact OE2-CZ 3.52Å; E251-R253 VanDerWaalsContact OE2-CZ 3.28Å; E251-R253 IonicContact OE2-NE 2.78Å; E251-R253 PolarHBondContact OE2-NE 3.19Å; E251-R253 IonicContact OE2-NH2 3.43Å; E251-R253 PolarHBondContact OE2-NH2 2.94Å | ||
| 252 | K | 59.4 | Low | 74.7 | Confident | 193 Ų | 193 | 103.1 Ų | 103.1 | 84% | 0.839 | 52% | 0.516 | S | S | * | . | trans | -81.3 | 93 | 167.1 | -74 | -171.6 | 177.5 | -178.2 | 0 | 109.1 | A250 L254 | A250-K252 PolarHBondContact O-N 2.73Å; K252-L254 PolarHBondContact O-N 3.36Å | ||
| 253 | R | 53.7 | Low | 74.6 | Confident | 201 Ų | 201 | 102.9 Ų | 102.9 | 76% | 0.758 | 52% | 0.518 | S | S | * | . | trans | -64.4 | 76.4 | 177.8 | -66.8 | -173.3 | 178 | 172.9 | 8.2 | 113 | E251 | E251-R253 HydrophobicContact CG-CG 3.88Å; E251-R253 PolarHBondContact O-N 3Å; E251-R253 WeakPolarHBondContact OE1-CG 3.29Å; E251-R253 IonicContact OE1-CZ 2.67Å; E251-R253 IonicContact OE1-NE 2.73Å; E251-R253 PolarHBondContact OE1-NE 2.91Å; E251-R253 IonicContact OE1-NH2 3.63Å; E251-R253 PolarHBondContact OE1-NH2 3.01Å; E251-R253 IonicContact OE2-CZ 3.52Å; E251-R253 VanDerWaalsContact OE2-CZ 3.28Å; E251-R253 IonicContact OE2-NE 2.78Å; E251-R253 PolarHBondContact OE2-NE 3.19Å; E251-R253 IonicContact OE2-NH2 3.43Å; E251-R253 PolarHBondContact OE2-NH2 2.94Å | ||
| 254 | L | 53.7 | Low | 74.6 | Confident | 153 Ų | 153 | 101.3 Ų | 101.3 | 80% | 0.801 | 51% | 0.514 | S | S | * | . | trans | -101.7 | 119.8 | 159.6 | -85.3 | 159.7 | 0 | 0 | 0 | 107.6 | K252 D256 | K252-L254 PolarHBondContact O-N 3.36Å; L254-D256 PolarHBondContact O-N 2.95Å | ||
| 255 | Q | 55.4 | Low | 74.5 | Confident | 195 Ų | 195 | 102 Ų | 102 | 91% | 0.911 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -85.5 | 46.9 | -161 | -163 | 175.6 | -22.7 | 0 | 0 | 112.8 | ||
| 256 | D | 54.4 | Low | 74.6 | Confident | 153 Ų | 153 | 101.4 Ų | 101.4 | 82% | 0.818 | 52% | 0.517 | S | S | * | . | trans | -127.2 | 71.8 | -175.5 | -143.1 | -7.2 | 0 | 0 | 0 | 109.1 | L254 C258 | L254-D256 PolarHBondContact O-N 2.95Å; D256-C258 PolarHBondContact O-N 2.95Å | ||
| 257 | S | 58.6 | Low | 74.8 | Confident | 78 Ų | 78 | 98.8 Ų | 98.8 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | trans | -73 | 97.8 | -159.2 | -54.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 258 | C | 63 | Low | 75 | Confident | 62 Ų | 62 | 99.8 Ų | 99.8 | 42% | 0.419 | 51% | 0.509 | S | S | . | . | trans | -57.8 | 151.4 | 160.4 | -171.2 | 0 | 0 | 0 | 0 | 111 | D256 E260 | D256-C258 PolarHBondContact O-N 2.95Å; C258-E260 PolarHBondContact O-N 3.34Å | ||
| 259 | S | 65.4 | Low | 75.1 | Confident | 83 Ų | 83 | 101.9 Ų | 101.9 | 58% | 0.58 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.9 | -24.3 | 174 | 50 | 0 | 0 | 0 | 0 | 112.8 | N263 | S259-N263 PolarHBondContact O-N 2.72Å; S259-N263 PolarHBondContact O-ND2 3.48Å |
| 260 | E | 71.7 | Confident | 75.5 | Confident | 135 Ų | 135 | 102 Ų | 102 | 63% | 0.631 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -72.1 | -42.5 | 179.9 | -61.8 | -168.8 | 135.4 | 0 | 0 | 112.5 | C258 R262 N263 V264 | C258-E260 PolarHBondContact O-N 3.34Å; E260-R262 VanDerWaalsContact C-N 3.28Å; E260-R262 PolarHBondContact O-N 3.45Å; E260-N263 CarbonylContact O-C 3.57Å; E260-N263 WeakPolarHBondContact O-CA 3.37Å; E260-N263 WeakPolarHBondContact O-CB 3.34Å; E260-N263 PolarHBondContact O-N 3.1Å; E260-V264 WeakPolarHBondContact O-CG2 3.41Å; E260-V264 PolarHBondContact O-N 3.08Å |
| 261 | D | 79.4 | Confident | 76.9 | Confident | 99 Ų | 99 | 98.6 Ų | 98.6 | 53% | 0.529 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.4 | -40 | 175 | -76.6 | -25.1 | 0 | 0 | 0 | 111.6 | N263 V264 D265 | D261-N263 VanDerWaalsContact C-N 3.28Å; D261-N263 PolarHBondContact O-N 3.19Å; D261-V264 WeakPolarHBondContact O-CB 3.03Å; D261-V264 PolarHBondContact O-N 2.69Å; D261-V264 VanDerWaalsContact O-N 3.1Å; D261-D265 PolarHBondContact O-N 3.17Å |
| 262 | R | 87.4 | Confident | 78.1 | Confident | 165 Ų | 165 | 96.3 Ų | 96.3 | 62% | 0.623 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -60.8 | -37.8 | 173.9 | -65.1 | -174 | 178.9 | -169.8 | 1.2 | 112.1 | E260 V266 | E260-R262 VanDerWaalsContact C-N 3.28Å; E260-R262 PolarHBondContact O-N 3.45Å; R262-V266 WeakPolarHBondContact O-CB 3.42Å; R262-V266 VanDerWaalsContact O-CG2 3.25Å; R262-V266 WeakPolarHBondContact O-CG2 3.02Å; R262-V266 PolarHBondContact O-N 3.01Å |
| 263 | N | 92.6 | Very high | 79.7 | Confident | 54 Ų | 54 | 89.1 Ų | 89.1 | 29% | 0.289 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -71.4 | -32.3 | 175.2 | -68.9 | -30 | 0 | 0 | 0 | 112.1 | L207 S259 E260 D261 M267 | L207-N263 HydrophobicContact CD2-CB 4.09Å; L207-N263 HydrophobicContact CG-CB 4.12Å; S259-N263 PolarHBondContact O-N 2.72Å; S259-N263 PolarHBondContact O-ND2 3.48Å; E260-N263 CarbonylContact O-C 3.57Å; E260-N263 WeakPolarHBondContact O-CA 3.37Å; E260-N263 WeakPolarHBondContact O-CB 3.34Å; E260-N263 PolarHBondContact O-N 3.1Å; D261-N263 VanDerWaalsContact C-N 3.28Å; D261-N263 PolarHBondContact O-N 3.19Å; N263-M267 WeakPolarHBondContact O-CB 3.33Å; N263-M267 PolarHBondContact O-N 3.06Å |
| 264 | V | 93 | Very high | 81.6 | Confident | 12 Ų | 12 | 79.8 Ų | 79.8 | 7% | 0.073 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.2 | -50.3 | 171.9 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | L207 E246 L247 E260 D261 M267 K268 | L207-V264 HydrophobicContact CD2-CB 4.3Å; L207-V264 HydrophobicContact CD2-CG2 3.49Å; L207-V264 VanDerWaalsContact CD2-CG2 3.49Å; E246-V264 HydrophobicContact CB-CG2 3.9Å; L247-V264 HydrophobicContact CD2-CG1 4.32Å; E260-V264 WeakPolarHBondContact O-CG2 3.41Å; E260-V264 PolarHBondContact O-N 3.08Å; D261-V264 WeakPolarHBondContact O-CB 3.03Å; D261-V264 PolarHBondContact O-N 2.69Å; D261-V264 VanDerWaalsContact O-N 3.1Å; V264-M267 PolarHBondContact O-N 3.27Å; V264-K268 WeakPolarHBondContact O-CG 3.42Å; V264-K268 PolarHBondContact O-N 2.93Å |
| 265 | D | 91.7 | Very high | 83.5 | Confident | 75 Ų | 75 | 73.3 Ų | 73.3 | 40% | 0.401 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -70.9 | -37.4 | -177.7 | -68 | -28.7 | 0 | 0 | 0 | 112.7 | D261 M267 K268 Q269 | D261-D265 PolarHBondContact O-N 3.17Å; D265-M267 VanDerWaalsContact C-N 3.33Å; D265-M267 PolarHBondContact O-N 3.43Å; D265-K268 PolarHBondContact O-N 2.76Å; D265-K268 IonicContact OD1-NZ 3.28Å; D265-K268 PolarHBondContact OD1-NZ 3.37Å; D265-Q269 PolarHBondContact O-N 3.23Å |
| 266 | V | 94.2 | Very high | 85.1 | Confident | 61 Ų | 61 | 70.6 Ų | 70.6 | 37% | 0.37 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.2 | -38.9 | 170.7 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | V211 R262 Q269 R270 | V211-V266 HydrophobicContact CG1-CB 4.43Å; V211-V266 HydrophobicContact CG1-CG1 3.52Å; V211-V266 HydrophobicContact CG2-CG1 4.44Å; R262-V266 WeakPolarHBondContact O-CB 3.42Å; R262-V266 VanDerWaalsContact O-CG2 3.25Å; R262-V266 WeakPolarHBondContact O-CG2 3.02Å; R262-V266 PolarHBondContact O-N 3.01Å; V266-Q269 PolarHBondContact O-N 2.87Å; V266-R270 HydrophobicContact CG1-CG 4Å; V266-R270 WeakPolarHBondContact O-CB 3.4Å; V266-R270 WeakPolarHBondContact O-CG 3.41Å; V266-R270 PolarHBondContact O-N 3.39Å |
| 267 | M | 95.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.9 | -47.2 | 174.5 | -179.8 | 60 | 80.2 | 0 | 0 | 111.8 | L207 C210 V211 L214 V239 L247 N263 V264 D265 Q269 R270 L271 | L207-M267 HydrophobicContact CD1-CB 4.03Å; L207-M267 HydrophobicContact CD1-CE 3.75Å; L207-M267 HydrophobicContact CD1-CG 3.95Å; C210-M267 HydrophobicContact CB-CE 3.38Å; V211-M267 HydrophobicContact CG2-CB 3.87Å; V211-M267 HydrophobicContact CG2-CE 3.86Å; L214-M267 HydrophobicContact CD2-SD 3.66Å; V239-M267 HydrophobicContact CG1-CE 3.72Å; V239-M267 HydrophobicContact CG1-SD 4.12Å; L247-M267 HydrophobicContact CD1-CG 4.38Å; L247-M267 HydrophobicContact CD2-CB 4.02Å; L247-M267 HydrophobicContact CD2-CG 3.76Å; N263-M267 WeakPolarHBondContact O-CB 3.33Å; N263-M267 PolarHBondContact O-N 3.06Å; V264-M267 PolarHBondContact O-N 3.27Å; D265-M267 VanDerWaalsContact C-N 3.33Å; D265-M267 PolarHBondContact O-N 3.43Å; M267-Q269 VanDerWaalsContact C-N 3.31Å; M267-Q269 PolarHBondContact O-N 3.39Å; M267-R270 PolarHBondContact O-N 3.03Å; M267-L271 HydrophobicContact CG-CD1 3.76Å; M267-L271 HydrophobicContact CG-CG 4.2Å; M267-L271 WeakPolarHBondContact O-CB 3.26Å; M267-L271 VanDerWaalsContact O-CG 3.31Å; M267-L271 WeakPolarHBondContact O-CG 3.47Å; M267-L271 PolarHBondContact O-N 2.89Å; M267-L271 HydrophobicContact SD-CD1 3.84Å; M267-L271 HydrophobicContact SD-CD2 4.2Å; M267-L271 HydrophobicContact SD-CG 3.72Å |
| 268 | K | 94.5 | Very high | 87.3 | Confident | 21 Ų | 21 | 64.9 Ų | 64.9 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -52.4 | -50 | 174.3 | -70.5 | 171.8 | -172.1 | 158 | 0 | 111 | L247 K249 V264 D265 L271 K272 | L247-K268 HydrophobicContact CD2-CG 3.71Å; L247-K268 VanDerWaalsContact O-CE 3.23Å; L247-K268 WeakPolarHBondContact O-CE 3.39Å; K249-K268 PolarHBondContact O-NZ 3.21Å; V264-K268 WeakPolarHBondContact O-CG 3.42Å; V264-K268 PolarHBondContact O-N 2.93Å; D265-K268 PolarHBondContact O-N 2.76Å; D265-K268 IonicContact OD1-NZ 3.28Å; D265-K268 PolarHBondContact OD1-NZ 3.37Å; K268-L271 PolarHBondContact O-N 2.68Å; K268-K272 WeakPolarHBondContact O-CG 3.35Å; K268-K272 PolarHBondContact O-N 2.86Å |
| 269 | Q | 93.9 | Very high | 88.5 | Confident | 95 Ų | 95 | 64.1 Ų | 64.1 | 44% | 0.444 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.6 | -46.6 | -180 | -178.3 | 56.6 | 40 | 0 | 0 | 111.9 | D265 V266 M267 L271 K272 D273 | D265-Q269 PolarHBondContact O-N 3.23Å; V266-Q269 PolarHBondContact O-N 2.87Å; M267-Q269 VanDerWaalsContact C-N 3.31Å; M267-Q269 PolarHBondContact O-N 3.39Å; Q269-L271 VanDerWaalsContact C-N 3.35Å; Q269-L271 PolarHBondContact O-N 3.11Å; Q269-K272 PolarHBondContact O-N 3.39Å; Q269-D273 PolarHBondContact NE2-OD1 3.08Å; Q269-D273 VanDerWaalsContact NE2-OD1 3.17Å; Q269-D273 PolarHBondContact NE2-OD2 2.93Å; Q269-D273 WeakPolarHBondContact O-CB 3.5Å; Q269-D273 PolarHBondContact O-N 2.88Å |
| 270 | R | 94.7 | Very high | 89.7 | Confident | 119 Ų | 119 | 66.9 Ų | 66.9 | 45% | 0.449 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.8 | -35.6 | 179.5 | -69.2 | -70.8 | -168 | -149.2 | 1.9 | 112.7 | L214 V266 M267 D273 L274 | L214-R270 HydrophobicContact CD2-CB 3.48Å; L214-R270 VanDerWaalsContact CD2-CB 3.48Å; L214-R270 HydrophobicContact CG-CB 4.36Å; V266-R270 HydrophobicContact CG1-CG 4Å; V266-R270 WeakPolarHBondContact O-CB 3.4Å; V266-R270 WeakPolarHBondContact O-CG 3.41Å; V266-R270 PolarHBondContact O-N 3.39Å; M267-R270 PolarHBondContact O-N 3.03Å; R270-D273 PolarHBondContact O-N 2.97Å; R270-L274 WeakPolarHBondContact O-CB 3.35Å; R270-L274 PolarHBondContact O-N 3.35Å |
| 271 | L | 95.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.8 | -41.4 | 173.9 | -71.2 | 170.7 | 0 | 0 | 0 | 111.7 | L214 V236 I240 L247 M267 K268 Q269 D273 L274 W275 L299 L302 | L214-L271 HydrophobicContact CD1-CD2 4.49Å; L214-L271 HydrophobicContact CD2-CD2 4.03Å; L214-L271 HydrophobicContact CD2-CG 4.23Å; V236-L271 HydrophobicContact CG1-CD2 4.35Å; I240-L271 HydrophobicContact CD1-CD2 4.29Å; I240-L271 HydrophobicContact CG1-CD1 4.02Å; I240-L271 HydrophobicContact CG1-CD2 4.13Å; L247-L271 HydrophobicContact CD1-CD1 4Å; M267-L271 HydrophobicContact CG-CD1 3.76Å; M267-L271 HydrophobicContact CG-CG 4.2Å; M267-L271 WeakPolarHBondContact O-CB 3.26Å; M267-L271 VanDerWaalsContact O-CG 3.31Å; M267-L271 WeakPolarHBondContact O-CG 3.47Å; M267-L271 PolarHBondContact O-N 2.89Å; M267-L271 HydrophobicContact SD-CD1 3.84Å; M267-L271 HydrophobicContact SD-CD2 4.2Å; M267-L271 HydrophobicContact SD-CG 3.72Å; K268-L271 PolarHBondContact O-N 2.68Å; Q269-L271 VanDerWaalsContact C-N 3.35Å; Q269-L271 PolarHBondContact O-N 3.11Å; L271-D273 VanDerWaalsContact C-N 3.32Å; L271-D273 PolarHBondContact O-N 3.01Å; L271-L274 WeakPolarHBondContact O-CB 3.47Å; L271-L274 PolarHBondContact O-N 2.92Å; L271-W275 PolarHBondContact O-N 3.27Å; L271-W275 VanDerWaalsContact O-N 3.1Å; L271-L299 HydrophobicContact CB-CD2 3.79Å; L271-L299 HydrophobicContact CD1-CD2 4.13Å; L271-L299 HydrophobicContact CG-CD2 4.37Å; L271-L302 HydrophobicContact CB-CD1 4.41Å; L271-L302 HydrophobicContact CD1-CD1 4.5Å |
| 272 | K | 93.3 | Very high | 91.2 | Very high | 67 Ų | 67 | 57.5 Ų | 57.5 | 29% | 0.291 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.2 | -38.6 | 172.1 | -71.8 | 174.8 | 175.8 | -178.4 | 0 | 111.5 | K268 Q269 W275 K276 L302 P303 | K268-K272 WeakPolarHBondContact O-CG 3.35Å; K268-K272 PolarHBondContact O-N 2.86Å; Q269-K272 PolarHBondContact O-N 3.39Å; K272-W275 PolarHBondContact O-N 3.5Å; K272-K276 PolarHBondContact O-N 3.19Å; K272-L302 PolarHBondContact NZ-O 3.15Å; K272-L302 VanDerWaalsContact NZ-O 3.13Å; K272-P303 PolarHBondContact NZ-O 2.73Å; K272-P303 PolarHBondContact NZ-OXT 3.16Å |
| 273 | D | 92.9 | Very high | 91.4 | Very high | 43 Ų | 43 | 56.9 Ų | 56.9 | 23% | 0.23 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -76.1 | -21 | 175.6 | -72 | -30.5 | 0 | 0 | 0 | 114.7 | K218 Q269 R270 L271 K276 | K218-D273 PolarHBondContact NZ-O 3.32Å; Q269-D273 PolarHBondContact NE2-OD1 3.08Å; Q269-D273 VanDerWaalsContact NE2-OD1 3.17Å; Q269-D273 PolarHBondContact NE2-OD2 2.93Å; Q269-D273 WeakPolarHBondContact O-CB 3.5Å; Q269-D273 PolarHBondContact O-N 2.88Å; R270-D273 PolarHBondContact O-N 2.97Å; L271-D273 VanDerWaalsContact C-N 3.32Å; L271-D273 PolarHBondContact O-N 3.01Å; D273-K276 WeakPolarHBondContact OD1-CE 3.22Å; D273-K276 IonicContact OD1-NZ 2.86Å; D273-K276 PolarHBondContact OD1-NZ 3.34Å |
| 274 | L | 92.8 | Very high | 91.3 | Very high | 4 Ų | 4 | 57.3 Ų | 57.3 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.3 | -49.3 | 168 | -170.8 | 78.9 | 0 | 0 | 0 | 109.8 | L214 K218 L221 V236 R270 L271 K276 E277 G278 | L214-L274 HydrophobicContact CD1-CD1 4.1Å; L214-L274 HydrophobicContact CD1-CD2 4.06Å; K218-L274 HydrophobicContact CB-CD1 3.52Å; K218-L274 HydrophobicContact CD-CD1 4.16Å; K218-L274 HydrophobicContact CG-CD1 3.81Å; L221-L274 HydrophobicContact CD1-CD1 3.91Å; L221-L274 HydrophobicContact CD1-CD2 3.93Å; L221-L274 HydrophobicContact CD1-CG 4.03Å; V236-L274 HydrophobicContact CG1-CD2 3.93Å; V236-L274 HydrophobicContact CG2-CD2 3.9Å; R270-L274 WeakPolarHBondContact O-CB 3.35Å; R270-L274 PolarHBondContact O-N 3.35Å; L271-L274 WeakPolarHBondContact O-CB 3.47Å; L271-L274 PolarHBondContact O-N 2.92Å; L274-K276 PolarHBondContact O-N 2.72Å; L274-E277 PolarHBondContact O-N 2.92Å; L274-G278 PolarHBondContact O-N 2.91Å |
| 275 | W | 93.4 | Very high | 91.1 | Very high | 17 Ų | 17 | 62.3 Ų | 62.3 | 6% | 0.064 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -77.2 | -18.3 | -167.9 | -135.2 | -103.5 | 0 | 0 | 0 | 115.4 | L233 L271 K272 E277 G278 S279 A292 I295 E296 L299 | L233-W275 HydrophobicContact CD2-CH2 3.77Å; L233-W275 HydrophobicContact CD2-CZ3 4.29Å; L271-W275 PolarHBondContact O-N 3.27Å; L271-W275 VanDerWaalsContact O-N 3.1Å; K272-W275 PolarHBondContact O-N 3.5Å; W275-E277 PolarHBondContact O-N 3.44Å; W275-G278 PolarHBondContact O-N 3.39Å; W275-S279 WeakPolarHBondContact O-CB 3.44Å; W275-S279 PolarHBondContact O-N 2.93Å; W275-S279 PolarHBondContact O-OG 3.49Å; W275-A292 HydrophobicContact CH2-CB 4.45Å; W275-A292 HydrophobicContact CZ2-CB 4.1Å; W275-A292 VanDerWaalsContact CZ2-O 3.3Å; W275-A292 WeakPolarHBondContact CZ2-O 3.2Å; W275-I295 HydrophobicContact CD2-CG2 4.15Å; W275-I295 HydrophobicContact CE3-CG2 3.77Å; W275-I295 HydrophobicContact CH2-CB 3.64Å; W275-I295 HydrophobicContact CH2-CD1 3.97Å; W275-I295 HydrophobicContact CH2-CG1 4.44Å; W275-I295 HydrophobicContact CH2-CG2 3.39Å; W275-I295 HydrophobicContact CZ2-CB 3.89Å; W275-I295 HydrophobicContact CZ2-CG2 3.79Å; W275-I295 HydrophobicContact CZ3-CB 4.15Å; W275-I295 HydrophobicContact CZ3-CD1 4.42Å; W275-I295 HydrophobicContact CZ3-CG2 3.38Å; W275-E296 HydrophobicContact CZ2-CB 4.46Å; W275-E296 VanDerWaalsContact NE1-CB 3.35Å; W275-E296 PolarHBondContact NE1-OE1 2.95Å; W275-L299 HydrophobicContact CB-CD1 3.74Å; W275-L299 HydrophobicContact CD2-CD1 3.57Å; W275-L299 HydrophobicContact CE3-CD1 3.59Å; W275-L299 HydrophobicContact CG-CD1 3.61Å; W275-L299 HydrophobicContact CZ3-CD1 4.48Å |
| 276 | K | 88.7 | Confident | 91.1 | Very high | 138 Ų | 138 | 60.8 Ų | 60.8 | 60% | 0.6 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -51.3 | -40.8 | 168.4 | -73.6 | 170.2 | -173.3 | 170.5 | 0 | 112.1 | K272 D273 L274 S279 | K272-K276 PolarHBondContact O-N 3.19Å; D273-K276 WeakPolarHBondContact OD1-CE 3.22Å; D273-K276 IonicContact OD1-NZ 2.86Å; D273-K276 PolarHBondContact OD1-NZ 3.34Å; L274-K276 PolarHBondContact O-N 2.72Å; K276-S279 PolarHBondContact O-OG 2.75Å |
| 277 | E | 79.6 | Confident | 91 | Very high | 106 Ų | 106 | 62.1 Ų | 62.1 | 50% | 0.495 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -94.1 | -38.3 | 175 | -72.8 | 151.9 | -123.5 | 0 | 0 | 111.6 | K218 L274 W275 S279 Q280 | K218-E277 WeakPolarHBondContact CE-OE1 3.45Å; K218-E277 WeakPolarHBondContact CE-OE2 3.47Å; K218-E277 IonicContact NZ-OE1 3.92Å; K218-E277 PolarHBondContact NZ-OE1 3.41Å; K218-E277 IonicContact NZ-OE2 3.17Å; K218-E277 PolarHBondContact NZ-OE2 2.83Å; L274-E277 PolarHBondContact O-N 2.92Å; W275-E277 PolarHBondContact O-N 3.44Å; E277-S279 VanDerWaalsContact C-N 3.27Å; E277-S279 PolarHBondContact O-N 3.23Å; E277-Q280 PolarHBondContact O-N 3.25Å |
| 278 | G | 81 | Confident | 90.9 | Very high | 6 Ų | 6 | 62.4 Ų | 62.4 | 6% | 0.062 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.6 | -23.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | L274 W275 Q280 L281 | L274-G278 PolarHBondContact O-N 2.91Å; W275-G278 PolarHBondContact O-N 3.39Å; G278-Q280 PolarHBondContact O-N 3.11Å; G278-Q280 VanDerWaalsContact O-N 3.1Å; G278-L281 VanDerWaalsContact O-CB 3.25Å; G278-L281 WeakPolarHBondContact O-CB 3.33Å; G278-L281 WeakPolarHBondContact O-CG 3.5Å; G278-L281 PolarHBondContact O-N 2.88Å |
| 279 | S | 86.8 | Confident | 90.9 | Very high | 45 Ų | 45 | 61.4 Ų | 61.4 | 32% | 0.315 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -54.5 | -27.7 | 177.7 | 56.6 | 0 | 0 | 0 | 0 | 114.2 | W275 K276 E277 L281 C282 | W275-S279 WeakPolarHBondContact O-CB 3.44Å; W275-S279 PolarHBondContact O-N 2.93Å; W275-S279 PolarHBondContact O-OG 3.49Å; K276-S279 PolarHBondContact O-OG 2.75Å; E277-S279 VanDerWaalsContact C-N 3.27Å; E277-S279 PolarHBondContact O-N 3.23Å; S279-L281 PolarHBondContact O-N 3.43Å; S279-C282 WeakPolarHBondContact O-CB 3.42Å; S279-C282 PolarHBondContact O-N 2.9Å; S279-C282 VanDerWaalsContact O-N 3.14Å |
| 280 | Q | 90.6 | Very high | 91 | Very high | 142 Ų | 142 | 61.6 Ų | 61.6 | 66% | 0.664 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -63.2 | -25.9 | 175.6 | -60.5 | -175 | 14.9 | 0 | 0 | 112.6 | E277 G278 C282 L283 | E277-Q280 PolarHBondContact O-N 3.25Å; G278-Q280 PolarHBondContact O-N 3.11Å; G278-Q280 VanDerWaalsContact O-N 3.1Å; Q280-C282 VanDerWaalsContact C-N 3.25Å; Q280-C282 PolarHBondContact O-N 3.46Å; Q280-L283 WeakPolarHBondContact O-CB 3.25Å; Q280-L283 PolarHBondContact O-N 3.08Å |
| 281 | L | 91.5 | Very high | 91 | Very high | 22 Ų | 22 | 56.7 Ų | 56.7 | 12% | 0.115 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -68 | -24.5 | 177.5 | -58.6 | 175.1 | 0 | 0 | 0 | 112.3 | L221 I229 L233 G278 S279 L283 V284 A292 | L221-L281 HydrophobicContact CB-CD1 4.49Å; L221-L281 HydrophobicContact CD2-CD1 4.12Å; I229-L281 HydrophobicContact CD1-CD2 4.32Å; I229-L281 HydrophobicContact CG2-CD1 3.88Å; I229-L281 HydrophobicContact CG2-CD2 4.1Å; L233-L281 HydrophobicContact CD2-CD1 4.07Å; G278-L281 VanDerWaalsContact O-CB 3.25Å; G278-L281 WeakPolarHBondContact O-CB 3.33Å; G278-L281 WeakPolarHBondContact O-CG 3.5Å; G278-L281 PolarHBondContact O-N 2.88Å; S279-L281 PolarHBondContact O-N 3.43Å; L281-L283 PolarHBondContact O-N 2.67Å; L281-V284 WeakPolarHBondContact O-CB 3.35Å; L281-V284 WeakPolarHBondContact O-CG2 3.35Å; L281-V284 PolarHBondContact O-N 2.95Å; L281-V284 VanDerWaalsContact O-N 3.11Å; L281-A292 HydrophobicContact CB-CB 3.77Å |
| 282 | C | 91.5 | Very high | 91 | Very high | 14 Ų | 14 | 56.6 Ų | 56.6 | 10% | 0.095 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -67.4 | -15.8 | 175.2 | -60.4 | 0 | 0 | 0 | 0 | 113.3 | S279 Q280 A292 K293 E296 | S279-C282 WeakPolarHBondContact O-CB 3.42Å; S279-C282 PolarHBondContact O-N 2.9Å; S279-C282 VanDerWaalsContact O-N 3.14Å; Q280-C282 VanDerWaalsContact C-N 3.25Å; Q280-C282 PolarHBondContact O-N 3.46Å; C282-A292 VanDerWaalsContact SG-C 3.55Å; C282-K293 HydrophobicContact CB-CG 3.94Å; C282-K293 WeakPolarHBondContact O-CE 3.22Å; C282-E296 PolarHBondContact SG-OE2 3.48Å |
| 283 | L | 90.9 | Very high | 91.1 | Very high | 153 Ų | 153 | 57.1 Ų | 57.1 | 80% | 0.801 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -85 | -10.7 | 174.6 | -55.8 | 177.7 | 0 | 0 | 0 | 113.1 | Q280 L281 | Q280-L283 WeakPolarHBondContact O-CB 3.25Å; Q280-L283 PolarHBondContact O-N 3.08Å; L281-L283 PolarHBondContact O-N 2.67Å |
| 284 | V | 90.5 | Very high | 91.2 | Very high | 63 Ų | 63 | 57.7 Ų | 57.7 | 38% | 0.382 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -74.8 | 139.4 | 178.3 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | L281 G289 | L281-V284 WeakPolarHBondContact O-CB 3.35Å; L281-V284 WeakPolarHBondContact O-CG2 3.35Å; L281-V284 PolarHBondContact O-N 2.95Å; L281-V284 VanDerWaalsContact O-N 3.11Å; V284-G289 WeakPolarHBondContact O-CA 3.43Å |
| 285 | S | 89.3 | Confident | 91.4 | Very high | 117 Ų | 117 | 57.5 Ų | 57.5 | 82% | 0.818 | 32% | 0.32 | S | S | * | . | trans | -82.1 | 142.5 | 174.4 | -65.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 286 | G | 92.4 | Very high | 91.5 | Very high | 43 Ų | 43 | 59.5 Ų | 59.5 | 44% | 0.443 | 33% | 0.33 | S | S | . | . | S | Bend | trans | 100.2 | -166 | 175 | 0 | 0 | 0 | 0 | 0 | 114.1 | V288 G289 E290 | G286-V288 VanDerWaalsContact C-N 3.32Å; G286-V288 PolarHBondContact O-N 3.31Å; G286-G289 PolarHBondContact O-N 3.41Å; G286-G289 VanDerWaalsContact O-N 3.08Å; G286-E290 PolarHBondContact O-N 3.34Å; G286-E290 VanDerWaalsContact O-N 3.08Å |
| 287 | S | 92.3 | Very high | 91.7 | Very high | 89 Ų | 89 | 55.7 Ų | 55.7 | 62% | 0.622 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -55.8 | -41.3 | -171.7 | 46.6 | 0 | 0 | 0 | 0 | 113.6 | G289 E290 L291 | S287-G289 VanDerWaalsContact C-N 3.34Å; S287-G289 PolarHBondContact O-N 3.28Å; S287-E290 PolarHBondContact O-N 3.37Å; S287-L291 VanDerWaalsContact O-CB 3.25Å; S287-L291 WeakPolarHBondContact O-CB 3.5Å; S287-L291 PolarHBondContact O-N 2.71Å |
| 288 | V | 93.8 | Very high | 92.4 | Very high | 5 Ų | 5 | 53.1 Ų | 53.1 | 3% | 0.03 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 177.3 | -179.6 | 0 | 0 | 0 | 0 | 111.4 | E226 I229 T230 L233 G286 A292 | E226-V288 HydrophobicContact CG-CG2 3.82Å; I229-V288 HydrophobicContact CG2-CG1 3.93Å; T230-V288 WeakPolarHBondContact OG1-CG2 3.45Å; L233-V288 HydrophobicContact CD1-CG1 3.76Å; G286-V288 VanDerWaalsContact C-N 3.32Å; G286-V288 PolarHBondContact O-N 3.31Å; V288-A292 WeakPolarHBondContact O-CB 3.28Å; V288-A292 PolarHBondContact O-N 2.86Å |
| 289 | G | 94.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.4 | -41.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V284 G286 S287 L291 A292 K293 | V284-G289 WeakPolarHBondContact O-CA 3.43Å; G286-G289 PolarHBondContact O-N 3.41Å; G286-G289 VanDerWaalsContact O-N 3.08Å; S287-G289 VanDerWaalsContact C-N 3.34Å; S287-G289 PolarHBondContact O-N 3.28Å; G289-L291 VanDerWaalsContact C-N 3.33Å; G289-L291 PolarHBondContact O-N 3.44Å; G289-A292 PolarHBondContact O-N 3.08Å; G289-K293 VanDerWaalsContact O-CG 3.26Å; G289-K293 WeakPolarHBondContact O-CG 3.29Å; G289-K293 PolarHBondContact O-N 3.48Å |
| 290 | E | 95.2 | Very high | 93.1 | Very high | 99 Ų | 99 | 56 Ų | 56 | 46% | 0.463 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67 | -35 | 175.2 | -59.1 | -46 | 132.5 | 0 | 0 | 112.1 | G286 S287 K293 T294 | G286-E290 PolarHBondContact O-N 3.34Å; G286-E290 VanDerWaalsContact O-N 3.08Å; S287-E290 PolarHBondContact O-N 3.37Å; E290-K293 IonicContact OE1-NZ 2.69Å; E290-K293 PolarHBondContact OE1-NZ 3.39Å; E290-K293 WeakPolarHBondContact OE2-CD 3.36Å; E290-K293 IonicContact OE2-NZ 2.68Å; E290-T294 WeakPolarHBondContact O-CB 3.39Å; E290-T294 PolarHBondContact O-N 3.37Å; E290-T294 PolarHBondContact O-OG1 3.47Å |
| 291 | L | 94.4 | Very high | 93.1 | Very high | 16 Ų | 16 | 55.5 Ų | 55.5 | 8% | 0.084 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.1 | -40.8 | 171.9 | -179.9 | 58.4 | 0 | 0 | 0 | 111.7 | L233 Q237 S287 G289 T294 I295 | L233-L291 HydrophobicContact CB-CD2 3.48Å; L233-L291 VanDerWaalsContact CB-CD2 3.48Å; L233-L291 HydrophobicContact CB-CG 3.9Å; L233-L291 HydrophobicContact CD1-CD2 4.19Å; L233-L291 HydrophobicContact CD1-CG 4.32Å; L233-L291 HydrophobicContact CG-CD2 4.5Å; Q237-L291 HydrophobicContact CB-CD1 4.23Å; Q237-L291 VanDerWaalsContact CD-CD1 3.41Å; Q237-L291 HydrophobicContact CG-CD1 4.2Å; S287-L291 VanDerWaalsContact O-CB 3.25Å; S287-L291 WeakPolarHBondContact O-CB 3.5Å; S287-L291 PolarHBondContact O-N 2.71Å; G289-L291 VanDerWaalsContact C-N 3.33Å; G289-L291 PolarHBondContact O-N 3.44Å; L291-T294 WeakPolarHBondContact O-CB 3.34Å; L291-T294 PolarHBondContact O-N 2.92Å; L291-I295 HydrophobicContact CD1-CD1 4.47Å; L291-I295 HydrophobicContact CG-CD1 4.4Å; L291-I295 WeakPolarHBondContact O-CG1 3.49Å; L291-I295 PolarHBondContact O-N 2.99Å |
| 292 | A | 95.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.9 | -48.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | W275 L281 C282 V288 G289 T294 I295 E296 | W275-A292 HydrophobicContact CH2-CB 4.45Å; W275-A292 HydrophobicContact CZ2-CB 4.1Å; W275-A292 VanDerWaalsContact CZ2-O 3.3Å; W275-A292 WeakPolarHBondContact CZ2-O 3.2Å; L281-A292 HydrophobicContact CB-CB 3.77Å; C282-A292 VanDerWaalsContact SG-C 3.55Å; V288-A292 WeakPolarHBondContact O-CB 3.28Å; V288-A292 PolarHBondContact O-N 2.86Å; G289-A292 PolarHBondContact O-N 3.08Å; A292-T294 VanDerWaalsContact C-N 3.25Å; A292-T294 PolarHBondContact O-N 3.21Å; A292-I295 WeakPolarHBondContact O-CA 3.25Å; A292-I295 PolarHBondContact O-N 3.49Å; A292-E296 WeakPolarHBondContact O-CB 3.49Å; A292-E296 PolarHBondContact O-N 2.85Å |
| 293 | K | 95.7 | Very high | 92.3 | Very high | 78 Ų | 78 | 58.8 Ų | 58.8 | 34% | 0.339 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.1 | -36.9 | 174.5 | -66.3 | 163.7 | -163.9 | 172.3 | 0 | 112.3 | C282 G289 E290 I295 E296 S297 | C282-K293 HydrophobicContact CB-CG 3.94Å; C282-K293 WeakPolarHBondContact O-CE 3.22Å; G289-K293 VanDerWaalsContact O-CG 3.26Å; G289-K293 WeakPolarHBondContact O-CG 3.29Å; G289-K293 PolarHBondContact O-N 3.48Å; E290-K293 IonicContact OE1-NZ 2.69Å; E290-K293 PolarHBondContact OE1-NZ 3.39Å; E290-K293 WeakPolarHBondContact OE2-CD 3.36Å; E290-K293 IonicContact OE2-NZ 2.68Å; K293-I295 VanDerWaalsContact C-N 3.34Å; K293-E296 PolarHBondContact O-N 2.99Å; K293-S297 PolarHBondContact O-N 3.25Å; K293-S297 PolarHBondContact O-OG 2.76Å |
| 294 | T | 95.7 | Very high | 92.4 | Very high | 54 Ų | 54 | 54.1 Ų | 54.1 | 33% | 0.331 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 173.8 | -59.5 | 0 | 0 | 0 | 0 | 110.8 | E290 L291 A292 S297 H298 | E290-T294 WeakPolarHBondContact O-CB 3.39Å; E290-T294 PolarHBondContact O-N 3.37Å; E290-T294 PolarHBondContact O-OG1 3.47Å; L291-T294 WeakPolarHBondContact O-CB 3.34Å; L291-T294 PolarHBondContact O-N 2.92Å; A292-T294 VanDerWaalsContact C-N 3.25Å; A292-T294 PolarHBondContact O-N 3.21Å; T294-S297 PolarHBondContact O-OG 3.48Å; T294-H298 PolarHBondContact O-ND1 2.77Å |
| 295 | I | 95.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.6 | -45.9 | 176 | -69 | 158.3 | 0 | 0 | 0 | 111 | L233 V236 Q237 I240 W275 L291 A292 K293 S297 H298 L299 | L233-I295 HydrophobicContact CB-CD1 4.18Å; L233-I295 HydrophobicContact CD2-CD1 3.77Å; V236-I295 HydrophobicContact CB-CD1 4.46Å; V236-I295 HydrophobicContact CG1-CD1 4.26Å; V236-I295 HydrophobicContact CG1-CG2 4.12Å; Q237-I295 HydrophobicContact CB-CD1 4.15Å; Q237-I295 HydrophobicContact CB-CG1 4.05Å; Q237-I295 HydrophobicContact CG-CG1 4.34Å; I240-I295 HydrophobicContact CD1-CG2 3.6Å; W275-I295 HydrophobicContact CD2-CG2 4.15Å; W275-I295 HydrophobicContact CE3-CG2 3.77Å; W275-I295 HydrophobicContact CH2-CB 3.64Å; W275-I295 HydrophobicContact CH2-CD1 3.97Å; W275-I295 HydrophobicContact CH2-CG1 4.44Å; W275-I295 HydrophobicContact CH2-CG2 3.39Å; W275-I295 HydrophobicContact CZ2-CB 3.89Å; W275-I295 HydrophobicContact CZ2-CG2 3.79Å; W275-I295 HydrophobicContact CZ3-CB 4.15Å; W275-I295 HydrophobicContact CZ3-CD1 4.42Å; W275-I295 HydrophobicContact CZ3-CG2 3.38Å; L291-I295 HydrophobicContact CD1-CD1 4.47Å; L291-I295 HydrophobicContact CG-CD1 4.4Å; L291-I295 WeakPolarHBondContact O-CG1 3.49Å; L291-I295 PolarHBondContact O-N 2.99Å; A292-I295 WeakPolarHBondContact O-CA 3.25Å; A292-I295 PolarHBondContact O-N 3.49Å; K293-I295 VanDerWaalsContact C-N 3.34Å; I295-S297 VanDerWaalsContact C-N 3.31Å; I295-S297 PolarHBondContact O-N 3.43Å; I295-H298 PolarHBondContact O-N 3.32Å; I295-L299 HydrophobicContact CG2-CD1 3.66Å; I295-L299 HydrophobicContact CG2-CG 4.02Å; I295-L299 WeakPolarHBondContact O-CG 3.32Å; I295-L299 PolarHBondContact O-N 2.82Å |
| 296 | E | 95.3 | Very high | 92.7 | Very high | 59 Ų | 59 | 50.1 Ų | 50.1 | 28% | 0.276 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -55.4 | -42.5 | 179.3 | -173.3 | 161.3 | -107.8 | 0 | 0 | 113.1 | W275 C282 A292 K293 H298 L299 S300 | W275-E296 HydrophobicContact CZ2-CB 4.46Å; W275-E296 VanDerWaalsContact NE1-CB 3.35Å; W275-E296 PolarHBondContact NE1-OE1 2.95Å; C282-E296 PolarHBondContact SG-OE2 3.48Å; A292-E296 WeakPolarHBondContact O-CB 3.49Å; A292-E296 PolarHBondContact O-N 2.85Å; K293-E296 PolarHBondContact O-N 2.99Å; E296-H298 VanDerWaalsContact C-N 3.34Å; E296-H298 PolarHBondContact O-N 3.3Å; E296-L299 PolarHBondContact O-N 3.39Å; E296-S300 WeakPolarHBondContact O-CB 3.32Å; E296-S300 PolarHBondContact O-N 3.12Å; E296-S300 PolarHBondContact O-OG 2.92Å |
| 297 | S | 94.4 | Very high | 92.7 | Very high | 57 Ų | 57 | 50.5 Ų | 50.5 | 40% | 0.399 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.5 | -29.8 | 177.6 | 52.9 | 0 | 0 | 0 | 0 | 113.4 | K293 T294 I295 Q301 | K293-S297 PolarHBondContact O-N 3.25Å; K293-S297 PolarHBondContact O-OG 2.76Å; T294-S297 PolarHBondContact O-OG 3.48Å; I295-S297 VanDerWaalsContact C-N 3.31Å; I295-S297 PolarHBondContact O-N 3.43Å; S297-Q301 WeakPolarHBondContact O-CG 3.29Å; S297-Q301 PolarHBondContact O-NE2 3.49Å |
| 298 | H | 92.8 | Very high | 92.7 | Very high | 52 Ų | 52 | 48.1 Ų | 48.1 | 24% | 0.241 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -73 | -45.3 | 168.6 | -68.6 | 84.8 | 0 | 0 | 0 | 111.2 | I240 W244 T294 I295 E296 S300 Q301 | I240-H298 HydrophobicContact CG2-CB 3.84Å; W244-H298 HydrophobicContact CH2-CB 4.41Å; W244-H298 WeakPolarHBondContact CH2-O 3.38Å; W244-H298 HydrophobicContact CZ3-CB 4.1Å; T294-H298 PolarHBondContact O-ND1 2.77Å; I295-H298 PolarHBondContact O-N 3.32Å; E296-H298 VanDerWaalsContact C-N 3.34Å; E296-H298 PolarHBondContact O-N 3.3Å; H298-S300 VanDerWaalsContact C-N 3.26Å; H298-S300 PolarHBondContact O-N 3.43Å; H298-Q301 WeakPolarHBondContact O-CA 3.04Å; H298-Q301 WeakPolarHBondContact O-CB 3.3Å; H298-Q301 PolarHBondContact O-N 2.83Å |
| 299 | L | 92.9 | Very high | 92.6 | Very high | 14 Ų | 14 | 51 Ų | 51 | 7% | 0.073 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.8 | -28.1 | -177.8 | -63.6 | -177.1 | 0 | 0 | 0 | 112.9 | I240 L271 W275 I295 E296 Q301 L302 | I240-L299 HydrophobicContact CD1-CD1 4.37Å; I240-L299 HydrophobicContact CD1-CD2 3.67Å; I240-L299 HydrophobicContact CD1-CG 4.04Å; I240-L299 HydrophobicContact CG1-CD2 4.23Å; L271-L299 HydrophobicContact CB-CD2 3.79Å; L271-L299 HydrophobicContact CD1-CD2 4.13Å; L271-L299 HydrophobicContact CG-CD2 4.37Å; W275-L299 HydrophobicContact CB-CD1 3.74Å; W275-L299 HydrophobicContact CD2-CD1 3.57Å; W275-L299 HydrophobicContact CE3-CD1 3.59Å; W275-L299 HydrophobicContact CG-CD1 3.61Å; W275-L299 HydrophobicContact CZ3-CD1 4.48Å; I295-L299 HydrophobicContact CG2-CD1 3.66Å; I295-L299 HydrophobicContact CG2-CG 4.02Å; I295-L299 WeakPolarHBondContact O-CG 3.32Å; I295-L299 PolarHBondContact O-N 2.82Å; E296-L299 PolarHBondContact O-N 3.39Å; L299-Q301 PolarHBondContact O-N 3.04Å; L299-L302 HydrophobicContact CD2-CD1 3.49Å; L299-L302 VanDerWaalsContact CD2-CD1 3.49Å; L299-L302 HydrophobicContact CD2-CG 4.32Å; L299-L302 WeakPolarHBondContact O-CB 3.49Å; L299-L302 PolarHBondContact O-N 3.36Å |
| 300 | S | 91.2 | Very high | 92.5 | Very high | 99 Ų | 99 | 54.6 Ų | 54.6 | 69% | 0.692 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -15.3 | 171.1 | -57.4 | 0 | 0 | 0 | 0 | 113.8 | E296 H298 | E296-S300 WeakPolarHBondContact O-CB 3.32Å; E296-S300 PolarHBondContact O-N 3.12Å; E296-S300 PolarHBondContact O-OG 2.92Å; H298-S300 VanDerWaalsContact C-N 3.26Å; H298-S300 PolarHBondContact O-N 3.43Å |
| 301 | Q | 90.2 | Very high | 92.3 | Very high | 130 Ų | 130 | 51.2 Ų | 51.2 | 61% | 0.607 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 1.3 | 175.1 | -69.4 | 171.5 | 77.7 | 0 | 0 | 112.8 | W244 S297 H298 L299 | W244-Q301 HydrophobicContact CH2-CB 3.83Å; W244-Q301 HydrophobicContact CZ2-CB 4.01Å; S297-Q301 WeakPolarHBondContact O-CG 3.29Å; S297-Q301 PolarHBondContact O-NE2 3.49Å; H298-Q301 WeakPolarHBondContact O-CA 3.04Å; H298-Q301 WeakPolarHBondContact O-CB 3.3Å; H298-Q301 PolarHBondContact O-N 2.83Å; L299-Q301 PolarHBondContact O-N 3.04Å |
| 302 | L | 87.7 | Confident | 92.2 | Very high | 13 Ų | 13 | 54.2 Ų | 54.2 | 7% | 0.068 | 30% | 0.303 | C | S | . | . | trans | -76.3 | 128.8 | 176.9 | -73.8 | 178.3 | 0 | 0 | 0 | 111.9 | W244 L247 L271 K272 L299 | W244-L302 HydrophobicContact CE3-CD2 4.4Å; W244-L302 HydrophobicContact CH2-CD2 4.05Å; W244-L302 HydrophobicContact CH2-CG 4.43Å; W244-L302 HydrophobicContact CZ3-CD2 3.56Å; W244-L302 HydrophobicContact CZ3-CG 4.11Å; L247-L302 HydrophobicContact CB-CD2 3.75Å; L271-L302 HydrophobicContact CB-CD1 4.41Å; L271-L302 HydrophobicContact CD1-CD1 4.5Å; K272-L302 PolarHBondContact NZ-O 3.15Å; K272-L302 VanDerWaalsContact NZ-O 3.13Å; L299-L302 HydrophobicContact CD2-CD1 3.49Å; L299-L302 VanDerWaalsContact CD2-CD1 3.49Å; L299-L302 HydrophobicContact CD2-CG 4.32Å; L299-L302 WeakPolarHBondContact O-CB 3.49Å; L299-L302 PolarHBondContact O-N 3.36Å | ||
| 303 | P | 78.6 | Confident | 91.8 | Very high | 93 Ų | 93 | 59.1 Ų | 59.1 | 60% | 0.604 | 33% | 0.331 | S | S | * | . | trans | -59.8 | 0 | 167.9 | 28.8 | -34.3 | 0 | 0 | 0 | 111 | K272 | K272-P303 PolarHBondContact NZ-O 2.73Å; K272-P303 PolarHBondContact NZ-OXT 3.16Å |
Retrieved 303 of 303 residues in 167 ms
(Link to these results)