| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.1 | Very low | 38.8 | Very low | 244 Ų | 244 | 176.6 Ų | 176.6 | 100% | 1.202 | 86% | 0.858 | S | S | * | * | 0 | 136 | 0 | -78.4 | -63.2 | -84.3 | 0 | 0 | 108.2 | |||||
| 2 | G | 36 | Very low | 38.7 | Very low | 71 Ų | 71 | 171 Ų | 171 | 73% | 0.732 | 85% | 0.85 | S | S | * | * | trans | 97.6 | 145.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 3 | P | 54.3 | Low | 38.6 | Very low | 130 Ų | 130 | 167.2 Ų | 167.2 | 84% | 0.844 | 85% | 0.845 | S | S | * | * | -132.8 | 176.7 | -120.5 | 39 | -23.2 | 0 | 0 | 0 | 116.8 | |||||
| 4 | F | 41.8 | Very low | 38.7 | Very low | 190 Ų | 190 | 168.4 Ų | 168.4 | 83% | 0.833 | 85% | 0.846 | S | S | * | * | trans | -58.6 | 154.6 | 167.1 | -80.3 | -112.3 | 0 | 0 | 0 | 113.2 | ||||
| 5 | Q | 43.5 | Very low | 38.5 | Very low | 199 Ų | 199 | 170.9 Ų | 170.9 | 93% | 0.93 | 85% | 0.85 | S | S | * | * | trans | -159 | 144.5 | 131.7 | -114.1 | 162 | 5.3 | 0 | 0 | 112.6 | ||||
| 6 | E | 41.8 | Very low | 38.2 | Very low | 176 Ų | 176 | 164.6 Ų | 164.6 | 82% | 0.822 | 84% | 0.842 | S | S | * | * | trans | -91.5 | 161.9 | 179.2 | -57.6 | 158.4 | 102.9 | 0 | 0 | 111.6 | ||||
| 7 | Y | 31.8 | Very low | 38 | Very low | 217 Ų | 217 | 161.6 Ų | 161.6 | 85% | 0.851 | 84% | 0.839 | S | S | * | * | -164.5 | 134 | 127.8 | 58.7 | -91.8 | 0 | 0 | 0 | 114.7 | |||||
| 8 | E | 33.6 | Very low | 38.2 | Very low | 141 Ų | 141 | 159.3 Ų | 159.3 | 66% | 0.659 | 84% | 0.836 | S | S | * | * | trans | 43 | 100.6 | 139.3 | -71.1 | -86.1 | 105.8 | 0 | 0 | 120.4 | K10 | E8-K10 WeakPolarHBondContact OE2-CE 3.49Š| ||
| 9 | E | 29 | Very low | 38.2 | Very low | 194 Ų | 194 | 163.6 Ų | 163.6 | 91% | 0.907 | 84% | 0.84 | S | S | * | * | trans | -98.2 | 123.1 | 149.7 | -176.3 | 174.9 | -163.3 | 0 | 0 | 110.4 | K11 | E9-K11 PolarHBondContact O-N 3.29Š| ||
| 10 | K | 34.7 | Very low | 38.1 | Very low | 169 Ų | 169 | 161.2 Ų | 161.2 | 74% | 0.735 | 84% | 0.838 | S | S | * | * | trans | -89.3 | 111.6 | -175.9 | -67 | -166 | 174.6 | -171.9 | 0 | 112.7 | E8 | E8-K10 WeakPolarHBondContact OE2-CE 3.49Š| ||
| 11 | K | 40.8 | Very low | 38.6 | Very low | 212 Ų | 212 | 164.7 Ų | 164.7 | 92% | 0.922 | 84% | 0.84 | S | S | * | * | trans | -54.8 | 138.6 | 170.8 | -66.8 | -179.2 | 178.4 | 178.2 | 0 | 111.8 | E9 | E9-K11 PolarHBondContact O-N 3.29Š| ||
| 12 | S | 36.7 | Very low | 39 | Very low | 109 Ų | 109 | 160.4 Ų | 160.4 | 76% | 0.762 | 82% | 0.821 | S | S | * | * | trans | -138.8 | 149.7 | 159.7 | 62.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 13 | P | 38.2 | Very low | 39.1 | Very low | 122 Ų | 122 | 162.3 Ų | 162.3 | 79% | 0.792 | 82% | 0.82 | S | S | * | * | trans | -85.4 | 129.2 | -158.6 | 31 | -35.2 | 0 | 0 | 0 | 114.9 | ||||
| 14 | E | 39.6 | Very low | 38.5 | Very low | 183 Ų | 183 | 167.4 Ų | 167.4 | 86% | 0.855 | 82% | 0.822 | S | S | * | * | trans | 5.7 | 121.7 | 141.7 | -171.1 | 171.9 | -160.5 | 0 | 0 | 118.3 | ||||
| 15 | K | 36.3 | Very low | 38.2 | Very low | 207 Ų | 207 | 166.5 Ų | 166.5 | 90% | 0.9 | 83% | 0.825 | S | S | * | * | trans | -132.5 | 123.6 | 152 | -84.7 | -174.6 | 174.8 | 174.6 | 0 | 109.6 | ||||
| 16 | G | 32.6 | Very low | 38 | Very low | 70 Ų | 70 | 162.3 Ų | 162.3 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | trans | -66.1 | 150.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 17 | S | 36.4 | Very low | 37.8 | Very low | 114 Ų | 114 | 162 Ų | 162 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | trans | -76.1 | 128.9 | 177.7 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | R19 | S17-R19 PolarHBondContact O-N 3.01Š| ||
| 18 | P | 40.6 | Very low | 38 | Very low | 120 Ų | 120 | 159 Ų | 159 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | trans | -73.4 | 113.3 | 176.1 | 29.4 | -32.7 | 0 | 0 | 0 | 110.9 | ||||
| 19 | R | 37.9 | Very low | 38.3 | Very low | 241 Ų | 241 | 158.1 Ų | 158.1 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | trans | -59 | 140.8 | 175.4 | -80 | 178.2 | 166.6 | 159.5 | -5.3 | 111.8 | S17 | S17-R19 PolarHBondContact O-N 3.01Š| ||
| 20 | S | 37 | Very low | 38.3 | Very low | 114 Ų | 114 | 158.8 Ų | 158.8 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | trans | -53 | 140.4 | 175.5 | -178.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 21 | R | 48.1 | Very low | 38.3 | Very low | 235 Ų | 235 | 162.1 Ų | 162.1 | 89% | 0.887 | 82% | 0.824 | S | S | * | * | trans | -120 | 127.3 | 162.4 | -79.7 | -173.8 | 173.4 | -178.3 | -1.6 | 109 | ||||
| 22 | I | 47.6 | Very low | 37.9 | Very low | 155 Ų | 155 | 160 Ų | 160 | 80% | 0.795 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 131.1 | 173.1 | -59.2 | 169.8 | 0 | 0 | 0 | 108.6 | R24 | I22-R24 PolarHBondContact O-N 3.24Š|
| 23 | P | 39.3 | Very low | 37.5 | Very low | 111 Ų | 111 | 163.8 Ų | 163.8 | 72% | 0.721 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 128.9 | 173.3 | -18.4 | 31.7 | 0 | 0 | 0 | 111.1 | ||
| 24 | R | 41.8 | Very low | 37.1 | Very low | 236 Ų | 236 | 165.1 Ų | 165.1 | 89% | 0.891 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 125.9 | 162.2 | -75.7 | -176.6 | 168.8 | 129.5 | -4.4 | 108.5 | I22 V26 | I22-R24 PolarHBondContact O-N 3.24Å; R24-V26 PolarHBondContact O-N 3.46Å |
| 25 | L | 35.3 | Very low | 36.7 | Very low | 171 Ų | 171 | 165.6 Ų | 165.6 | 90% | 0.895 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 119.4 | 170.6 | -69.5 | 172.4 | 0 | 0 | 0 | 108.9 | ||
| 26 | V | 38.8 | Very low | 36.3 | Very low | 112 Ų | 112 | 159.6 Ų | 159.6 | 68% | 0.679 | 82% | 0.821 | S | S | * | * | trans | -97.1 | 111.5 | 172 | 177.8 | 0 | 0 | 0 | 0 | 107.9 | R24 H28 | R24-V26 PolarHBondContact O-N 3.46Å; V26-H28 PolarHBondContact O-N 3.27Å | ||
| 27 | L | 37.7 | Very low | 36.2 | Very low | 170 Ų | 170 | 161.4 Ų | 161.4 | 89% | 0.89 | 82% | 0.823 | S | S | * | * | trans | -77.7 | 106.9 | 172.5 | -82.9 | 162.5 | 0 | 0 | 0 | 109.6 | ||||
| 28 | H | 36.5 | Very low | 36.3 | Very low | 153 Ų | 153 | 161.8 Ų | 161.8 | 71% | 0.708 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 129.9 | 169.3 | -83 | -74.8 | 0 | 0 | 0 | 110.6 | V26 F30 | V26-H28 PolarHBondContact O-N 3.27Å; H28-F30 PolarHBondContact O-N 3.07Å |
| 29 | P | 40 | Very low | 35.7 | Very low | 123 Ų | 123 | 163.7 Ų | 163.7 | 80% | 0.799 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 122.4 | 169.5 | -22.1 | 33.8 | 0 | 0 | 0 | 111.2 | R31 | P29-R31 PolarHBondContact O-N 2.97Š|
| 30 | F | 29.5 | Very low | 35.3 | Very low | 208 Ų | 208 | 157.9 Ų | 157.9 | 91% | 0.912 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 119.7 | 170.5 | -85.3 | -100.4 | 0 | 0 | 0 | 109.8 | H28 | H28-F30 PolarHBondContact O-N 3.07Š|
| 31 | R | 32.7 | Very low | 34.9 | Very low | 238 Ų | 238 | 159.6 Ų | 159.6 | 90% | 0.898 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 120.5 | 159.1 | -84 | -164 | 173.5 | -131.2 | -1.1 | 109.2 | P29 | P29-R31 PolarHBondContact O-N 2.97Š|
| 32 | L | 32.5 | Very low | 33.9 | Very low | 169 Ų | 169 | 153.6 Ų | 153.6 | 89% | 0.885 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 143.5 | 161.3 | -140.6 | 74.3 | 0 | 0 | 0 | 108.7 | ||
| 33 | K | 28.5 | Very low | 32.9 | Very low | 188 Ų | 188 | 154.4 Ų | 154.4 | 82% | 0.817 | 82% | 0.821 | S | S | * | * | trans | -133.2 | 108.3 | -178.2 | -176.6 | 173.3 | -177.8 | 173.8 | 0 | 109.9 | ||||
| 34 | D | 30.5 | Very low | 32.2 | Very low | 149 Ų | 149 | 157 Ų | 157 | 80% | 0.797 | 83% | 0.828 | S | S | * | * | trans | -58.2 | 145.6 | -179.2 | -67.9 | -61.4 | 0 | 0 | 0 | 113.1 | ||||
| 35 | K | 31.9 | Very low | 31.5 | Very low | 194 Ų | 194 | 151.5 Ų | 151.5 | 84% | 0.843 | 83% | 0.826 | S | S | * | * | trans | -108 | 64.3 | -175.1 | -77.9 | -76.6 | -170.9 | 165.3 | 0 | 111 | ||||
| 36 | G | 26.7 | Very low | 31.6 | Very low | 80 Ų | 80 | 152 Ų | 152 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | trans | -65.2 | 129.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 37 | S | 30 | Very low | 31.3 | Very low | 108 Ų | 108 | 156.2 Ų | 156.2 | 76% | 0.755 | 84% | 0.836 | S | S | * | * | trans | -126.8 | 155.6 | 173.8 | -69.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 38 | P | 38.7 | Very low | 31.2 | Very low | 122 Ų | 122 | 156.1 Ų | 156.1 | 79% | 0.792 | 83% | 0.831 | S | S | * | * | trans | -92.9 | 156.1 | -152.5 | 35 | -37.2 | 0 | 0 | 0 | 116.7 | ||||
| 39 | L | 29.4 | Very low | 30.9 | Very low | 161 Ų | 161 | 152 Ų | 152 | 84% | 0.843 | 83% | 0.83 | S | S | * | * | trans | 1.7 | 142.5 | 153.3 | -68.2 | 161.3 | 0 | 0 | 0 | 120.6 | ||||
| 40 | S | 28.4 | Very low | 30.6 | Very low | 119 Ų | 119 | 154.2 Ų | 154.2 | 83% | 0.832 | 83% | 0.827 | S | S | * | * | trans | -150.1 | 157.7 | 148.9 | -70.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 41 | D | 28.4 | Very low | 30.6 | Very low | 149 Ų | 149 | 152 Ų | 152 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | trans | -93.7 | 153.6 | -152.2 | -71.8 | -70.9 | 0 | 0 | 0 | 118.3 | ||||
| 42 | S | 27 | Very low | 30.4 | Very low | 110 Ų | 110 | 145.7 Ų | 145.7 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | 57.2 | 122.3 | 143.6 | -63.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 43 | L | 26.8 | Very low | 30.3 | Very low | 172 Ų | 172 | 144 Ų | 144 | 90% | 0.901 | 80% | 0.802 | S | S | * | * | -159.1 | 169.2 | 116 | -109.3 | 166.2 | 0 | 0 | 0 | 112.1 | |||||
| 44 | L | 25 | Very low | 30.5 | Very low | 165 Ų | 165 | 142.5 Ų | 142.5 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -97.5 | 146.1 | -166.9 | -61.7 | 158.8 | 0 | 0 | 0 | 112.9 | ||||
| 45 | S | 28.1 | Very low | 30.6 | Very low | 120 Ų | 120 | 140.2 Ų | 140.2 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | -170.8 | 159.6 | 130.9 | -160.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 46 | E | 37 | Very low | 30.6 | Very low | 182 Ų | 182 | 134.9 Ų | 134.9 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | trans | -95.5 | 151.6 | 171.7 | -60.3 | 152.6 | 103 | 0 | 0 | 110.9 | ||||
| 47 | E | 32.7 | Very low | 30.8 | Very low | 201 Ų | 201 | 137.6 Ų | 137.6 | 94% | 0.939 | 78% | 0.78 | S | S | * | * | -171.5 | 179.9 | 122.5 | -130.9 | -168.2 | 123.6 | 0 | 0 | 112.7 | |||||
| 48 | E | 34.8 | Very low | 30.9 | Very low | 168 Ų | 168 | 139.3 Ų | 139.3 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -129.1 | 143.8 | -166.9 | -175.5 | -170.1 | 135.1 | 0 | 0 | 113.5 | ||||
| 49 | G | 30.3 | Very low | 30.5 | Very low | 66 Ų | 66 | 138.9 Ų | 138.9 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | trans | 88.3 | -178.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 50 | K | 34 | Very low | 30.7 | Very low | 169 Ų | 169 | 140.3 Ų | 140.3 | 74% | 0.735 | 78% | 0.775 | S | S | * | * | cis | -166.8 | 144.6 | -18.6 | -119.1 | 174.1 | -172.8 | 166.1 | 0 | 109.5 | ||||
| 51 | E | 29.3 | Very low | 31.1 | Very low | 162 Ų | 162 | 145.9 Ų | 145.9 | 76% | 0.757 | 78% | 0.778 | S | S | * | * | trans | 45.7 | 141.5 | 155.6 | -75.7 | 170.9 | 112.8 | 0 | 0 | 123.1 | ||||
| 52 | C | 29 | Very low | 31.4 | Very low | 105 Ų | 105 | 144.6 Ų | 144.6 | 71% | 0.709 | 78% | 0.776 | S | S | * | * | trans | 68.6 | 156.3 | 144.7 | -71.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 53 | D | 29.7 | Very low | 31.8 | Very low | 134 Ų | 134 | 147.7 Ų | 147.7 | 72% | 0.717 | 78% | 0.782 | S | S | * | * | cis | -154.3 | -172.5 | -15.5 | -133.9 | -52.1 | 0 | 0 | 0 | 113 | ||||
| 54 | I | 33 | Very low | 32 | Very low | 156 Ų | 156 | 143.8 Ų | 143.8 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | trans | -65.3 | 150.1 | 177.2 | -64.5 | 156.1 | 0 | 0 | 0 | 114.4 | ||||
| 55 | S | 32.7 | Very low | 32.4 | Very low | 102 Ų | 102 | 141.5 Ų | 141.5 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | trans | 143.8 | 126.3 | 141.8 | -156.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 56 | S | 32.2 | Very low | 32.6 | Very low | 81 Ų | 81 | 143.6 Ų | 143.6 | 57% | 0.566 | 76% | 0.764 | S | S | * | * | 50.1 | 126.2 | 103.6 | -143.8 | 0 | 0 | 0 | 0 | 114.6 | H58 | S56-H58 PolarHBondContact OG-CE1 3.26Å; S56-H58 PolarHBondContact OG-ND1 3.27Å | |||
| 57 | D | 29.9 | Very low | 32.4 | Very low | 138 Ų | 138 | 140.1 Ų | 140.1 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | -157.8 | -170.8 | 70.9 | -120.2 | 30.8 | 0 | 0 | 0 | 115.8 | |||||
| 58 | H | 32.2 | Very low | 32.5 | Very low | 143 Ų | 143 | 139.9 Ų | 139.9 | 66% | 0.662 | 76% | 0.756 | S | S | * | * | trans | -146.4 | 123.1 | -152.7 | 36.8 | -96.4 | 0 | 0 | 0 | 115.9 | S56 | S56-H58 PolarHBondContact OG-CE1 3.26Å; S56-H58 PolarHBondContact OG-ND1 3.27Å | ||
| 59 | S | 30.8 | Very low | 32.6 | Very low | 114 Ų | 114 | 138 Ų | 138 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | trans | -165.7 | 136.2 | 164.5 | -169.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 60 | K | 34.2 | Very low | 33 | Very low | 191 Ų | 191 | 139.6 Ų | 139.6 | 83% | 0.83 | 76% | 0.76 | S | S | * | * | cis | 86.5 | 87.2 | 22.7 | -66 | -169.5 | 175.5 | 176.6 | 0 | 118.1 | ||||
| 61 | R | 36.1 | Very low | 33 | Very low | 235 Ų | 235 | 139.1 Ų | 139.1 | 89% | 0.887 | 77% | 0.766 | S | S | * | * | trans | 149.2 | 130.9 | 137 | -83.2 | 180 | -176.7 | 166.7 | 5.1 | 110.5 | ||||
| 62 | T | 34.9 | Very low | 33.1 | Very low | 122 Ų | 122 | 138.2 Ų | 138.2 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | cis | 107.4 | 97.8 | 27.3 | 59.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 63 | I | 35.9 | Very low | 33.6 | Very low | 175 Ų | 175 | 139.4 Ų | 139.4 | 90% | 0.897 | 77% | 0.771 | S | S | * | * | trans | -157.8 | 146.9 | 164.8 | -48.9 | 179.6 | 0 | 0 | 0 | 107.5 | ||||
| 64 | S | 30.4 | Very low | 33.9 | Very low | 91 Ų | 91 | 136.6 Ų | 136.6 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | cis | -162.7 | 139.5 | -42.3 | -165.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 65 | T | 32.5 | Very low | 34.4 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 72% | 0.718 | 77% | 0.772 | S | S | * | * | trans | 33.3 | 109.2 | 148.4 | 55.5 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 66 | N | 32.1 | Very low | 34.7 | Very low | 164 Ų | 164 | 136 Ų | 136 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | 175.2 | 151.2 | 128.1 | -94.4 | -16.2 | 0 | 0 | 0 | 109.6 | |||||
| 67 | S | 34.3 | Very low | 34.7 | Very low | 109 Ų | 109 | 137.7 Ų | 137.7 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | cis | -153.7 | 173.7 | -5.3 | 50 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 68 | F | 35.2 | Very low | 35 | Very low | 195 Ų | 195 | 135.7 Ų | 135.7 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | trans | -63.2 | 148.2 | -175.2 | -87.5 | -116.6 | 0 | 0 | 0 | 116.2 | ||||
| 69 | C | 35.1 | Very low | 35 | Very low | 130 Ų | 130 | 137.8 Ų | 137.8 | 88% | 0.878 | 79% | 0.793 | S | S | * | * | -170.8 | 169.2 | 115.3 | -99.8 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 70 | S | 39.8 | Very low | 35.2 | Very low | 98 Ų | 98 | 137.8 Ų | 137.8 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | trans | -131.8 | 170.1 | -171.1 | -55.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 71 | D | 33.4 | Very low | 35 | Very low | 159 Ų | 159 | 134.3 Ų | 134.3 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | 63.1 | 157.3 | 175.7 | -64.3 | -34 | 0 | 0 | 0 | 115.7 | ||||
| 72 | D | 31.9 | Very low | 34.8 | Very low | 144 Ų | 144 | 128.5 Ų | 128.5 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | cis | -140.9 | 173.8 | 21.1 | -164.3 | -1.4 | 0 | 0 | 0 | 112.6 | ||||
| 73 | T | 40.3 | Very low | 35.6 | Very low | 129 Ų | 129 | 128.1 Ų | 128.1 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -88.2 | 158.1 | -178.5 | 59.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 74 | G | 35.4 | Very low | 35.4 | Very low | 76 Ų | 76 | 124.8 Ų | 124.8 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | trans | -168.3 | 86.1 | 180 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 75 | C | 42.7 | Very low | 35.5 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | -80.2 | 154.4 | 169.6 | -60 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 76 | P | 40 | Very low | 35.7 | Very low | 132 Ų | 132 | 129.6 Ų | 129.6 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | trans | -104.9 | 101.2 | 148.5 | 33 | -25.1 | 0 | 0 | 0 | 109.9 | ||||
| 77 | T | 32.2 | Very low | 36.1 | Very low | 116 Ų | 116 | 128 Ų | 128 | 71% | 0.712 | 78% | 0.783 | S | S | * | * | trans | -101.3 | 116 | 176 | -60.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 78 | S | 36.3 | Very low | 35.9 | Very low | 95 Ų | 95 | 128.9 Ų | 128.9 | 66% | 0.664 | 79% | 0.789 | S | S | * | * | trans | 38.3 | 137.7 | 148.5 | -51.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 79 | Q | 32.4 | Very low | 35.8 | Very low | 188 Ų | 188 | 122.6 Ų | 122.6 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | -150.5 | 110.8 | 123.4 | -122.4 | 164.8 | 85 | 0 | 0 | 113.9 | V81 | Q79-V81 HydrophobicContact CG-CG2 4.18Š| |||
| 80 | S | 33.6 | Very low | 35.5 | Very low | 113 Ų | 113 | 122.1 Ų | 122.1 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | -108.3 | 121.7 | 163.6 | 52.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 81 | V | 30.8 | Very low | 35.1 | Very low | 119 Ų | 119 | 123.9 Ų | 123.9 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | trans | -139 | 132.7 | 177 | -174.5 | 0 | 0 | 0 | 0 | 112 | Q79 | Q79-V81 HydrophobicContact CG-CG2 4.18Š| ||
| 82 | S | 31.8 | Very low | 34.9 | Very low | 113 Ų | 113 | 126.7 Ų | 126.7 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | -160.5 | 154.7 | 161.1 | -77.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 83 | P | 51.9 | Low | 34.9 | Very low | 113 Ų | 113 | 125.1 Ų | 125.1 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | cis | -135.6 | -172.7 | -29.9 | 38.8 | -22.3 | 0 | 0 | 0 | 113.2 | ||||
| 84 | S | 30.4 | Very low | 34.5 | Very low | 106 Ų | 106 | 123.4 Ų | 123.4 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | trans | 96 | 151.1 | 147.2 | 85.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 85 | K | 32.9 | Very low | 34.3 | Very low | 185 Ų | 185 | 128.6 Ų | 128.6 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 74.3 | 95.3 | 158.4 | -70.8 | -178.5 | 177.5 | 178.3 | 0 | 122 | ||||
| 86 | T | 36.3 | Very low | 33.6 | Very low | 124 Ų | 124 | 127.6 Ų | 127.6 | 76% | 0.761 | 78% | 0.776 | S | S | * | * | 32.2 | 135.8 | 117.7 | 58.6 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 87 | P | 41.4 | Very low | 33.4 | Very low | 130 Ų | 130 | 127.2 Ų | 127.2 | 84% | 0.844 | 78% | 0.776 | S | S | * | * | trans | -100.6 | 156.8 | 139.6 | 36.2 | -30.4 | 0 | 0 | 0 | 113.1 | ||||
| 88 | S | 30.9 | Very low | 34 | Very low | 128 Ų | 128 | 126.9 Ų | 126.9 | 90% | 0.895 | 78% | 0.776 | S | S | * | * | trans | -130.9 | 150.3 | 163.3 | 179.5 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 89 | G | 31.7 | Very low | 33.6 | Very low | 62 Ų | 62 | 128.8 Ų | 128.8 | 64% | 0.639 | 78% | 0.784 | S | S | * | * | cis | 179.6 | -161.4 | 2.2 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 90 | S | 28.5 | Very low | 33.7 | Very low | 120 Ų | 120 | 127.5 Ų | 127.5 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | trans | 68.5 | 144.3 | 171.7 | -93 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 91 | E | 31.3 | Very low | 34.1 | Very low | 136 Ų | 136 | 127.6 Ų | 127.6 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | cis | -146.3 | 172.1 | -3.4 | -53.6 | -164.7 | 159.5 | 0 | 0 | 112.9 | ||||
| 92 | R | 31.1 | Very low | 34 | Very low | 218 Ų | 218 | 127 Ų | 127 | 82% | 0.823 | 77% | 0.768 | S | S | * | * | trans | 75.3 | 106.7 | 150.8 | -73 | 163.9 | -150.8 | -87.3 | -12.3 | 121.9 | ||||
| 93 | S | 31.3 | Very low | 34.1 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -27.1 | 142.5 | 148.7 | -179.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 94 | A | 31.6 | Very low | 33.4 | Very low | 93 Ų | 93 | 134 Ų | 134 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | -159.5 | 158.7 | 125.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 95 | H | 31.8 | Very low | 33.5 | Very low | 185 Ų | 185 | 133.7 Ų | 133.7 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | trans | -76.9 | 146.1 | 175.3 | -57 | -109.7 | 0 | 0 | 0 | 112.2 | ||||
| 96 | A | 26.5 | Very low | 33.6 | Very low | 93 Ų | 93 | 135 Ų | 135 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | 167.5 | 136 | 120.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 97 | S | 36.2 | Very low | 33.6 | Very low | 123 Ų | 123 | 134 Ų | 134 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | -107.4 | 140.5 | 147.4 | -61.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 98 | P | 45.4 | Very low | 33.6 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | -150.8 | 138 | 118.7 | 33.4 | -14.8 | 0 | 0 | 0 | 116.8 | |||||
| 99 | T | 27 | Very low | 33.9 | Very low | 135 Ų | 135 | 140 Ų | 140 | 83% | 0.828 | 77% | 0.771 | S | S | * | * | 65.5 | 122 | 122.8 | -48.1 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 100 | M | 34.3 | Very low | 33.8 | Very low | 161 Ų | 161 | 143.4 Ų | 143.4 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | trans | -47 | 159.1 | 157.1 | -72.6 | -79.7 | -81.4 | 0 | 0 | 113.6 | ||||
| 101 | P | 42.1 | Very low | 34.1 | Very low | 115 Ų | 115 | 147.9 Ų | 147.9 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | -161.7 | 167.1 | 58.3 | 43.8 | -21.2 | 0 | 0 | 0 | 121.7 | |||||
| 102 | E | 30.4 | Very low | 34.1 | Very low | 107 Ų | 107 | 147.2 Ų | 147.2 | 50% | 0.5 | 78% | 0.782 | S | S | . | * | trans | 23.6 | 126.1 | 137.5 | -162.8 | -149.3 | -131.2 | 0 | 0 | 122.2 | K104 | E102-K104 WeakPolarHBondContact OE1-CE 3.43Å; E102-K104 IonicContact OE1-NZ 2.69Å; E102-K104 PolarHBondContact OE1-NZ 2.97Å; E102-K104 WeakPolarHBondContact OE2-CE 3.46Å; E102-K104 IonicContact OE2-NZ 3.82Å; E102-K104 PolarHBondContact OE2-NZ 3.19Å | ||
| 103 | R | 34.1 | Very low | 34.2 | Very low | 222 Ų | 222 | 142.6 Ų | 142.6 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | trans | 168.3 | 158.6 | 130.5 | -91.3 | 146.6 | -164.6 | -150.4 | 6.9 | 112.9 | ||||
| 104 | K | 35.5 | Very low | 34.4 | Very low | 149 Ų | 149 | 140.9 Ų | 140.9 | 65% | 0.648 | 77% | 0.771 | S | S | * | * | cis | -176 | 115.9 | -39.7 | -116.9 | 172.4 | -170.9 | 153 | 0 | 111 | E102 | E102-K104 WeakPolarHBondContact OE1-CE 3.43Å; E102-K104 IonicContact OE1-NZ 2.69Å; E102-K104 PolarHBondContact OE1-NZ 2.97Å; E102-K104 WeakPolarHBondContact OE2-CE 3.46Å; E102-K104 IonicContact OE2-NZ 3.82Å; E102-K104 PolarHBondContact OE2-NZ 3.19Å | ||
| 105 | A | 33.5 | Very low | 34.4 | Very low | 101 Ų | 101 | 144.8 Ų | 144.8 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | trans | -173.5 | 162.2 | 161.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 106 | K | 34.1 | Very low | 34.4 | Very low | 211 Ų | 211 | 141 Ų | 141 | 92% | 0.917 | 77% | 0.768 | S | S | * | * | -176.4 | 84.3 | -50.9 | -116.7 | -174.8 | 177.7 | 179.5 | 0 | 111.5 | |||||
| 107 | A | 37.4 | Very low | 34.5 | Very low | 103 Ų | 103 | 140.3 Ų | 140.3 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | trans | -166.3 | 116.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 108 | K | 41.3 | Very low | 34.2 | Very low | 181 Ų | 181 | 138.1 Ų | 138.1 | 79% | 0.787 | 77% | 0.766 | S | S | * | * | cis | 102.2 | 74.2 | 31.6 | -161.3 | -171.1 | 173.3 | -172.4 | 0 | 114.5 | ||||
| 109 | R | 37.3 | Very low | 33.5 | Very low | 205 Ų | 205 | 142.1 Ų | 142.1 | 77% | 0.774 | 78% | 0.775 | S | S | * | * | 82.4 | 127.5 | 125.7 | -172.2 | -167.6 | -63.9 | -165.4 | -2.7 | 120.1 | |||||
| 110 | V | 29.2 | Very low | 33.7 | Very low | 133 Ų | 133 | 139.2 Ų | 139.2 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | trans | 161.6 | 105.4 | 137.5 | 154 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 111 | R | 33.7 | Very low | 33.6 | Very low | 214 Ų | 214 | 143.5 Ų | 143.5 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | cis | 64.7 | 109.6 | 49.7 | -145.4 | -174.3 | -160.8 | -175.2 | 7 | 111.6 | ||||
| 112 | V | 32.4 | Very low | 33.1 | Very low | 121 Ų | 121 | 142 Ų | 142 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | -167.7 | 123.9 | 84.9 | 151.2 | 0 | 0 | 0 | 0 | 105.8 | |||||
| 113 | V | 33.9 | Very low | 33.3 | Very low | 122 Ų | 122 | 141.6 Ų | 141.6 | 74% | 0.739 | 79% | 0.792 | S | S | * | * | 62.3 | 133.4 | 88 | 167.9 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 114 | A | 35 | Very low | 34.2 | Very low | 74 Ų | 74 | 136.3 Ų | 136.3 | 61% | 0.612 | 79% | 0.787 | S | S | * | * | cis | -142 | -170.2 | 19.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 115 | E | 30.6 | Very low | 34 | Very low | 176 Ų | 176 | 140.5 Ų | 140.5 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | cis | -155.5 | -161.1 | -1.8 | -149.3 | 130 | -129.7 | 0 | 0 | 111.5 | ||||
| 116 | S | 32.7 | Very low | 34 | Very low | 106 Ų | 106 | 143.5 Ų | 143.5 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | -46 | 158 | 174.8 | 53.9 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 117 | G | 28.8 | Very low | 33.9 | Very low | 77 Ų | 77 | 141.6 Ų | 141.6 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | cis | 97.2 | 131.3 | 21.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 118 | G | 29.9 | Very low | 33.8 | Very low | 78 Ų | 78 | 146 Ų | 146 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | 124 | 84.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 119 | E | 29.6 | Very low | 33.5 | Very low | 193 Ų | 193 | 143.7 Ų | 143.7 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | 29.5 | 155.9 | 129.1 | -143.6 | 168.6 | 135.1 | 0 | 0 | 124.6 | |||||
| 120 | A | 31.3 | Very low | 33.2 | Very low | 74 Ų | 74 | 139.9 Ų | 139.9 | 61% | 0.612 | 77% | 0.766 | S | S | * | * | trans | 81.1 | 112.4 | 150.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 121 | R | 32.7 | Very low | 33.7 | Very low | 252 Ų | 252 | 143.8 Ų | 143.8 | 95% | 0.951 | 77% | 0.766 | S | S | * | * | trans | 47.9 | 124.6 | 131.1 | -57.7 | -179.9 | -176 | -96.6 | 2.1 | 119.9 | ||||
| 122 | G | 32.1 | Very low | 33.5 | Very low | 83 Ų | 83 | 139.2 Ų | 139.2 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | trans | 177.5 | 112.6 | 157.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 123 | A | 33.5 | Very low | 33.6 | Very low | 98 Ų | 98 | 138 Ų | 138 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | trans | -106 | -164.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 124 | P | 54.3 | Low | 33.6 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | -118.3 | 164.5 | -93.7 | 37.8 | -25.6 | 0 | 0 | 0 | 113.3 | |||||
| 125 | R | 31.7 | Very low | 33.7 | Very low | 237 Ų | 237 | 145.9 Ų | 145.9 | 89% | 0.894 | 78% | 0.78 | S | S | * | * | trans | -162 | 118.4 | 157.7 | -106.4 | 136.6 | -163.4 | -138.4 | 3.1 | 116.9 | ||||
| 126 | H | 31.9 | Very low | 34.1 | Very low | 163 Ų | 163 | 141.4 Ų | 141.4 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | 45.2 | 127.6 | 128.1 | -86.3 | -56.1 | 0 | 0 | 0 | 124.9 | |||||
| 127 | K | 32.8 | Very low | 34.3 | Very low | 172 Ų | 172 | 148.5 Ų | 148.5 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | 64.3 | 104.7 | 131.4 | -86.5 | -178 | 172.2 | 178.7 | 0 | 120.8 | ||||
| 128 | R | 36.1 | Very low | 34.3 | Very low | 196 Ų | 196 | 148.2 Ų | 148.2 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | 73 | 124.1 | 101.3 | 180 | -171.9 | -101.3 | -121 | 9.1 | 120 | |||||
| 129 | E | 33.5 | Very low | 34.7 | Very low | 131 Ų | 131 | 149.7 Ų | 149.7 | 61% | 0.612 | 78% | 0.778 | S | S | * | * | trans | 71.4 | 148.2 | 156.5 | -70.7 | 174.8 | 114.4 | 0 | 0 | 116.7 | ||||
| 130 | M | 31.4 | Very low | 34.7 | Very low | 126 Ų | 126 | 149.4 Ų | 149.4 | 62% | 0.621 | 78% | 0.777 | S | S | * | * | cis | -152.9 | 165.1 | 0.6 | -109.5 | -92.8 | -179.9 | 0 | 0 | 113.2 | ||||
| 131 | R | 40.2 | Very low | 35 | Very low | 215 Ų | 215 | 150.3 Ų | 150.3 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | -15.5 | 153.3 | 170.5 | -66.5 | 172.8 | 174.5 | 120.5 | -6.1 | 122.8 | ||||
| 132 | S | 30.2 | Very low | 35 | Very low | 117 Ų | 117 | 144.7 Ų | 144.7 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -136 | 129.2 | 150 | -75.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 133 | A | 33.2 | Very low | 35.2 | Very low | 95 Ų | 95 | 151.1 Ų | 151.1 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | 77.3 | 135.1 | 75.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 134 | L | 33.7 | Very low | 35.2 | Very low | 139 Ų | 139 | 151.1 Ų | 151.1 | 73% | 0.728 | 77% | 0.772 | S | S | * | * | cis | -172.8 | 140.2 | -3.1 | 173.5 | 66.2 | 0 | 0 | 0 | 112.5 | ||||
| 135 | R | 36.7 | Very low | 34.4 | Very low | 223 Ų | 223 | 151.5 Ų | 151.5 | 84% | 0.842 | 78% | 0.778 | S | S | * | * | trans | 66.7 | 156.9 | 161 | -75.2 | 167.5 | -165.9 | -93.3 | -0.9 | 119.1 | ||||
| 136 | A | 39.2 | Very low | 34.6 | Very low | 82 Ų | 82 | 145.4 Ų | 145.4 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | cis | -167.2 | 150.2 | -19.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 137 | R | 36.8 | Very low | 34.6 | Very low | 255 Ų | 255 | 143.7 Ų | 143.7 | 96% | 0.962 | 78% | 0.778 | S | S | * | * | trans | 49.8 | 119 | 134.8 | -169.8 | -172.1 | -167.1 | 177 | 5.2 | 120.6 | ||||
| 138 | G | 29.9 | Very low | 34.9 | Very low | 72 Ų | 72 | 140.9 Ų | 140.9 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | trans | 160.2 | 146.3 | 158.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 139 | S | 37.7 | Very low | 34.9 | Very low | 108 Ų | 108 | 138.1 Ų | 138.1 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | -133 | 174.3 | -176.5 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 140 | E | 30.6 | Very low | 34.8 | Very low | 187 Ų | 187 | 135.3 Ų | 135.3 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | 84.2 | 154 | 156.8 | -61.8 | 163.1 | -127.7 | 0 | 0 | 118.3 | ||||
| 141 | A | 36.3 | Very low | 34.8 | Very low | 94 Ų | 94 | 134.4 Ų | 134.4 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | trans | 66.4 | 154.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 142 | D | 32.5 | Very low | 34.7 | Very low | 133 Ų | 133 | 130.8 Ų | 130.8 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | -173.4 | 142.7 | -50.5 | -114.8 | -42.4 | 0 | 0 | 0 | 109.6 | |||||
| 143 | F | 37.1 | Very low | 34.8 | Very low | 218 Ų | 218 | 133.6 Ų | 133.6 | 96% | 0.956 | 79% | 0.791 | S | S | * | * | trans | -154.1 | 124 | 158.1 | -90.4 | -67.9 | 0 | 0 | 0 | 110.8 | ||||
| 144 | S | 33.3 | Very low | 34.9 | Very low | 98 Ų | 98 | 134.2 Ų | 134.2 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | trans | -114.3 | 135.5 | -176.1 | -76.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 145 | S | 37.2 | Very low | 34.9 | Very low | 121 Ų | 121 | 135.8 Ų | 135.8 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -172 | 98.6 | 147.3 | -80.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 146 | S | 36.5 | Very low | 34.7 | Very low | 108 Ų | 108 | 130.2 Ų | 130.2 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | 75.5 | 108.2 | 64.3 | -65 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 147 | S | 31.4 | Very low | 34.4 | Very low | 127 Ų | 127 | 132.7 Ų | 132.7 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | trans | -149.1 | 137 | 144.1 | -76.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 148 | S | 38.8 | Very low | 34.1 | Very low | 113 Ų | 113 | 128 Ų | 128 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | trans | -91.3 | 173.9 | -167.7 | -46.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 149 | T | 36.7 | Very low | 34.2 | Very low | 138 Ų | 138 | 129.4 Ų | 129.4 | 85% | 0.847 | 77% | 0.765 | S | S | * | * | -161.5 | 147.5 | 53.7 | 50.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 150 | G | 31.2 | Very low | 33.8 | Very low | 73 Ų | 73 | 129.5 Ų | 129.5 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | trans | 73.9 | 114.8 | 161.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 151 | S | 32.7 | Very low | 33.7 | Very low | 106 Ų | 106 | 126 Ų | 126 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | cis | 60.9 | 125.4 | 43.3 | -146 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 152 | L | 36.5 | Very low | 33.7 | Very low | 139 Ų | 139 | 126.8 Ų | 126.8 | 73% | 0.728 | 76% | 0.762 | S | S | * | * | cis | -147.2 | 140.6 | 49 | -72.6 | 154.6 | 0 | 0 | 0 | 114.5 | ||||
| 153 | K | 33.3 | Very low | 33.7 | Very low | 176 Ų | 176 | 127.6 Ų | 127.6 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | 50.6 | 149.8 | 129.5 | -62.1 | -166.7 | 175.8 | -179.7 | 0 | 121.9 | |||||
| 154 | T | 35.6 | Very low | 33.5 | Very low | 108 Ų | 108 | 120.1 Ų | 120.1 | 66% | 0.663 | 76% | 0.756 | S | S | * | * | cis | -174.3 | 152.6 | -10.7 | 25.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 155 | K | 33.9 | Very low | 33.8 | Very low | 173 Ų | 173 | 125.8 Ų | 125.8 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | 65 | 164.1 | 143.9 | -74.5 | -168.9 | 164.1 | -91.4 | 0 | 119 | ||||
| 156 | D | 32.3 | Very low | 33.8 | Very low | 106 Ų | 106 | 129.6 Ų | 129.6 | 57% | 0.567 | 77% | 0.769 | S | S | * | * | cis | -165.5 | 153 | -32.9 | -106.2 | -7.8 | 0 | 0 | 0 | 110.2 | ||||
| 157 | I | 32.1 | Very low | 33.5 | Very low | 133 Ų | 133 | 130.8 Ų | 130.8 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | trans | 58.1 | 106.1 | 139.4 | -59.8 | 168 | 0 | 0 | 0 | 121 | ||||
| 158 | L | 31.1 | Very low | 33.6 | Very low | 156 Ų | 156 | 130.1 Ų | 130.1 | 82% | 0.817 | 77% | 0.767 | S | S | * | * | 50.7 | 156.4 | 125.4 | -49.4 | 178.7 | 0 | 0 | 0 | 124.9 | |||||
| 159 | S | 31.1 | Very low | 33.2 | Very low | 103 Ų | 103 | 128.7 Ų | 128.7 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | trans | 92 | 81.9 | 143.6 | -61.1 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 160 | S | 30.2 | Very low | 33 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | 42.6 | 116.3 | 119.5 | 64.1 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 161 | S | 28.8 | Very low | 32.9 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | -179.2 | 149.3 | 125.6 | 44.4 | 0 | 0 | 0 | 0 | 110 | |||||
| 162 | S | 35.3 | Very low | 32.9 | Very low | 110 Ų | 110 | 142.2 Ų | 142.2 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | cis | 118.9 | 78.2 | -2.9 | 79 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 163 | V | 33.8 | Very low | 32.6 | Very low | 151 Ų | 151 | 142.6 Ų | 142.6 | 92% | 0.915 | 77% | 0.773 | S | S | * | * | trans | -144.8 | 137 | 155.6 | -173.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 164 | G | 33 | Very low | 32.8 | Very low | 61 Ų | 61 | 140.2 Ų | 140.2 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | cis | 151.5 | 103.8 | -10.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 165 | K | 39.2 | Very low | 32.9 | Very low | 216 Ų | 216 | 144.2 Ų | 144.2 | 94% | 0.939 | 79% | 0.787 | S | S | * | * | trans | -167.3 | 150 | 158.3 | -102.2 | 146 | -172.5 | 178.2 | 0 | 110.4 | ||||
| 166 | K | 35.8 | Very low | 33 | Very low | 202 Ų | 202 | 143.6 Ų | 143.6 | 88% | 0.878 | 79% | 0.79 | S | S | * | * | trans | -106.7 | 173.8 | -176.1 | -55 | 175.8 | 180 | 175.7 | 0 | 109.3 | ||||
| 167 | V | 30.8 | Very low | 33 | Very low | 133 Ų | 133 | 150.2 Ų | 150.2 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | cis | -151 | 152.1 | 25.9 | -179.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 168 | S | 33.1 | Very low | 33 | Very low | 112 Ų | 112 | 150.1 Ų | 150.1 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | trans | -10.3 | 160.7 | 155 | -127.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 169 | S | 30.6 | Very low | 33.2 | Very low | 83 Ų | 83 | 150.6 Ų | 150.6 | 58% | 0.58 | 82% | 0.816 | S | S | * | * | cis | -163.2 | 160.2 | 21.2 | 76.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 170 | R | 32.7 | Very low | 33.8 | Very low | 236 Ų | 236 | 151.3 Ų | 151.3 | 89% | 0.891 | 82% | 0.818 | S | S | * | * | trans | 90 | 150.7 | 145.7 | -130.1 | 174.3 | -66.2 | -140.1 | 2.6 | 119.7 | ||||
| 171 | C | 28.5 | Very low | 33.8 | Very low | 120 Ų | 120 | 153 Ų | 153 | 81% | 0.811 | 82% | 0.823 | S | S | * | * | trans | -115.9 | 164.9 | -152.2 | -22.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 172 | R | 33.3 | Very low | 34 | Very low | 245 Ų | 245 | 156.9 Ų | 156.9 | 93% | 0.925 | 83% | 0.826 | S | S | * | * | trans | -159.4 | 155.2 | 134 | -84.8 | -147.7 | 176.7 | -178.5 | -1.3 | 111.8 | ||||
| 173 | D | 29.7 | Very low | 33.8 | Very low | 147 Ų | 147 | 161.1 Ų | 161.1 | 79% | 0.786 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 158.1 | -179 | -46.5 | -87 | 0 | 0 | 0 | 114.4 | ||
| 174 | P | 38.2 | Very low | 34.5 | Very low | 126 Ų | 126 | 159.6 Ų | 159.6 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 120.7 | 159.7 | 34 | -27 | 0 | 0 | 0 | 111.6 | ||
| 175 | Q | 36.7 | Very low | 34.2 | Very low | 192 Ų | 192 | 162 Ų | 162 | 90% | 0.897 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 149.5 | 170.7 | -77.4 | -170 | -15.2 | 0 | 0 | 112.6 | ||
| 176 | I | 37 | Very low | 33.7 | Very low | 160 Ų | 160 | 155.5 Ų | 155.5 | 82% | 0.821 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 141.7 | -177.2 | -59.2 | 161.9 | 0 | 0 | 0 | 111.1 | ||
| 177 | R | 33.1 | Very low | 33.6 | Very low | 246 Ų | 246 | 152.4 Ų | 152.4 | 93% | 0.928 | 83% | 0.83 | S | S | * | * | trans | -151.8 | 163.1 | 154.1 | -117.9 | 172.9 | -164 | -173.8 | 4.5 | 114.1 | ||||
| 178 | T | 32.1 | Very low | 34 | Very low | 131 Ų | 131 | 151.7 Ų | 151.7 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | -110.3 | 166.8 | -160.1 | 41.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 179 | L | 35.2 | Very low | 33.9 | Very low | 166 Ų | 166 | 151.3 Ų | 151.3 | 87% | 0.869 | 83% | 0.825 | S | S | * | * | trans | -72.9 | 149.3 | 178.2 | -63.5 | 167 | 0 | 0 | 0 | 113.2 | ||||
| 180 | P | 41.9 | Very low | 34 | Very low | 117 Ų | 117 | 154 Ų | 154 | 76% | 0.76 | 83% | 0.832 | S | S | * | * | trans | -92.5 | 169.3 | 171.4 | 37 | -34.4 | 0 | 0 | 0 | 113.7 | ||||
| 181 | V | 30.8 | Very low | 33.8 | Very low | 145 Ų | 145 | 152.5 Ų | 152.5 | 88% | 0.879 | 83% | 0.832 | S | S | * | * | trans | -110.6 | 146.8 | -177.3 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 182 | F | 33.1 | Very low | 34.1 | Very low | 195 Ų | 195 | 152.8 Ų | 152.8 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | trans | -96.5 | 144 | 178.5 | -90.2 | -84.2 | 0 | 0 | 0 | 114.4 | ||||
| 183 | K | 31.5 | Very low | 34 | Very low | 200 Ų | 200 | 147.6 Ų | 147.6 | 87% | 0.87 | 81% | 0.812 | S | S | * | * | trans | -147.7 | 165.8 | 156.6 | -97 | -160.8 | 173.7 | -172.9 | 0 | 109.6 | ||||
| 184 | P | 47.3 | Very low | 34.1 | Very low | 119 Ų | 119 | 145.4 Ų | 145.4 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -116.9 | -175.5 | -141.4 | 43.5 | -37.8 | 0 | 0 | 0 | 117.3 | ||||
| 185 | A | 28.1 | Very low | 34 | Very low | 110 Ų | 110 | 147.9 Ų | 147.9 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | trans | 96.1 | 139.2 | 160.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 186 | G | 27.9 | Very low | 34 | Very low | 80 Ų | 80 | 146.1 Ų | 146.1 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | 148.3 | 128.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 187 | V | 34.4 | Very low | 33.7 | Very low | 138 Ų | 138 | 149.3 Ų | 149.3 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | trans | -112 | 164.5 | 178.7 | -147.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 188 | P | 39.8 | Very low | 33.7 | Very low | 118 Ų | 118 | 141.3 Ų | 141.3 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | -146.9 | 153.9 | 113.1 | 36.9 | -21.4 | 0 | 0 | 0 | 117.8 | |||||
| 189 | S | 29.4 | Very low | 34 | Very low | 103 Ų | 103 | 140.4 Ų | 140.4 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | trans | 0.6 | 122.6 | 161.4 | 58.8 | 0 | 0 | 0 | 0 | 123 | ||||
| 190 | L | 33.1 | Very low | 34.4 | Very low | 140 Ų | 140 | 143.6 Ų | 143.6 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | 13.5 | 139.4 | 119.7 | -79.1 | 159.3 | 0 | 0 | 0 | 120.3 | |||||
| 191 | K | 27.7 | Very low | 34 | Very low | 205 Ų | 205 | 149.8 Ų | 149.8 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | trans | -142.5 | 126 | 132 | -142.3 | -168.5 | -175.8 | -162.6 | 0 | 112.4 | ||||
| 192 | H | 34.8 | Very low | 34.5 | Very low | 125 Ų | 125 | 148.6 Ų | 148.6 | 58% | 0.579 | 79% | 0.794 | S | S | * | * | trans | -58.5 | 162 | 173.8 | -59.5 | -88 | 0 | 0 | 0 | 113.6 | ||||
| 193 | D | 31.7 | Very low | 35.1 | Very low | 137 Ų | 137 | 145.3 Ų | 145.3 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | cis | -164.6 | -161 | -20.1 | -93 | -20.3 | 0 | 0 | 0 | 105.4 | ||||
| 194 | S | 32.8 | Very low | 35.6 | Very low | 100 Ų | 100 | 141.7 Ų | 141.7 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | cis | -162.3 | -170.8 | 12.9 | -160.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 195 | E | 34.7 | Very low | 34.8 | Very low | 179 Ų | 179 | 147.4 Ų | 147.4 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | 65.9 | 156.3 | 166.9 | -66.9 | 177.5 | -148.1 | 0 | 0 | 119 | ||||
| 196 | L | 38.6 | Very low | 35.1 | Very low | 154 Ų | 154 | 146.7 Ų | 146.7 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | -163.4 | 122.1 | -65.4 | -112.1 | 171.5 | 0 | 0 | 0 | 109.5 | |||||
| 197 | Y | 29.7 | Very low | 35.2 | Very low | 227 Ų | 227 | 147.7 Ų | 147.7 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | trans | 66.7 | 173.6 | 155.1 | -152.9 | -112.4 | 0 | 0 | 0 | 120.3 | ||||
| 198 | A | 33.9 | Very low | 35.1 | Very low | 78 Ų | 78 | 146.5 Ų | 146.5 | 65% | 0.645 | 79% | 0.788 | S | S | * | * | trans | 75.9 | 153.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 199 | P | 38.5 | Very low | 34.6 | Very low | 112 Ų | 112 | 146.5 Ų | 146.5 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -125.4 | 170.4 | -136.1 | 36.4 | -20.2 | 0 | 0 | 0 | 117.5 | ||||
| 200 | Y | 42.3 | Very low | 35 | Very low | 234 Ų | 234 | 147.9 Ų | 147.9 | 92% | 0.918 | 80% | 0.795 | S | S | * | * | trans | 23.7 | 93.2 | 164.3 | -77.1 | -80.6 | 0 | 0 | 0 | 117.9 | ||||
| 201 | R | 34.3 | Very low | 35.1 | Very low | 246 Ų | 246 | 149.1 Ų | 149.1 | 93% | 0.928 | 80% | 0.802 | S | S | * | * | trans | -136.7 | 154.7 | 156.5 | -110.5 | -174.4 | -177.1 | -173.6 | 3.4 | 113.1 | ||||
| 202 | T | 40.9 | Very low | 35.2 | Very low | 120 Ų | 120 | 145.2 Ų | 145.2 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | trans | -55.3 | 141.8 | -177.8 | 49.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 203 | P | 46 | Very low | 35.6 | Very low | 127 Ų | 127 | 144.3 Ų | 144.3 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -65.1 | 134.2 | 177 | -21.3 | 33 | 0 | 0 | 0 | 114 | ||||
| 204 | P | 41.1 | Very low | 35.7 | Very low | 124 Ų | 124 | 142.6 Ų | 142.6 | 81% | 0.805 | 81% | 0.807 | S | S | * | * | trans | -88.4 | 112.3 | 174.9 | 32.6 | -31.9 | 0 | 0 | 0 | 113 | A206 | P204-A206 PolarHBondContact O-N 2.95Š| ||
| 205 | R | 30.7 | Very low | 35.8 | Very low | 238 Ų | 238 | 142.9 Ų | 142.9 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | trans | 13.1 | 101.5 | 142.3 | -172.1 | -175.8 | -171.2 | -177.8 | 3.4 | 117.3 | ||||
| 206 | A | 34.3 | Very low | 36 | Very low | 96 Ų | 96 | 140.9 Ų | 140.9 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 154.3 | 156.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | P204 | P204-A206 PolarHBondContact O-N 2.95Š|
| 207 | A | 31.6 | Very low | 35.8 | Very low | 100 Ų | 100 | 139.2 Ų | 139.2 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -82 | 150 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 208 | S | 31.1 | Very low | 36.3 | Very low | 114 Ų | 114 | 133 Ų | 133 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 141 | -178.6 | -52 | 0 | 0 | 0 | 0 | 113.3 | ||
| 209 | S | 29.9 | Very low | 36.9 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 152.5 | 137.7 | 58.1 | 0 | 0 | 0 | 0 | 109.2 | ||
| 210 | T | 37.1 | Very low | 37 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -78 | 133.4 | -166.2 | 49 | 0 | 0 | 0 | 0 | 113.7 | ||
| 211 | L | 35.6 | Very low | 37.3 | Very low | 167 Ų | 167 | 129.3 Ų | 129.3 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | 179 | 97.8 | 137.4 | -99.8 | 158.5 | 0 | 0 | 0 | 112.8 | ||||
| 212 | S | 30.6 | Very low | 37.9 | Very low | 123 Ų | 123 | 127.9 Ų | 127.9 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | 168.8 | 156 | 137.7 | 46.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 213 | S | 42.4 | Very low | 38.1 | Very low | 106 Ų | 106 | 133.3 Ų | 133.3 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | -82 | 123.4 | -179 | 50.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 214 | S | 34.2 | Very low | 38.3 | Very low | 101 Ų | 101 | 133.7 Ų | 133.7 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | -86.1 | 120.4 | 169.7 | -168.3 | 0 | 0 | 0 | 0 | 111.6 | N216 | S214-N216 PolarHBondContact O-N 3.11Å; S214-N216 PolarHBondContact OG-OD1 3.11Å | ||
| 215 | C | 34.3 | Very low | 38.3 | Very low | 106 Ų | 106 | 133.5 Ų | 133.5 | 72% | 0.716 | 80% | 0.796 | S | S | * | * | trans | -94 | 83.8 | 178.3 | -62.9 | 0 | 0 | 0 | 0 | 111.4 | S217 | C215-S217 PolarHBondContact O-N 3.42Š| ||
| 216 | N | 38.2 | Very low | 39.3 | Very low | 137 Ų | 137 | 130.1 Ų | 130.1 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | trans | -78.7 | 82.6 | 179.8 | -69.9 | 1.7 | 0 | 0 | 0 | 112.2 | S214 S218 | S214-N216 PolarHBondContact O-N 3.11Å; S214-N216 PolarHBondContact OG-OD1 3.11Å; N216-S218 PolarHBondContact O-N 2.9Å | ||
| 217 | S | 36.1 | Very low | 40.2 | Very low | 118 Ų | 118 | 128.5 Ų | 128.5 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -85.2 | 76.8 | 177.8 | -64.8 | 0 | 0 | 0 | 0 | 113 | C215 | C215-S217 PolarHBondContact O-N 3.42Š| ||
| 218 | S | 39.7 | Very low | 40.8 | Very low | 97 Ų | 97 | 135 Ų | 135 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | trans | -80.7 | 133.2 | 171.3 | -63.6 | 0 | 0 | 0 | 0 | 112 | N216 T220 | N216-S218 PolarHBondContact O-N 2.9Å; S218-T220 PolarHBondContact O-N 3.28Å | ||
| 219 | P | 46 | Very low | 41.7 | Very low | 131 Ų | 131 | 140.7 Ų | 140.7 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -75.5 | 90.2 | -175.7 | 30.7 | -35.1 | 0 | 0 | 0 | 111.7 | S221 | P219-S221 PolarHBondContact O-N 3.02Š| ||
| 220 | T | 39.7 | Very low | 42.9 | Very low | 97 Ų | 97 | 146.6 Ų | 146.6 | 60% | 0.595 | 80% | 0.8 | S | S | * | * | trans | -71.9 | 101.3 | 173.8 | -54.4 | 0 | 0 | 0 | 0 | 110.4 | S218 R222 | S218-T220 PolarHBondContact O-N 3.28Å; T220-R222 HydrophobicContact CG2-CG 4.37Å; T220-R222 PolarHBondContact O-N 3.26Å | ||
| 221 | S | 49 | Very low | 43.4 | Very low | 119 Ų | 119 | 145.6 Ų | 145.6 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -61.7 | 109.5 | 168 | -178.4 | 0 | 0 | 0 | 0 | 110 | P219 | P219-S221 PolarHBondContact O-N 3.02Š| ||
| 222 | R | 48.3 | Very low | 44.4 | Very low | 215 Ų | 215 | 144 Ų | 144 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -120.1 | 117 | 168.2 | -98.8 | -171.4 | -78.7 | -118.5 | 2.1 | 110.2 | T220 | T220-R222 HydrophobicContact CG2-CG 4.37Å; T220-R222 PolarHBondContact O-N 3.26Å | ||
| 223 | R | 43.6 | Very low | 45.6 | Very low | 234 Ų | 234 | 141.5 Ų | 141.5 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -55.4 | 140.3 | 172.9 | -75 | 175.9 | -113.4 | -164.5 | -5.1 | 110.8 | S225 | R223-S225 PolarHBondContact O-N 3.28Š| ||
| 224 | V | 51.7 | Low | 46 | Very low | 136 Ų | 136 | 142.7 Ų | 142.7 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | trans | 0.5 | 103.7 | 150.6 | -173.2 | 0 | 0 | 0 | 0 | 114.8 | L226 | V224-L226 HydrophobicContact CG1-CB 4.21Š| ||
| 225 | S | 40.6 | Very low | 47.3 | Very low | 120 Ų | 120 | 144.8 Ų | 144.8 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | -111.2 | 76.4 | 159.2 | 64.1 | 0 | 0 | 0 | 0 | 109 | R223 | R223-S225 PolarHBondContact O-N 3.28Š| ||
| 226 | L | 51.7 | Low | 48.5 | Very low | 166 Ų | 166 | 148.5 Ų | 148.5 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | trans | -65.2 | 141.1 | 172.1 | -179.5 | 66 | 0 | 0 | 0 | 109.7 | V224 | V224-L226 HydrophobicContact CG1-CB 4.21Š| ||
| 227 | G | 53.8 | Low | 49.4 | Very low | 62 Ų | 62 | 145.1 Ų | 145.1 | 64% | 0.639 | 80% | 0.799 | S | S | * | * | trans | 103.7 | 65.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 228 | R | 43.8 | Very low | 50.6 | Low | 237 Ų | 237 | 145.9 Ų | 145.9 | 89% | 0.894 | 80% | 0.798 | S | S | * | * | trans | -151.1 | 133.7 | 137.1 | -156.2 | 157.1 | -67.2 | -132.6 | 0.5 | 110.3 | R230 | R228-R230 PolarHBondContact O-N 3.48Å; R228-R230 VanDerWaalsContact O-N 3.17Å | ||
| 229 | Y | 49.1 | Very low | 51.9 | Low | 234 Ų | 234 | 151.7 Ų | 151.7 | 92% | 0.918 | 81% | 0.806 | S | S | * | * | trans | -57.9 | 117.8 | 178.8 | -90.2 | -110.2 | 0 | 0 | 0 | 110.4 | S231 | Y229-S231 PolarHBondContact O-N 2.93Š| ||
| 230 | R | 55 | Low | 52.9 | Low | 240 Ų | 240 | 149.9 Ų | 149.9 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | trans | -78.9 | 102.9 | 161.8 | -78.7 | -74.4 | -169.4 | -174.4 | 2 | 106.9 | R228 | R228-R230 PolarHBondContact O-N 3.48Å; R228-R230 VanDerWaalsContact O-N 3.17Å | ||
| 231 | S | 49.2 | Very low | 54.2 | Low | 111 Ų | 111 | 147.6 Ų | 147.6 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -58.8 | 138.1 | 174.6 | -165.8 | 0 | 0 | 0 | 0 | 110.5 | Y229 G233 | Y229-S231 PolarHBondContact O-N 2.93Å; S231-G233 PolarHBondContact O-N 3.02Å; S231-G233 VanDerWaalsContact O-N 3.14Å | ||
| 232 | C | 54.6 | Low | 54.9 | Low | 134 Ų | 134 | 145.8 Ų | 145.8 | 91% | 0.905 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -69.3 | 104.9 | 168.9 | -59.3 | 0 | 0 | 0 | 0 | 108.3 | ||
| 233 | G | 57.7 | Low | 55.7 | Low | 70 Ų | 70 | 140.2 Ų | 140.2 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | trans | -179 | 19.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | S231 | S231-G233 PolarHBondContact O-N 3.02Å; S231-G233 VanDerWaalsContact O-N 3.14Å | ||
| 234 | D | 50.7 | Low | 56.7 | Low | 131 Ų | 131 | 134.8 Ų | 134.8 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | trans | -147.8 | 106.4 | 169.8 | -172.1 | 0.5 | 0 | 0 | 0 | 110.3 | H236 | D234-H236 PolarHBondContact OD1-N 3.5Š| ||
| 235 | N | 60.5 | Low | 57.5 | Low | 146 Ų | 146 | 134.7 Ų | 134.7 | 78% | 0.781 | 73% | 0.728 | S | S | * | * | trans | -122.2 | 14.7 | -177.3 | -78.5 | -41.5 | 0 | 0 | 0 | 112.4 | ||||
| 236 | H | 59.4 | Low | 58.8 | Low | 183 Ų | 183 | 136.4 Ų | 136.4 | 85% | 0.847 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -131.3 | 48.4 | -169.9 | -60.2 | -44.1 | 0 | 0 | 0 | 113.1 | D234 | D234-H236 PolarHBondContact OD1-N 3.5Š|
| 237 | G | 57 | Low | 60.1 | Low | 66 Ų | 66 | 131.3 Ų | 131.3 | 68% | 0.68 | 69% | 0.691 | S | S | * | * | trans | -152.2 | -11.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | R239 | G237-R239 PolarHBondContact O-N 3.29Š| ||
| 238 | V | 60.8 | Low | 61.8 | Low | 134 Ų | 134 | 131.7 Ų | 131.7 | 81% | 0.812 | 68% | 0.681 | S | S | * | * | trans | -75.2 | 93.4 | 176.4 | -174 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 239 | R | 68.3 | Low | 64 | Low | 220 Ų | 220 | 125 Ų | 125 | 83% | 0.83 | 67% | 0.668 | S | S | * | * | trans | -44.1 | 131.4 | 163.9 | 172.2 | -179.9 | 172.1 | 167.8 | -0.4 | 108.3 | G237 | G237-R239 PolarHBondContact O-N 3.29Š| ||
| 240 | P | 65.8 | Low | 66 | Low | 93 Ų | 93 | 120.2 Ų | 120.2 | 60% | 0.604 | 66% | 0.657 | S | S | * | * | trans | -48.3 | 128.3 | 176.7 | -29.5 | 35.5 | 0 | 0 | 0 | 110.4 | ||||
| 241 | P | 66.9 | Low | 67.8 | Low | 49 Ų | 49 | 112.5 Ų | 112.5 | 32% | 0.318 | 63% | 0.632 | S | S | . | * | trans | -44.3 | 146.1 | 170.7 | -30.4 | 33.1 | 0 | 0 | 0 | 111.6 | Q245 Y246 | P241-Q245 HydrophobicContact CB-CB 3.75Å; P241-Y246 HydrophobicContact CB-CD2 4.26Å; P241-Y246 HydrophobicContact CB-CE2 3.9Å; P241-Y246 WeakPolarHBondContact CD-OH 3.3Å; P241-Y246 HydrophobicContact CG-CE1 4.45Å; P241-Y246 HydrophobicContact CG-CE2 4.39Å; P241-Y246 VanDerWaalsContact O-CE2 3.26Å; P241-Y246 WeakPolarHBondContact O-CE2 3.45Å | ||
| 242 | N | 64.6 | Low | 69.7 | Low | 81 Ų | 81 | 111.2 Ų | 111.2 | 43% | 0.433 | 61% | 0.614 | S | S | . | * | trans | -52.7 | 135.3 | 171 | 177.6 | 18.7 | 0 | 0 | 0 | 107.8 | E244 Q245 | N242-E244 PolarHBondContact ND2-OE2 3.22Å; N242-E244 PolarHBondContact O-N 3.21Å; N242-Q245 HydrophobicContact CB-CG 4.2Å; N242-Q245 WeakPolarHBondContact O-CA 3.48Å; N242-Q245 VanDerWaalsContact O-CB 3.28Å; N242-Q245 WeakPolarHBondContact O-CB 3.47Å; N242-Q245 PolarHBondContact O-N 2.85Å | ||
| 243 | P | 65.1 | Low | 71.6 | Confident | 98 Ų | 98 | 111.7 Ų | 111.7 | 64% | 0.636 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -40.9 | -38.6 | -177.8 | 2.9 | -23.6 | 0 | 0 | 0 | 115.5 | Q245 Y246 | P243-Q245 VanDerWaalsContact C-N 3.27Å; P243-Q245 PolarHBondContact O-N 3.1Å; P243-Y246 PolarHBondContact O-N 3.03Å |
| 244 | E | 64.6 | Low | 73.3 | Confident | 119 Ų | 119 | 112.8 Ų | 112.8 | 56% | 0.556 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -59.7 | -30.5 | 175.6 | -58.8 | 174.4 | 131.6 | 0 | 0 | 114.1 | N242 Y246 L247 Q252 | N242-E244 PolarHBondContact ND2-OE2 3.22Å; N242-E244 PolarHBondContact O-N 3.21Å; E244-Y246 VanDerWaalsContact C-N 3.32Å; E244-Y246 PolarHBondContact O-N 3.46Å; E244-L247 WeakPolarHBondContact O-CB 3.36Å; E244-L247 PolarHBondContact O-N 2.81Å; E244-Q252 PolarHBondContact O-NE2 3.36Å |
| 245 | Q | 68.3 | Low | 75.4 | Confident | 135 Ų | 135 | 109.5 Ų | 109.5 | 63% | 0.631 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -77.3 | -11.7 | 179.9 | -63.4 | 177 | -46.6 | 0 | 0 | 113.8 | P241 N242 P243 | P241-Q245 HydrophobicContact CB-CB 3.75Å; N242-Q245 HydrophobicContact CB-CG 4.2Å; N242-Q245 WeakPolarHBondContact O-CA 3.48Å; N242-Q245 VanDerWaalsContact O-CB 3.28Å; N242-Q245 WeakPolarHBondContact O-CB 3.47Å; N242-Q245 PolarHBondContact O-N 2.85Å; P243-Q245 VanDerWaalsContact C-N 3.27Å; P243-Q245 PolarHBondContact O-N 3.1Å |
| 246 | Y | 67.1 | Low | 77.1 | Confident | 156 Ų | 156 | 104.9 Ų | 104.9 | 61% | 0.612 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -84.3 | -18 | 166.7 | -65.5 | -84.5 | 0 | 0 | 0 | 112.4 | P241 P243 E244 | P241-Y246 HydrophobicContact CB-CD2 4.26Å; P241-Y246 HydrophobicContact CB-CE2 3.9Å; P241-Y246 WeakPolarHBondContact CD-OH 3.3Å; P241-Y246 HydrophobicContact CG-CE1 4.45Å; P241-Y246 HydrophobicContact CG-CE2 4.39Å; P241-Y246 VanDerWaalsContact O-CE2 3.26Å; P241-Y246 WeakPolarHBondContact O-CE2 3.45Å; P243-Y246 PolarHBondContact O-N 3.03Å; E244-Y246 VanDerWaalsContact C-N 3.32Å; E244-Y246 PolarHBondContact O-N 3.46Å |
| 247 | L | 80.1 | Confident | 78.8 | Confident | 59 Ų | 59 | 101.5 Ų | 101.5 | 31% | 0.309 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -80.8 | 133.5 | 174.6 | -59.2 | 179.4 | 0 | 0 | 0 | 109.5 | E244 Q251 Q252 V255 | E244-L247 WeakPolarHBondContact O-CB 3.36Å; E244-L247 PolarHBondContact O-N 2.81Å; L247-Q251 HydrophobicContact CB-CB 3.89Å; L247-Q251 HydrophobicContact CD2-CB 4.12Å; L247-Q251 HydrophobicContact CG-CB 4.45Å; L247-Q252 HydrophobicContact CB-CG 3.79Å; L247-V255 HydrophobicContact CD1-CG2 4.12Å |
| 248 | T | 88.8 | Confident | 80.8 | Confident | 70 Ų | 70 | 104.7 Ų | 104.7 | 43% | 0.429 | 53% | 0.532 | S | S | . | . | trans | -58 | 155 | 167.7 | 59.6 | 0 | 0 | 0 | 0 | 110.5 | L250 Q251 Q252 | T248-L250 PolarHBondContact O-N 3.48Å; T248-Q251 PolarHBondContact O-N 2.95Å; T248-Q251 WeakPolarHBondContact OG1-CG 3.47Å; T248-Q251 PolarHBondContact OG1-N 2.81Å; T248-Q251 PolarHBondContact OG1-OE1 3.4Å; T248-Q252 PolarHBondContact O-N 3.3Å | ||
| 249 | P | 89.4 | Confident | 82.5 | Confident | 95 Ų | 95 | 103.4 Ų | 103.4 | 62% | 0.617 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -57.1 | -17 | 175.3 | -27.3 | 36.1 | 0 | 0 | 0 | 114.7 | K253 | P249-K253 WeakPolarHBondContact O-CD 3.37Å; P249-K253 VanDerWaalsContact O-CG 3.31Å; P249-K253 WeakPolarHBondContact O-CG 3.27Å |
| 250 | L | 91.4 | Very high | 84 | Confident | 134 Ų | 134 | 98.2 Ų | 98.2 | 70% | 0.702 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -76.8 | -50.7 | 170.2 | -177.4 | 61.5 | 0 | 0 | 0 | 111.5 | T248 Q252 K253 E254 | T248-L250 PolarHBondContact O-N 3.48Å; L250-Q252 VanDerWaalsContact C-N 3.34Å; L250-Q252 PolarHBondContact O-N 3.29Å; L250-K253 WeakPolarHBondContact O-CB 3.31Å; L250-K253 PolarHBondContact O-N 3.03Å; L250-E254 PolarHBondContact O-N 2.93Å |
| 251 | Q | 92.7 | Very high | 85.5 | Confident | 79 Ų | 79 | 100.6 Ų | 100.6 | 37% | 0.369 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.2 | -36.6 | 177 | -71.7 | 161.8 | -52.9 | 0 | 0 | 112.5 | L247 T248 K253 E254 V255 | L247-Q251 HydrophobicContact CB-CB 3.89Å; L247-Q251 HydrophobicContact CD2-CB 4.12Å; L247-Q251 HydrophobicContact CG-CB 4.45Å; T248-Q251 PolarHBondContact O-N 2.95Å; T248-Q251 WeakPolarHBondContact OG1-CG 3.47Å; T248-Q251 PolarHBondContact OG1-N 2.81Å; T248-Q251 PolarHBondContact OG1-OE1 3.4Å; Q251-K253 PolarHBondContact O-N 2.86Å; Q251-E254 PolarHBondContact O-N 3.47Å; Q251-V255 WeakPolarHBondContact O-CG2 3.31Å; Q251-V255 PolarHBondContact O-N 3.47Å |
| 252 | Q | 90.6 | Very high | 87 | Confident | 84 Ų | 84 | 102.7 Ų | 102.7 | 39% | 0.393 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58 | -47.1 | 172 | -70.3 | -179.9 | -9.4 | 0 | 0 | 111.5 | E244 L247 T248 L250 E254 V255 A256 | E244-Q252 PolarHBondContact O-NE2 3.36Å; L247-Q252 HydrophobicContact CB-CG 3.79Å; T248-Q252 PolarHBondContact O-N 3.3Å; L250-Q252 VanDerWaalsContact C-N 3.34Å; L250-Q252 PolarHBondContact O-N 3.29Å; Q252-E254 VanDerWaalsContact C-N 3.35Å; Q252-V255 PolarHBondContact O-N 3.33Å; Q252-A256 WeakPolarHBondContact O-CB 3.46Å; Q252-A256 PolarHBondContact O-N 2.98Å |
| 253 | K | 92.8 | Very high | 88.6 | Confident | 143 Ų | 143 | 103.9 Ų | 103.9 | 62% | 0.622 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.4 | -40.3 | 175.5 | -74.4 | 174.8 | 179.9 | -176.4 | 0 | 111.8 | P249 L250 Q251 A256 I257 | P249-K253 WeakPolarHBondContact O-CD 3.37Å; P249-K253 VanDerWaalsContact O-CG 3.31Å; P249-K253 WeakPolarHBondContact O-CG 3.27Å; L250-K253 WeakPolarHBondContact O-CB 3.31Å; L250-K253 PolarHBondContact O-N 3.03Å; Q251-K253 PolarHBondContact O-N 2.86Å; K253-A256 PolarHBondContact O-N 2.91Å; K253-I257 WeakPolarHBondContact O-CB 3.39Å; K253-I257 WeakPolarHBondContact O-CD1 3.49Å; K253-I257 WeakPolarHBondContact O-CG1 3.43Å; K253-I257 PolarHBondContact O-N 2.93Å |
| 254 | E | 95.1 | Very high | 90.2 | Very high | 93 Ų | 93 | 104.4 Ų | 104.4 | 44% | 0.435 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 178.7 | -159 | -144.3 | 125.7 | 0 | 0 | 112.1 | L250 Q251 Q252 I257 R258 | L250-E254 PolarHBondContact O-N 2.93Å; Q251-E254 PolarHBondContact O-N 3.47Å; Q252-E254 VanDerWaalsContact C-N 3.35Å; E254-I257 PolarHBondContact O-N 2.92Å; E254-R258 WeakPolarHBondContact O-CG 3.25Å; E254-R258 PolarHBondContact O-N 3.47Å; E254-R258 IonicContact OE1-CZ 3.48Å; E254-R258 IonicContact OE1-NE 3.49Å; E254-R258 PolarHBondContact OE1-NE 3.37Å; E254-R258 IonicContact OE1-NH2 2.72Å; E254-R258 PolarHBondContact OE1-NH2 3.47Å; E254-R258 IonicContact OE2-NH2 2.77Å |
| 255 | V | 94.7 | Very high | 91.8 | Very high | 63 Ų | 63 | 102.5 Ų | 102.5 | 38% | 0.382 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 173.9 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | L247 Q251 Q252 R258 H259 | L247-V255 HydrophobicContact CD1-CG2 4.12Å; Q251-V255 WeakPolarHBondContact O-CG2 3.31Å; Q251-V255 PolarHBondContact O-N 3.47Å; Q252-V255 PolarHBondContact O-N 3.33Å; V255-R258 PolarHBondContact O-N 3.03Å; V255-H259 PolarHBondContact O-N 3.42Å |
| 256 | A | 94.8 | Very high | 93.3 | Very high | 48 Ų | 48 | 102.2 Ų | 102.2 | 40% | 0.397 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q252 K253 H259 L260 | Q252-A256 WeakPolarHBondContact O-CB 3.46Å; Q252-A256 PolarHBondContact O-N 2.98Å; K253-A256 PolarHBondContact O-N 2.91Å; A256-H259 PolarHBondContact O-N 3.46Å; A256-L260 WeakPolarHBondContact O-CB 3.35Å; A256-L260 VanDerWaalsContact O-CG 3.28Å; A256-L260 WeakPolarHBondContact O-CG 3.33Å; A256-L260 PolarHBondContact O-N 3.36Å |
| 257 | I | 96.8 | Very high | 94.8 | Very high | 112 Ų | 112 | 97.7 Ų | 97.7 | 57% | 0.574 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.7 | -43.7 | 174.9 | -71.7 | 162.2 | 0 | 0 | 0 | 110.6 | K253 E254 L260 K261 | K253-I257 WeakPolarHBondContact O-CB 3.39Å; K253-I257 WeakPolarHBondContact O-CD1 3.49Å; K253-I257 WeakPolarHBondContact O-CG1 3.43Å; K253-I257 PolarHBondContact O-N 2.93Å; E254-I257 PolarHBondContact O-N 2.92Å; I257-L260 PolarHBondContact O-N 3.27Å; I257-K261 WeakPolarHBondContact O-CB 3.5Å; I257-K261 PolarHBondContact O-N 2.76Å |
| 258 | R | 97.2 | Very high | 95.7 | Very high | 134 Ų | 134 | 99.1 Ų | 99.1 | 51% | 0.506 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 175 | -76.4 | -170 | -96.5 | 120.2 | -11.7 | 111.7 | E254 V255 K261 T262 | E254-R258 WeakPolarHBondContact O-CG 3.25Å; E254-R258 PolarHBondContact O-N 3.47Å; E254-R258 IonicContact OE1-CZ 3.48Å; E254-R258 IonicContact OE1-NE 3.49Å; E254-R258 PolarHBondContact OE1-NE 3.37Å; E254-R258 IonicContact OE1-NH2 2.72Å; E254-R258 PolarHBondContact OE1-NH2 3.47Å; E254-R258 IonicContact OE2-NH2 2.77Å; V255-R258 PolarHBondContact O-N 3.03Å; R258-K261 PolarHBondContact O-N 2.91Å; R258-T262 PolarHBondContact O-N 3.37Å; R258-T262 PolarHBondContact O-OG1 3Å; R258-T262 VanDerWaalsContact O-OG1 3.14Å |
| 259 | H | 97.7 | Very high | 96.1 | Very high | 106 Ų | 106 | 100 Ų | 100 | 49% | 0.491 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 176.2 | -176.7 | 52.3 | 0 | 0 | 0 | 113.2 | V255 A256 K261 T262 K263 | V255-H259 PolarHBondContact O-N 3.42Å; A256-H259 PolarHBondContact O-N 3.46Å; H259-K261 VanDerWaalsContact C-N 3.35Å; H259-T262 PolarHBondContact O-N 3.13Å; H259-K263 PolarHBondContact NE2-NZ 3.38Å; H259-K263 PolarHBondContact O-N 3.01Å |
| 260 | L | 98.6 | Very high | 96.6 | Very high | 112 Ų | 112 | 101.5 Ų | 101.5 | 59% | 0.586 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.7 | -37.2 | 176.4 | -71.5 | 171 | 0 | 0 | 0 | 111.8 | A256 I257 K263 L264 | A256-L260 WeakPolarHBondContact O-CB 3.35Å; A256-L260 VanDerWaalsContact O-CG 3.28Å; A256-L260 WeakPolarHBondContact O-CG 3.33Å; A256-L260 PolarHBondContact O-N 3.36Å; I257-L260 PolarHBondContact O-N 3.27Å; L260-K263 PolarHBondContact O-N 3.27Å; L260-L264 WeakPolarHBondContact O-CB 3.5Å; L260-L264 PolarHBondContact O-N 3.15Å |
| 261 | K | 98.3 | Very high | 96.9 | Very high | 142 Ų | 142 | 99.8 Ų | 99.8 | 62% | 0.617 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.4 | -46 | 173.1 | -173 | 177.4 | 180 | -179.3 | 0 | 111.4 | I257 R258 H259 K263 L264 M265 | I257-K261 WeakPolarHBondContact O-CB 3.5Å; I257-K261 PolarHBondContact O-N 2.76Å; R258-K261 PolarHBondContact O-N 2.91Å; H259-K261 VanDerWaalsContact C-N 3.35Å; K261-K263 VanDerWaalsContact C-N 3.34Å; K261-K263 PolarHBondContact O-N 2.83Å; K261-L264 PolarHBondContact O-N 3.44Å; K261-M265 WeakPolarHBondContact O-CG 3.1Å; K261-M265 PolarHBondContact O-N 2.97Å |
| 262 | T | 98.4 | Very high | 97.2 | Very high | 93 Ų | 93 | 101 Ų | 101 | 57% | 0.571 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.7 | -45.2 | 175.6 | -57.2 | 0 | 0 | 0 | 0 | 111.5 | R258 H259 L264 M265 E266 | R258-T262 PolarHBondContact O-N 3.37Å; R258-T262 PolarHBondContact O-OG1 3Å; R258-T262 VanDerWaalsContact O-OG1 3.14Å; H259-T262 PolarHBondContact O-N 3.13Å; T262-L264 VanDerWaalsContact C-N 3.34Å; T262-L264 PolarHBondContact O-N 3.44Å; T262-M265 PolarHBondContact O-N 2.69Å; T262-E266 WeakPolarHBondContact O-CB 3.32Å; T262-E266 PolarHBondContact O-N 2.85Å |
| 263 | K | 98.4 | Very high | 97.6 | Very high | 107 Ų | 107 | 102 Ų | 102 | 47% | 0.465 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.2 | -35.3 | 176 | -79.2 | -178.4 | 165.9 | -178.9 | 0 | 113.7 | H259 L260 K261 S267 | H259-K263 PolarHBondContact NE2-NZ 3.38Å; H259-K263 PolarHBondContact O-N 3.01Å; L260-K263 PolarHBondContact O-N 3.27Å; K261-K263 VanDerWaalsContact C-N 3.34Å; K261-K263 PolarHBondContact O-N 2.83Å; K263-S267 WeakPolarHBondContact O-CB 3.34Å; K263-S267 PolarHBondContact O-N 3.17Å; K263-S267 PolarHBondContact O-OG 3.25Å |
| 264 | L | 98.7 | Very high | 97.9 | Very high | 109 Ų | 109 | 101.5 Ų | 101.5 | 57% | 0.571 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.6 | -51.5 | 174.3 | -177.9 | 61.4 | 0 | 0 | 0 | 110.2 | L260 K261 T262 E266 S267 E268 | L260-L264 WeakPolarHBondContact O-CB 3.5Å; L260-L264 PolarHBondContact O-N 3.15Å; K261-L264 PolarHBondContact O-N 3.44Å; T262-L264 VanDerWaalsContact C-N 3.34Å; T262-L264 PolarHBondContact O-N 3.44Å; L264-E266 VanDerWaalsContact C-N 3.32Å; L264-E266 PolarHBondContact O-N 3.43Å; L264-S267 PolarHBondContact O-N 3.19Å; L264-S267 VanDerWaalsContact O-N 3.12Å; L264-S267 PolarHBondContact O-OG 3.04Å; L264-E268 WeakPolarHBondContact O-CB 3.44Å; L264-E268 PolarHBondContact O-N 3.48Å |
| 265 | M | 98.6 | Very high | 98 | Very high | 79 Ų | 79 | 101 Ų | 101 | 39% | 0.389 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.3 | -41.3 | 175.9 | -60.9 | -53.6 | -44.5 | 0 | 0 | 112.2 | K261 T262 S267 E268 N269 | K261-M265 WeakPolarHBondContact O-CG 3.1Å; K261-M265 PolarHBondContact O-N 2.97Å; T262-M265 PolarHBondContact O-N 2.69Å; M265-S267 PolarHBondContact O-N 2.85Å; M265-E268 VanDerWaalsContact CE-OE2 3.29Å; M265-E268 WeakPolarHBondContact CE-OE2 3.4Å; M265-E268 PolarHBondContact O-N 2.97Å; M265-N269 WeakPolarHBondContact O-CB 3.42Å; M265-N269 PolarHBondContact O-N 3Å; M265-N269 PolarHBondContact O-OD1 3.03Å |
| 266 | E | 98.5 | Very high | 98.2 | Very high | 129 Ų | 129 | 103.1 Ų | 103.1 | 60% | 0.603 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.8 | -43.7 | 175.7 | -174.4 | -172.6 | -179.9 | 0 | 0 | 111.5 | T262 L264 K270 | T262-E266 WeakPolarHBondContact O-CB 3.32Å; T262-E266 PolarHBondContact O-N 2.85Å; L264-E266 VanDerWaalsContact C-N 3.32Å; L264-E266 PolarHBondContact O-N 3.43Å; E266-K270 VanDerWaalsContact O-CB 3.29Å; E266-K270 WeakPolarHBondContact O-CB 3.18Å; E266-K270 PolarHBondContact O-N 2.93Å; E266-K270 VanDerWaalsContact O-N 3.12Å |
| 267 | S | 98.5 | Very high | 98.4 | Very high | 60 Ų | 60 | 105.9 Ų | 105.9 | 42% | 0.42 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.4 | -36 | 177 | 71.8 | 0 | 0 | 0 | 0 | 113.1 | K263 L264 M265 V271 | K263-S267 WeakPolarHBondContact O-CB 3.34Å; K263-S267 PolarHBondContact O-N 3.17Å; K263-S267 PolarHBondContact O-OG 3.25Å; L264-S267 PolarHBondContact O-N 3.19Å; L264-S267 VanDerWaalsContact O-N 3.12Å; L264-S267 PolarHBondContact O-OG 3.04Å; M265-S267 PolarHBondContact O-N 2.85Å; S267-V271 WeakPolarHBondContact O-CG2 3.45Å; S267-V271 PolarHBondContact O-N 3.41Å; S267-V271 VanDerWaalsContact O-N 3.15Å |
| 268 | E | 98.6 | Very high | 98.5 | Very high | 89 Ų | 89 | 104 Ų | 104 | 42% | 0.416 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68 | -47.8 | 177.6 | 178.8 | 170.1 | -136.6 | 0 | 0 | 111.3 | L264 M265 K270 V271 H272 | L264-E268 WeakPolarHBondContact O-CB 3.44Å; L264-E268 PolarHBondContact O-N 3.48Å; M265-E268 VanDerWaalsContact CE-OE2 3.29Å; M265-E268 WeakPolarHBondContact CE-OE2 3.4Å; M265-E268 PolarHBondContact O-N 2.97Å; E268-K270 VanDerWaalsContact C-N 3.32Å; E268-K270 PolarHBondContact O-N 3.41Å; E268-V271 PolarHBondContact O-N 3.24Å; E268-V271 VanDerWaalsContact O-N 3.12Å; E268-H272 PolarHBondContact O-N 3.02Å; E268-H272 PolarHBondContact O-ND1 3.48Å |
| 269 | N | 98.5 | Very high | 98.6 | Very high | 89 Ų | 89 | 102.3 Ų | 102.3 | 48% | 0.476 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57 | -46.9 | 173.8 | -70.2 | -7.8 | 0 | 0 | 0 | 110.8 | M265 V271 H272 D273 | M265-N269 WeakPolarHBondContact O-CB 3.42Å; M265-N269 PolarHBondContact O-N 3Å; M265-N269 PolarHBondContact O-OD1 3.03Å; N269-V271 PolarHBondContact O-N 3.33Å; N269-H272 PolarHBondContact O-N 3.19Å; N269-D273 VanDerWaalsContact O-CG 3.26Å; N269-D273 PolarHBondContact O-N 3.46Å |
| 270 | K | 98.7 | Very high | 98.6 | Very high | 127 Ų | 127 | 103.6 Ų | 103.6 | 55% | 0.552 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.4 | -21.6 | 178.5 | -176.6 | 175.1 | 179.4 | 177.6 | 0 | 114.3 | E266 E268 | E266-K270 VanDerWaalsContact O-CB 3.29Å; E266-K270 WeakPolarHBondContact O-CB 3.18Å; E266-K270 PolarHBondContact O-N 2.93Å; E266-K270 VanDerWaalsContact O-N 3.12Å; E268-K270 VanDerWaalsContact C-N 3.32Å; E268-K270 PolarHBondContact O-N 3.41Å |
| 271 | V | 98.7 | Very high | 98.6 | Very high | 97 Ų | 97 | 102.7 Ų | 102.7 | 59% | 0.588 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -82.3 | -42.3 | 170.5 | 168.6 | 0 | 0 | 0 | 0 | 110.8 | S267 E268 N269 R274 E275 | S267-V271 WeakPolarHBondContact O-CG2 3.45Å; S267-V271 PolarHBondContact O-N 3.41Å; S267-V271 VanDerWaalsContact O-N 3.15Å; E268-V271 PolarHBondContact O-N 3.24Å; E268-V271 VanDerWaalsContact O-N 3.12Å; N269-V271 PolarHBondContact O-N 3.33Å; V271-R274 WeakPolarHBondContact O-CB 3.36Å; V271-R274 PolarHBondContact O-N 3.37Å; V271-R274 VanDerWaalsContact O-N 3.15Å; V271-E275 PolarHBondContact O-N 3.12Å |
| 272 | H | 98.8 | Very high | 98.7 | Very high | 106 Ų | 106 | 100.2 Ų | 100.2 | 49% | 0.491 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 174.2 | -73.3 | 87.2 | 0 | 0 | 0 | 112.1 | E268 N269 R274 E275 N276 | E268-H272 PolarHBondContact O-N 3.02Å; E268-H272 PolarHBondContact O-ND1 3.48Å; N269-H272 PolarHBondContact O-N 3.19Å; H272-R274 PolarHBondContact O-N 3.12Å; H272-E275 PolarHBondContact O-N 3.49Å; H272-N276 WeakPolarHBondContact O-CB 3.31Å; H272-N276 PolarHBondContact O-N 2.95Å; H272-N276 PolarHBondContact O-ND2 3.45Å |
| 273 | D | 98.7 | Very high | 98.7 | Very high | 103 Ų | 103 | 98.1 Ų | 98.1 | 55% | 0.551 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -55.5 | -38.9 | 173.4 | -66.6 | -29.4 | 0 | 0 | 0 | 111.8 | N269 E277 | N269-D273 VanDerWaalsContact O-CG 3.26Å; N269-D273 PolarHBondContact O-N 3.46Å; D273-E277 WeakPolarHBondContact O-CB 3.47Å; D273-E277 PolarHBondContact O-N 2.86Å |
| 274 | R | 98.7 | Very high | 98.7 | Very high | 134 Ų | 134 | 97.3 Ų | 97.3 | 51% | 0.506 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -72.8 | -40.9 | 177.6 | -85.5 | 177.7 | 157.5 | 53.3 | 20 | 113.2 | V271 H272 N276 E277 I278 | V271-R274 WeakPolarHBondContact O-CB 3.36Å; V271-R274 PolarHBondContact O-N 3.37Å; V271-R274 VanDerWaalsContact O-N 3.15Å; H272-R274 PolarHBondContact O-N 3.12Å; R274-N276 VanDerWaalsContact C-N 3.28Å; R274-E277 PolarHBondContact O-N 2.84Å; R274-I278 VanDerWaalsContact O-CB 3.3Å; R274-I278 WeakPolarHBondContact O-CB 3.41Å; R274-I278 WeakPolarHBondContact O-CD1 3.36Å; R274-I278 WeakPolarHBondContact O-CG1 3.49Å; R274-I278 PolarHBondContact O-N 3.14Å |
| 275 | E | 98.8 | Very high | 98.7 | Very high | 83 Ų | 83 | 98 Ų | 98 | 39% | 0.388 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66 | -37.2 | 174.3 | -171.7 | 56.4 | -146.4 | 0 | 0 | 110.2 | V271 H272 I278 Q279 K282 | V271-E275 PolarHBondContact O-N 3.12Å; H272-E275 PolarHBondContact O-N 3.49Å; E275-I278 CarbonylContact O-C 3.6Å; E275-I278 PolarHBondContact O-N 3.39Å; E275-Q279 HydrophobicContact CG-CG 4.33Å; E275-Q279 WeakPolarHBondContact O-CB 3.49Å; E275-Q279 WeakPolarHBondContact O-CG 3.42Å; E275-Q279 PolarHBondContact O-N 3.31Å; E275-Q279 PolarHBondContact OE1-NE2 3.2Å; E275-K282 IonicContact OE1-NZ 3.52Å; E275-K282 PolarHBondContact OE1-NZ 3.04Å |
| 276 | N | 98.7 | Very high | 98.7 | Very high | 107 Ų | 107 | 97.3 Ų | 97.3 | 57% | 0.572 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.4 | -48.6 | 172.9 | -68.1 | -27.4 | 0 | 0 | 0 | 112.2 | H272 R274 I278 Q279 E280 | H272-N276 WeakPolarHBondContact O-CB 3.31Å; H272-N276 PolarHBondContact O-N 2.95Å; H272-N276 PolarHBondContact O-ND2 3.45Å; R274-N276 VanDerWaalsContact C-N 3.28Å; N276-I278 VanDerWaalsContact C-N 3.32Å; N276-I278 PolarHBondContact O-N 3.03Å; N276-Q279 PolarHBondContact O-N 2.98Å; N276-E280 PolarHBondContact O-N 3.35Å |
| 277 | E | 98.8 | Very high | 98.7 | Very high | 105 Ų | 105 | 97.7 Ų | 97.7 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.4 | -44 | 173.3 | -179.9 | 179.6 | -158 | 0 | 0 | 111.4 | D273 R274 Q279 E280 L281 | D273-E277 WeakPolarHBondContact O-CB 3.47Å; D273-E277 PolarHBondContact O-N 2.86Å; R274-E277 PolarHBondContact O-N 2.84Å; E277-Q279 PolarHBondContact O-N 3.1Å; E277-E280 PolarHBondContact O-N 3.17Å; E277-L281 HydrophobicContact CG-CD1 4.09Å; E277-L281 WeakPolarHBondContact O-CB 3.28Å; E277-L281 VanDerWaalsContact O-CG 3.29Å; E277-L281 WeakPolarHBondContact O-CG 3.42Å; E277-L281 PolarHBondContact O-N 3.24Å |
| 278 | I | 98.7 | Very high | 98.7 | Very high | 74 Ų | 74 | 100 Ų | 100 | 38% | 0.379 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.9 | -38.1 | 177 | -73.4 | 166.3 | 0 | 0 | 0 | 111.5 | R274 E275 N276 K282 | R274-I278 VanDerWaalsContact O-CB 3.3Å; R274-I278 WeakPolarHBondContact O-CB 3.41Å; R274-I278 WeakPolarHBondContact O-CD1 3.36Å; R274-I278 WeakPolarHBondContact O-CG1 3.49Å; R274-I278 PolarHBondContact O-N 3.14Å; E275-I278 CarbonylContact O-C 3.6Å; E275-I278 PolarHBondContact O-N 3.39Å; N276-I278 VanDerWaalsContact C-N 3.32Å; N276-I278 PolarHBondContact O-N 3.03Å; I278-K282 HydrophobicContact CG2-CD 4Å; I278-K282 VanDerWaalsContact CG2-NZ 3.3Å; I278-K282 WeakPolarHBondContact O-CB 3.29Å; I278-K282 WeakPolarHBondContact O-CD 3.03Å; I278-K282 WeakPolarHBondContact O-CG 3.43Å; I278-K282 PolarHBondContact O-N 2.91Å |
| 279 | Q | 98.8 | Very high | 98.7 | Very high | 98 Ų | 98 | 102.5 Ų | 102.5 | 46% | 0.458 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -72.7 | -37.2 | 176.9 | -65.7 | -69.4 | -11.4 | 0 | 0 | 112.3 | E275 N276 E277 K282 S283 | E275-Q279 HydrophobicContact CG-CG 4.33Å; E275-Q279 WeakPolarHBondContact O-CB 3.49Å; E275-Q279 WeakPolarHBondContact O-CG 3.42Å; E275-Q279 PolarHBondContact O-N 3.31Å; E275-Q279 PolarHBondContact OE1-NE2 3.2Å; N276-Q279 PolarHBondContact O-N 2.98Å; E277-Q279 PolarHBondContact O-N 3.1Å; Q279-K282 PolarHBondContact O-N 3.23Å; Q279-S283 PolarHBondContact O-N 3.43Å |
| 280 | E | 98.8 | Very high | 98.8 | Very high | 133 Ų | 133 | 102.3 Ų | 102.3 | 62% | 0.621 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.3 | -48.7 | 170.7 | -175.6 | 171.2 | -157.2 | 0 | 0 | 110.6 | N276 E277 K282 S283 Q284 | N276-E280 PolarHBondContact O-N 3.35Å; E277-E280 PolarHBondContact O-N 3.17Å; E280-K282 PolarHBondContact O-N 3.26Å; E280-S283 WeakPolarHBondContact O-CB 3.37Å; E280-S283 PolarHBondContact O-N 2.71Å; E280-S283 VanDerWaalsContact O-N 3.08Å; E280-S283 PolarHBondContact O-OG 2.77Å; E280-Q284 PolarHBondContact O-N 3.23Å |
| 281 | L | 98.8 | Very high | 98.8 | Very high | 92 Ų | 92 | 100.5 Ų | 100.5 | 48% | 0.482 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.8 | -37.4 | 177.7 | -70.1 | 172.3 | 0 | 0 | 0 | 112.9 | E277 Q284 L285 | E277-L281 HydrophobicContact CG-CD1 4.09Å; E277-L281 WeakPolarHBondContact O-CB 3.28Å; E277-L281 VanDerWaalsContact O-CG 3.29Å; E277-L281 WeakPolarHBondContact O-CG 3.42Å; E277-L281 PolarHBondContact O-N 3.24Å; L281-Q284 PolarHBondContact O-N 2.99Å; L281-L285 WeakPolarHBondContact O-CB 3.38Å; L281-L285 PolarHBondContact O-N 3.4Å |
| 282 | K | 98.8 | Very high | 98.8 | Very high | 91 Ų | 91 | 103.3 Ų | 103.3 | 40% | 0.396 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.2 | -47.3 | 169.3 | -76.1 | 159.3 | -178.6 | 161.9 | 0 | 110.5 | E275 I278 Q279 E280 Q284 L285 C286 | E275-K282 IonicContact OE1-NZ 3.52Å; E275-K282 PolarHBondContact OE1-NZ 3.04Å; I278-K282 HydrophobicContact CG2-CD 4Å; I278-K282 VanDerWaalsContact CG2-NZ 3.3Å; I278-K282 WeakPolarHBondContact O-CB 3.29Å; I278-K282 WeakPolarHBondContact O-CD 3.03Å; I278-K282 WeakPolarHBondContact O-CG 3.43Å; I278-K282 PolarHBondContact O-N 2.91Å; Q279-K282 PolarHBondContact O-N 3.23Å; E280-K282 PolarHBondContact O-N 3.26Å; K282-Q284 VanDerWaalsContact C-N 3.31Å; K282-Q284 PolarHBondContact O-N 3.49Å; K282-L285 PolarHBondContact O-N 2.95Å; K282-C286 PolarHBondContact O-N 3.4Å; K282-C286 PolarHBondContact O-SG 3.22Å |
| 283 | S | 98.8 | Very high | 98.8 | Very high | 48 Ų | 48 | 101.7 Ų | 101.7 | 34% | 0.336 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.6 | -31.1 | 179 | 84.6 | 0 | 0 | 0 | 0 | 113.5 | Q279 E280 R287 | Q279-S283 PolarHBondContact O-N 3.43Å; E280-S283 WeakPolarHBondContact O-CB 3.37Å; E280-S283 PolarHBondContact O-N 2.71Å; E280-S283 VanDerWaalsContact O-N 3.08Å; E280-S283 PolarHBondContact O-OG 2.77Å; S283-R287 PolarHBondContact O-N 2.64Å; S283-R287 PolarHBondContact O-NE 3.43Å; S283-R287 PolarHBondContact OG-NH2 3.24Å |
| 284 | Q | 98.9 | Very high | 98.8 | Very high | 91 Ų | 91 | 102.4 Ų | 102.4 | 43% | 0.425 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -72.8 | -42.5 | 173.8 | -176.5 | 179.8 | -13.2 | 0 | 0 | 110.8 | E280 L281 K282 C286 R287 M288 | E280-Q284 PolarHBondContact O-N 3.23Å; L281-Q284 PolarHBondContact O-N 2.99Å; K282-Q284 VanDerWaalsContact C-N 3.31Å; K282-Q284 PolarHBondContact O-N 3.49Å; Q284-C286 VanDerWaalsContact C-N 3.33Å; Q284-C286 PolarHBondContact O-N 2.92Å; Q284-R287 PolarHBondContact O-N 2.83Å; Q284-M288 HydrophobicContact CG-CG 4.32Å; Q284-M288 HydrophobicContact CG-SD 3.93Å; Q284-M288 WeakPolarHBondContact O-CB 3.43Å; Q284-M288 WeakPolarHBondContact O-CG 3.31Å; Q284-M288 PolarHBondContact O-N 3.13Å |
| 285 | L | 98.9 | Very high | 98.8 | Very high | 124 Ų | 124 | 103 Ų | 103 | 65% | 0.649 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.6 | -35.9 | 177.6 | -178.6 | 61.3 | 0 | 0 | 0 | 112.4 | L281 K282 R289 | L281-L285 WeakPolarHBondContact O-CB 3.38Å; L281-L285 PolarHBondContact O-N 3.4Å; K282-L285 PolarHBondContact O-N 2.95Å; L285-R289 VanDerWaalsContact O-CB 3.23Å; L285-R289 WeakPolarHBondContact O-CB 3.46Å; L285-R289 PolarHBondContact O-N 3.06Å; L285-R289 VanDerWaalsContact O-N 3.08Å |
| 286 | C | 98.8 | Very high | 98.7 | Very high | 64 Ų | 64 | 102.2 Ų | 102.2 | 43% | 0.432 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.7 | -62 | 167.9 | -72.5 | 0 | 0 | 0 | 0 | 110.5 | K282 Q284 M288 R289 E290 | K282-C286 PolarHBondContact O-N 3.4Å; K282-C286 PolarHBondContact O-SG 3.22Å; Q284-C286 VanDerWaalsContact C-N 3.33Å; Q284-C286 PolarHBondContact O-N 2.92Å; C286-M288 PolarHBondContact O-N 3.44Å; C286-R289 CarbonylContact O-C 3.59Å; C286-R289 WeakPolarHBondContact O-CA 3.46Å; C286-R289 VanDerWaalsContact O-CB 3.31Å; C286-R289 WeakPolarHBondContact O-CB 3.29Å; C286-R289 PolarHBondContact O-N 3.16Å; C286-E290 WeakPolarHBondContact CB-OE2 3.31Å; C286-E290 PolarHBondContact O-N 3.13Å |
| 287 | R | 98.8 | Very high | 98.7 | Very high | 136 Ų | 136 | 100.1 Ų | 100.1 | 51% | 0.513 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -50.8 | -50.9 | -180 | -74.8 | 173.5 | -75.8 | 177.9 | -1.4 | 112.7 | S283 Q284 R289 E290 D291 | S283-R287 PolarHBondContact O-N 2.64Å; S283-R287 PolarHBondContact O-NE 3.43Å; S283-R287 PolarHBondContact OG-NH2 3.24Å; Q284-R287 PolarHBondContact O-N 2.83Å; R287-R289 PolarHBondContact O-N 2.81Å; R287-E290 CarbonylContact O-C 3.55Å; R287-E290 PolarHBondContact O-N 3.14Å; R287-D291 WeakPolarHBondContact O-CB 3.47Å; R287-D291 PolarHBondContact O-N 3.14Å |
| 288 | M | 98.8 | Very high | 98.7 | Very high | 109 Ų | 109 | 100.1 Ų | 100.1 | 54% | 0.537 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.7 | -27.1 | 177.5 | -69.9 | -179.8 | 63.4 | 0 | 0 | 114.3 | Q284 C286 W292 | Q284-M288 HydrophobicContact CG-CG 4.32Å; Q284-M288 HydrophobicContact CG-SD 3.93Å; Q284-M288 WeakPolarHBondContact O-CB 3.43Å; Q284-M288 WeakPolarHBondContact O-CG 3.31Å; Q284-M288 PolarHBondContact O-N 3.13Å; C286-M288 PolarHBondContact O-N 3.44Å; M288-W292 VanDerWaalsContact O-CB 3.31Å; M288-W292 WeakPolarHBondContact O-CB 3.34Å; M288-W292 PolarHBondContact O-N 2.87Å |
| 289 | R | 98.8 | Very high | 98.7 | Very high | 142 Ų | 142 | 101.5 Ų | 101.5 | 54% | 0.536 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -77.9 | -40.8 | 173.1 | 175.4 | -167.6 | 166.5 | -77.3 | -8.8 | 111.2 | L285 C286 R287 I293 | L285-R289 VanDerWaalsContact O-CB 3.23Å; L285-R289 WeakPolarHBondContact O-CB 3.46Å; L285-R289 PolarHBondContact O-N 3.06Å; L285-R289 VanDerWaalsContact O-N 3.08Å; C286-R289 CarbonylContact O-C 3.59Å; C286-R289 WeakPolarHBondContact O-CA 3.46Å; C286-R289 VanDerWaalsContact O-CB 3.31Å; C286-R289 WeakPolarHBondContact O-CB 3.29Å; C286-R289 PolarHBondContact O-N 3.16Å; R287-R289 PolarHBondContact O-N 2.81Å; R289-I293 HydrophobicContact CG-CD1 4.1Å; R289-I293 WeakPolarHBondContact O-CD1 3.38Å; R289-I293 VanDerWaalsContact O-CG1 3.24Å; R289-I293 WeakPolarHBondContact O-CG1 3.29Å; R289-I293 PolarHBondContact O-N 3.03Å |
| 290 | E | 98.6 | Very high | 98.7 | Very high | 84 Ų | 84 | 100.2 Ų | 100.2 | 39% | 0.393 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.9 | -49.2 | 173.6 | -81.2 | 81.6 | -103.2 | 0 | 0 | 110.8 | C286 R287 W292 I293 E294 | C286-E290 WeakPolarHBondContact CB-OE2 3.31Å; C286-E290 PolarHBondContact O-N 3.13Å; R287-E290 CarbonylContact O-C 3.55Å; R287-E290 PolarHBondContact O-N 3.14Å; E290-W292 VanDerWaalsContact C-N 3.32Å; E290-W292 PolarHBondContact O-N 3.39Å; E290-I293 PolarHBondContact O-N 3.37Å; E290-I293 VanDerWaalsContact O-N 3.11Å; E290-E294 PolarHBondContact O-N 2.94Å |
| 291 | D | 98.8 | Very high | 98.7 | Very high | 90 Ų | 90 | 99.1 Ų | 99.1 | 48% | 0.481 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -53.4 | -47.1 | 174.7 | -58.2 | -28.8 | 0 | 0 | 0 | 111.2 | R287 I293 E294 E295 | R287-D291 WeakPolarHBondContact O-CB 3.47Å; R287-D291 PolarHBondContact O-N 3.14Å; D291-I293 PolarHBondContact O-N 3.04Å; D291-E294 PolarHBondContact O-N 2.92Å; D291-E295 PolarHBondContact O-N 3.44Å |
| 292 | W | 98.8 | Very high | 98.7 | Very high | 156 Ų | 156 | 97.5 Ų | 97.5 | 59% | 0.591 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -66.1 | -36 | 179.1 | 179 | 77.8 | 0 | 0 | 0 | 113.1 | M288 E290 E294 E296 | M288-W292 VanDerWaalsContact O-CB 3.31Å; M288-W292 WeakPolarHBondContact O-CB 3.34Å; M288-W292 PolarHBondContact O-N 2.87Å; E290-W292 VanDerWaalsContact C-N 3.32Å; E290-W292 PolarHBondContact O-N 3.39Å; W292-E294 VanDerWaalsContact C-N 3.34Å; W292-E296 VanDerWaalsContact O-CB 3.3Å; W292-E296 WeakPolarHBondContact O-CB 3.43Å; W292-E296 PolarHBondContact O-N 2.95Å |
| 293 | I | 98.8 | Very high | 98.7 | Very high | 72 Ų | 72 | 97.8 Ų | 97.8 | 37% | 0.369 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.5 | -39.4 | 174.4 | -72 | 165.7 | 0 | 0 | 0 | 110.3 | R289 E290 D291 C297 | R289-I293 HydrophobicContact CG-CD1 4.1Å; R289-I293 WeakPolarHBondContact O-CD1 3.38Å; R289-I293 VanDerWaalsContact O-CG1 3.24Å; R289-I293 WeakPolarHBondContact O-CG1 3.29Å; R289-I293 PolarHBondContact O-N 3.03Å; E290-I293 PolarHBondContact O-N 3.37Å; E290-I293 VanDerWaalsContact O-N 3.11Å; D291-I293 PolarHBondContact O-N 3.04Å; I293-C297 VanDerWaalsContact O-CB 3.27Å; I293-C297 WeakPolarHBondContact O-CB 3.44Å; I293-C297 PolarHBondContact O-N 3.21Å |
| 294 | E | 98.8 | Very high | 98.7 | Very high | 118 Ų | 118 | 100.9 Ų | 100.9 | 55% | 0.551 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68.4 | -43.7 | 177.4 | -176.8 | 168.6 | -159.4 | 0 | 0 | 112.2 | E290 D291 W292 E296 C297 H298 | E290-E294 PolarHBondContact O-N 2.94Å; D291-E294 PolarHBondContact O-N 2.92Å; W292-E294 VanDerWaalsContact C-N 3.34Å; E294-E296 PolarHBondContact O-N 3.35Å; E294-C297 PolarHBondContact O-N 3.39Å; E294-H298 VanDerWaalsContact CG-CE1 3.46Å; E294-H298 WeakPolarHBondContact CG-CE1 3.5Å; E294-H298 PolarHBondContact O-N 3.4Å; E294-H298 PolarHBondContact O-ND1 3.34Å; E294-H298 IonicContact OE1-CE1 2.71Å |
| 295 | E | 98.5 | Very high | 98.7 | Very high | 145 Ų | 145 | 99.6 Ų | 99.6 | 68% | 0.678 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.7 | -44.8 | 173.2 | -74.8 | -165.1 | 162.4 | 0 | 0 | 112.1 | D291 R299 | D291-E295 PolarHBondContact O-N 3.44Å; E295-R299 WeakPolarHBondContact O-CB 3.4Å; E295-R299 PolarHBondContact O-N 3.4Å |
| 296 | E | 98.5 | Very high | 98.7 | Very high | 68 Ų | 68 | 97.7 Ų | 97.7 | 32% | 0.318 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.4 | -33.9 | 179 | -178.3 | 63.3 | -175 | 0 | 0 | 112 | W292 E294 R299 V300 | W292-E296 VanDerWaalsContact O-CB 3.3Å; W292-E296 WeakPolarHBondContact O-CB 3.43Å; W292-E296 PolarHBondContact O-N 2.95Å; E294-E296 PolarHBondContact O-N 3.35Å; E296-R299 WeakPolarHBondContact O-CB 3.38Å; E296-R299 PolarHBondContact O-N 2.96Å; E296-R299 IonicContact OE1-CZ 2.68Å; E296-R299 IonicContact OE1-NE 3.98Å; E296-R299 PolarHBondContact OE1-NE 2.9Å; E296-R299 IonicContact OE1-NH2 3.15Å; E296-R299 PolarHBondContact OE1-NH2 2.94Å; E296-R299 IonicContact OE2-CZ 2.68Å; E296-R299 IonicContact OE2-NE 3.58Å; E296-R299 PolarHBondContact OE2-NE 2.86Å; E296-R299 IonicContact OE2-NH2 2.69Å; E296-V300 WeakPolarHBondContact O-CG2 3.36Å; E296-V300 PolarHBondContact O-N 3.17Å |
| 297 | C | 98.7 | Very high | 98.7 | Very high | 62 Ų | 62 | 101.2 Ų | 101.2 | 42% | 0.419 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.3 | -55.7 | 173.6 | -164.8 | 0 | 0 | 0 | 0 | 110.9 | I293 E294 R299 V300 E301 | I293-C297 VanDerWaalsContact O-CB 3.27Å; I293-C297 WeakPolarHBondContact O-CB 3.44Å; I293-C297 PolarHBondContact O-N 3.21Å; E294-C297 PolarHBondContact O-N 3.39Å; C297-R299 PolarHBondContact O-N 3.41Å; C297-V300 PolarHBondContact O-N 3.3Å; C297-E301 WeakPolarHBondContact O-CG 3.13Å; C297-E301 PolarHBondContact O-N 3.41Å |
| 298 | H | 98.8 | Very high | 98.7 | Very high | 105 Ų | 105 | 100.1 Ų | 100.1 | 49% | 0.486 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -55.6 | -37.7 | 175.7 | -71.5 | 117.6 | 0 | 0 | 0 | 112.2 | E294 V300 E301 A302 | E294-H298 VanDerWaalsContact CG-CE1 3.46Å; E294-H298 WeakPolarHBondContact CG-CE1 3.5Å; E294-H298 PolarHBondContact O-N 3.4Å; E294-H298 PolarHBondContact O-ND1 3.34Å; E294-H298 IonicContact OE1-CE1 2.71Å; H298-V300 VanDerWaalsContact C-N 3.34Å; H298-V300 PolarHBondContact O-N 2.84Å; H298-E301 IonicContact CD2-OE2 2.64Å; H298-E301 PolarHBondContact O-N 2.97Å; H298-A302 WeakPolarHBondContact O-CB 3.37Å; H298-A302 PolarHBondContact O-N 3.39Å |
| 299 | R | 98.8 | Very high | 98.7 | Very high | 103 Ų | 103 | 96.8 Ų | 96.8 | 39% | 0.389 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.3 | -36.9 | 175.9 | -163.6 | -161.7 | 62.1 | 61.5 | -1.7 | 112.6 | E295 E296 C297 Q303 | E295-R299 WeakPolarHBondContact O-CB 3.4Å; E295-R299 PolarHBondContact O-N 3.4Å; E296-R299 WeakPolarHBondContact O-CB 3.38Å; E296-R299 PolarHBondContact O-N 2.96Å; E296-R299 IonicContact OE1-CZ 2.68Å; E296-R299 IonicContact OE1-NE 3.98Å; E296-R299 PolarHBondContact OE1-NE 2.9Å; E296-R299 IonicContact OE1-NH2 3.15Å; E296-R299 PolarHBondContact OE1-NH2 2.94Å; E296-R299 IonicContact OE2-CZ 2.68Å; E296-R299 IonicContact OE2-NE 3.58Å; E296-R299 PolarHBondContact OE2-NE 2.86Å; E296-R299 IonicContact OE2-NH2 2.69Å; C297-R299 PolarHBondContact O-N 3.41Å; R299-Q303 VanDerWaalsContact NH1-NE2 3.17Å; R299-Q303 WeakPolarHBondContact O-CG 3.46Å; R299-Q303 PolarHBondContact O-N 2.93Å |
| 300 | V | 98.8 | Very high | 98.7 | Very high | 72 Ų | 72 | 96.1 Ų | 96.1 | 44% | 0.436 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -77.5 | -39.9 | 177.9 | 170.6 | 0 | 0 | 0 | 0 | 111.5 | E296 C297 H298 A302 Q303 L304 | E296-V300 WeakPolarHBondContact O-CG2 3.36Å; E296-V300 PolarHBondContact O-N 3.17Å; C297-V300 PolarHBondContact O-N 3.3Å; H298-V300 VanDerWaalsContact C-N 3.34Å; H298-V300 PolarHBondContact O-N 2.84Å; V300-A302 PolarHBondContact O-N 2.84Å; V300-Q303 CarbonylContact O-C 3.57Å; V300-Q303 WeakPolarHBondContact O-CA 3.39Å; V300-Q303 WeakPolarHBondContact O-CB 3.3Å; V300-Q303 PolarHBondContact O-N 2.98Å; V300-L304 PolarHBondContact O-N 2.68Å |
| 301 | E | 98.6 | Very high | 98.7 | Very high | 110 Ų | 110 | 97.4 Ų | 97.4 | 51% | 0.514 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 175.5 | -69.1 | 179.3 | 161.4 | 0 | 0 | 112.2 | C297 H298 Q303 L304 S305 | C297-E301 WeakPolarHBondContact O-CG 3.13Å; C297-E301 PolarHBondContact O-N 3.41Å; H298-E301 IonicContact CD2-OE2 2.64Å; H298-E301 PolarHBondContact O-N 2.97Å; E301-Q303 VanDerWaalsContact C-N 3.25Å; E301-Q303 PolarHBondContact O-N 2.71Å; E301-L304 PolarHBondContact O-N 2.94Å; E301-L304 VanDerWaalsContact O-N 3.17Å; E301-S305 PolarHBondContact O-N 3.29Å; E301-S305 PolarHBondContact O-OG 2.95Å |
| 302 | A | 98.7 | Very high | 98.7 | Very high | 58 Ų | 58 | 98.1 Ų | 98.1 | 48% | 0.479 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.6 | -31.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | H298 V300 S305 L306 | H298-A302 WeakPolarHBondContact O-CB 3.37Å; H298-A302 PolarHBondContact O-N 3.39Å; V300-A302 PolarHBondContact O-N 2.84Å; A302-S305 WeakPolarHBondContact CA-OG 3.36Å; A302-S305 PolarHBondContact O-OG 3.4Å; A302-L306 VanDerWaalsContact O-CB 3.23Å; A302-L306 WeakPolarHBondContact O-CB 3.14Å; A302-L306 PolarHBondContact O-N 2.91Å |
| 303 | Q | 98.7 | Very high | 98.7 | Very high | 96 Ų | 96 | 95 Ų | 95 | 45% | 0.449 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -77.4 | -30.2 | 174.1 | -76.6 | -176.1 | -19.3 | 0 | 0 | 113.3 | R299 V300 E301 K307 | R299-Q303 VanDerWaalsContact NH1-NE2 3.17Å; R299-Q303 WeakPolarHBondContact O-CG 3.46Å; R299-Q303 PolarHBondContact O-N 2.93Å; V300-Q303 CarbonylContact O-C 3.57Å; V300-Q303 WeakPolarHBondContact O-CA 3.39Å; V300-Q303 WeakPolarHBondContact O-CB 3.3Å; V300-Q303 PolarHBondContact O-N 2.98Å; E301-Q303 VanDerWaalsContact C-N 3.25Å; E301-Q303 PolarHBondContact O-N 2.71Å; Q303-K307 VanDerWaalsContact O-CG 3.29Å; Q303-K307 WeakPolarHBondContact O-CG 3.49Å; Q303-K307 PolarHBondContact O-N 2.92Å |
| 304 | L | 98.7 | Very high | 98.7 | Very high | 113 Ų | 113 | 98.8 Ų | 98.8 | 59% | 0.592 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -73.6 | -51.8 | 177.6 | -176.6 | 60 | 0 | 0 | 0 | 111.1 | V300 E301 L306 K307 E308 | V300-L304 PolarHBondContact O-N 2.68Å; E301-L304 PolarHBondContact O-N 2.94Å; E301-L304 VanDerWaalsContact O-N 3.17Å; L304-L306 VanDerWaalsContact C-N 3.29Å; L304-L306 PolarHBondContact O-N 2.97Å; L304-K307 WeakPolarHBondContact O-CA 3.42Å; L304-K307 WeakPolarHBondContact O-CB 3.48Å; L304-K307 PolarHBondContact O-N 3.46Å; L304-E308 PolarHBondContact O-N 3.08Å |
| 305 | S | 98.8 | Very high | 98.7 | Very high | 65 Ų | 65 | 98.1 Ų | 98.1 | 46% | 0.455 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57.2 | -39.5 | 175.2 | 51 | 0 | 0 | 0 | 0 | 112.4 | E301 A302 K307 E308 A309 | E301-S305 PolarHBondContact O-N 3.29Å; E301-S305 PolarHBondContact O-OG 2.95Å; A302-S305 WeakPolarHBondContact CA-OG 3.36Å; A302-S305 PolarHBondContact O-OG 3.4Å; S305-K307 PolarHBondContact O-N 2.81Å; S305-E308 PolarHBondContact O-N 3.4Å; S305-A309 WeakPolarHBondContact O-CB 3.46Å; S305-A309 PolarHBondContact O-N 3.03Å |
| 306 | L | 98.8 | Very high | 98.7 | Very high | 83 Ų | 83 | 96.5 Ų | 96.5 | 44% | 0.435 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.8 | -34.7 | 172.9 | -179.9 | 60.4 | 0 | 0 | 0 | 113.2 | A302 L304 R310 | A302-L306 VanDerWaalsContact O-CB 3.23Å; A302-L306 WeakPolarHBondContact O-CB 3.14Å; A302-L306 PolarHBondContact O-N 2.91Å; L304-L306 VanDerWaalsContact C-N 3.29Å; L304-L306 PolarHBondContact O-N 2.97Å; L306-R310 HydrophobicContact CD1-CG 4.44Å; L306-R310 WeakPolarHBondContact O-CB 3.49Å; L306-R310 VanDerWaalsContact O-CD 3.3Å; L306-R310 WeakPolarHBondContact O-CD 3.38Å; L306-R310 WeakPolarHBondContact O-CG 3.47Å; L306-R310 PolarHBondContact O-N 2.68Å; L306-R310 VanDerWaalsContact O-N 3.16Å |
| 307 | K | 98.8 | Very high | 98.7 | Very high | 138 Ų | 138 | 101.3 Ų | 101.3 | 60% | 0.6 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -69.9 | -37.1 | 174.4 | -76.9 | 170 | 179.8 | 177.3 | 0 | 111.6 | Q303 L304 S305 K311 | Q303-K307 VanDerWaalsContact O-CG 3.29Å; Q303-K307 WeakPolarHBondContact O-CG 3.49Å; Q303-K307 PolarHBondContact O-N 2.92Å; L304-K307 WeakPolarHBondContact O-CA 3.42Å; L304-K307 WeakPolarHBondContact O-CB 3.48Å; L304-K307 PolarHBondContact O-N 3.46Å; S305-K307 PolarHBondContact O-N 2.81Å; K307-K311 PolarHBondContact O-N 3.43Å; K307-K311 VanDerWaalsContact O-N 3.13Å |
| 308 | E | 98.6 | Very high | 98.7 | Very high | 113 Ų | 113 | 105 Ų | 105 | 53% | 0.528 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.8 | -53 | 176.7 | -175.5 | 154.8 | -127.2 | 0 | 0 | 111.8 | L304 S305 R310 K311 E312 | L304-E308 PolarHBondContact O-N 3.08Å; S305-E308 PolarHBondContact O-N 3.4Å; E308-R310 PolarHBondContact O-N 3Å; E308-K311 WeakPolarHBondContact O-CA 3.28Å; E308-K311 VanDerWaalsContact O-CB 3.26Å; E308-K311 WeakPolarHBondContact O-CB 3.41Å; E308-K311 PolarHBondContact O-N 3.14Å; E308-E312 PolarHBondContact O-N 3.29Å |
| 309 | A | 98.7 | Very high | 98.7 | Very high | 40 Ų | 40 | 103.7 Ų | 103.7 | 33% | 0.331 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -56.1 | -37.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S305 K311 E312 I313 | S305-A309 WeakPolarHBondContact O-CB 3.46Å; S305-A309 PolarHBondContact O-N 3.03Å; A309-K311 VanDerWaalsContact C-N 3.32Å; A309-K311 PolarHBondContact O-N 3.41Å; A309-E312 PolarHBondContact O-N 2.9Å; A309-I313 WeakPolarHBondContact O-CB 3.43Å; A309-I313 WeakPolarHBondContact O-CD1 3.44Å; A309-I313 WeakPolarHBondContact O-CG1 3.48Å; A309-I313 PolarHBondContact O-N 3.43Å |
| 310 | R | 98.7 | Very high | 98.7 | Very high | 127 Ų | 127 | 103.4 Ų | 103.4 | 48% | 0.479 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.7 | -29.5 | 172.9 | -77.1 | 169.8 | 174.3 | 176.7 | -3.8 | 113.5 | L306 E308 R314 | L306-R310 HydrophobicContact CD1-CG 4.44Å; L306-R310 WeakPolarHBondContact O-CB 3.49Å; L306-R310 VanDerWaalsContact O-CD 3.3Å; L306-R310 WeakPolarHBondContact O-CD 3.38Å; L306-R310 WeakPolarHBondContact O-CG 3.47Å; L306-R310 PolarHBondContact O-N 2.68Å; L306-R310 VanDerWaalsContact O-N 3.16Å; E308-R310 PolarHBondContact O-N 3Å; R310-R314 WeakPolarHBondContact O-CG 3.49Å; R310-R314 VanDerWaalsContact O-CZ 3.29Å; R310-R314 PolarHBondContact O-N 2.91Å; R310-R314 PolarHBondContact O-NH1 3.25Å |
| 311 | K | 98.7 | Very high | 98.6 | Very high | 111 Ų | 111 | 103.8 Ų | 103.8 | 48% | 0.483 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -73.2 | -46.6 | 173.3 | 179.1 | -167.2 | 168.5 | -165.5 | 0 | 110.4 | K307 E308 A309 I313 R314 Q315 | K307-K311 PolarHBondContact O-N 3.43Å; K307-K311 VanDerWaalsContact O-N 3.13Å; E308-K311 WeakPolarHBondContact O-CA 3.28Å; E308-K311 VanDerWaalsContact O-CB 3.26Å; E308-K311 WeakPolarHBondContact O-CB 3.41Å; E308-K311 PolarHBondContact O-N 3.14Å; A309-K311 VanDerWaalsContact C-N 3.32Å; A309-K311 PolarHBondContact O-N 3.41Å; K311-I313 PolarHBondContact O-N 3.27Å; K311-R314 PolarHBondContact O-N 3.46Å; K311-R314 VanDerWaalsContact O-N 3.14Å; K311-Q315 WeakPolarHBondContact O-CG 3.24Å; K311-Q315 PolarHBondContact O-N 2.84Å |
| 312 | E | 98.5 | Very high | 98.6 | Very high | 106 Ų | 106 | 102.5 Ų | 102.5 | 50% | 0.495 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.8 | -46 | 176.3 | -65.6 | -177.2 | 161 | 0 | 0 | 111.7 | E308 A309 R314 Q315 L316 | E308-E312 PolarHBondContact O-N 3.29Å; A309-E312 PolarHBondContact O-N 2.9Å; E312-R314 VanDerWaalsContact C-N 3.28Å; E312-R314 PolarHBondContact O-N 3.26Å; E312-Q315 PolarHBondContact O-N 2.95Å; E312-Q315 VanDerWaalsContact O-N 3.08Å; E312-L316 WeakPolarHBondContact O-CB 3.28Å; E312-L316 WeakPolarHBondContact O-CG 3.43Å; E312-L316 PolarHBondContact O-N 2.9Å |
| 313 | I | 98.6 | Very high | 98.6 | Very high | 90 Ų | 90 | 105.4 Ų | 105.4 | 46% | 0.462 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.7 | -38.9 | 176.1 | -71.1 | 164.2 | 0 | 0 | 0 | 111.7 | A309 K311 R317 | A309-I313 WeakPolarHBondContact O-CB 3.43Å; A309-I313 WeakPolarHBondContact O-CD1 3.44Å; A309-I313 WeakPolarHBondContact O-CG1 3.48Å; A309-I313 PolarHBondContact O-N 3.43Å; K311-I313 PolarHBondContact O-N 3.27Å; I313-R317 WeakPolarHBondContact O-CB 3.32Å; I313-R317 VanDerWaalsContact O-CG 3.28Å; I313-R317 WeakPolarHBondContact O-CG 3.38Å; I313-R317 PolarHBondContact O-N 3.32Å |
| 314 | R | 98.6 | Very high | 98.6 | Very high | 152 Ų | 152 | 105.6 Ų | 105.6 | 57% | 0.574 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.6 | -42.2 | 174.4 | -74 | -172.9 | -61.5 | -89.3 | -1.2 | 112.1 | R310 K311 E312 R317 Q318 | R310-R314 WeakPolarHBondContact O-CG 3.49Å; R310-R314 VanDerWaalsContact O-CZ 3.29Å; R310-R314 PolarHBondContact O-N 2.91Å; R310-R314 PolarHBondContact O-NH1 3.25Å; K311-R314 PolarHBondContact O-N 3.46Å; K311-R314 VanDerWaalsContact O-N 3.14Å; E312-R314 VanDerWaalsContact C-N 3.28Å; E312-R314 PolarHBondContact O-N 3.26Å; R314-R317 PolarHBondContact O-N 3.38Å; R314-Q318 PolarHBondContact O-N 3.3Å |
| 315 | Q | 98.6 | Very high | 98.5 | Very high | 103 Ų | 103 | 104 Ų | 104 | 48% | 0.481 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.3 | -45 | 177 | -68.2 | 175.2 | -69.8 | 0 | 0 | 111.3 | K311 E312 Q318 V319 | K311-Q315 WeakPolarHBondContact O-CG 3.24Å; K311-Q315 PolarHBondContact O-N 2.84Å; E312-Q315 PolarHBondContact O-N 2.95Å; E312-Q315 VanDerWaalsContact O-N 3.08Å; Q315-Q318 PolarHBondContact O-N 3.43Å; Q315-V319 WeakPolarHBondContact O-CG2 3.19Å; Q315-V319 PolarHBondContact O-N 3.29Å |
| 316 | L | 98.8 | Very high | 98.5 | Very high | 112 Ų | 112 | 103.2 Ų | 103.2 | 59% | 0.586 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.5 | -42.8 | 175.7 | -69.5 | 171.7 | 0 | 0 | 0 | 112.1 | E312 Q318 V319 V320 | E312-L316 WeakPolarHBondContact O-CB 3.28Å; E312-L316 WeakPolarHBondContact O-CG 3.43Å; E312-L316 PolarHBondContact O-N 2.9Å; L316-Q318 VanDerWaalsContact C-N 3.32Å; L316-Q318 PolarHBondContact O-N 2.88Å; L316-V319 PolarHBondContact O-N 3.31Å; L316-V320 WeakPolarHBondContact O-CG2 3.29Å; L316-V320 PolarHBondContact O-N 2.8Å |
| 317 | R | 98.6 | Very high | 98.5 | Very high | 169 Ų | 169 | 104 Ų | 104 | 64% | 0.638 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -56.7 | -44.7 | 172.2 | -79 | 176.2 | 178.6 | -166.5 | -0.2 | 111.7 | I313 R314 V320 E321 | I313-R317 WeakPolarHBondContact O-CB 3.32Å; I313-R317 VanDerWaalsContact O-CG 3.28Å; I313-R317 WeakPolarHBondContact O-CG 3.38Å; I313-R317 PolarHBondContact O-N 3.32Å; R314-R317 PolarHBondContact O-N 3.38Å; R317-V320 PolarHBondContact O-N 2.79Å; R317-E321 WeakPolarHBondContact O-CB 3.13Å; R317-E321 PolarHBondContact O-N 3.17Å |
| 318 | Q | 98.6 | Very high | 98.4 | Very high | 138 Ų | 138 | 102.1 Ų | 102.1 | 65% | 0.645 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -69.3 | -35.2 | 179.7 | -168.1 | 167.8 | 9.8 | 0 | 0 | 112.8 | R314 Q315 L316 E321 T322 | R314-Q318 PolarHBondContact O-N 3.3Å; Q315-Q318 PolarHBondContact O-N 3.43Å; L316-Q318 VanDerWaalsContact C-N 3.32Å; L316-Q318 PolarHBondContact O-N 2.88Å; Q318-E321 PolarHBondContact O-N 3.45Å; Q318-T322 WeakPolarHBondContact O-CG2 3.46Å; Q318-T322 PolarHBondContact O-N 3.38Å; Q318-T322 PolarHBondContact O-OG1 3.36Å; Q318-T322 VanDerWaalsContact O-OG1 3.13Å |
| 319 | V | 98.6 | Very high | 98.3 | Very high | 79 Ų | 79 | 103.6 Ų | 103.6 | 48% | 0.479 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.8 | -46 | 171.4 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | Q315 L316 E321 T322 M323 | Q315-V319 WeakPolarHBondContact O-CG2 3.19Å; Q315-V319 PolarHBondContact O-N 3.29Å; L316-V319 PolarHBondContact O-N 3.31Å; V319-E321 VanDerWaalsContact C-N 3.31Å; V319-E321 PolarHBondContact O-N 2.95Å; V319-T322 PolarHBondContact O-N 3.16Å; V319-T322 PolarHBondContact O-OG1 3.34Å; V319-M323 HydrophobicContact CG1-CG 4.49Å; V319-M323 HydrophobicContact CG1-SD 4.05Å; V319-M323 WeakPolarHBondContact O-CB 3.39Å; V319-M323 VanDerWaalsContact O-CG 3.31Å; V319-M323 WeakPolarHBondContact O-CG 3.26Å; V319-M323 PolarHBondContact O-N 3.25Å |
| 320 | V | 98.6 | Very high | 98.2 | Very high | 97 Ų | 97 | 108.2 Ų | 108.2 | 59% | 0.588 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.6 | -40.8 | 175.5 | 170.4 | 0 | 0 | 0 | 0 | 111.4 | L316 R317 M323 K324 | L316-V320 WeakPolarHBondContact O-CG2 3.29Å; L316-V320 PolarHBondContact O-N 2.8Å; R317-V320 PolarHBondContact O-N 2.79Å; V320-M323 PolarHBondContact O-N 3.36Å; V320-K324 WeakPolarHBondContact O-CB 3.36Å; V320-K324 PolarHBondContact O-N 3.36Å |
| 321 | E | 98.4 | Very high | 98.2 | Very high | 80 Ų | 80 | 105 Ų | 105 | 37% | 0.374 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.4 | -44.3 | 178.7 | -176.8 | 56 | -151.6 | 0 | 0 | 112.5 | R317 Q318 V319 K324 N325 | R317-E321 WeakPolarHBondContact O-CB 3.13Å; R317-E321 PolarHBondContact O-N 3.17Å; Q318-E321 PolarHBondContact O-N 3.45Å; V319-E321 VanDerWaalsContact C-N 3.31Å; V319-E321 PolarHBondContact O-N 2.95Å; E321-K324 WeakPolarHBondContact O-CB 3.44Å; E321-K324 PolarHBondContact O-N 2.93Å; E321-K324 VanDerWaalsContact OE1-CE 3.3Å; E321-K324 WeakPolarHBondContact OE1-CE 3.13Å; E321-K324 IonicContact OE1-NZ 3.77Å; E321-K324 PolarHBondContact OE1-NZ 3Å; E321-K324 WeakPolarHBondContact OE2-CE 3.44Å; E321-K324 IonicContact OE2-NZ 3.8Å; E321-K324 PolarHBondContact OE2-NZ 3.29Å; E321-N325 VanDerWaalsContact O-CG 3.27Å; E321-N325 PolarHBondContact O-N 2.82Å; E321-N325 PolarHBondContact O-ND2 3.49Å; E321-N325 VanDerWaalsContact O-ND2 3.17Å; E321-N325 PolarHBondContact OE1-ND2 2.99Å; E321-N325 PolarHBondContact OE1-OD1 3.49Å |
| 322 | T | 98.2 | Very high | 98.1 | Very high | 83 Ų | 83 | 106.4 Ų | 106.4 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.8 | -39 | 174.3 | 54.4 | 0 | 0 | 0 | 0 | 112.1 | Q318 V319 N325 S326 | Q318-T322 WeakPolarHBondContact O-CG2 3.46Å; Q318-T322 PolarHBondContact O-N 3.38Å; Q318-T322 PolarHBondContact O-OG1 3.36Å; Q318-T322 VanDerWaalsContact O-OG1 3.13Å; V319-T322 PolarHBondContact O-N 3.16Å; V319-T322 PolarHBondContact O-OG1 3.34Å; T322-N325 PolarHBondContact O-N 2.98Å; T322-S326 PolarHBondContact O-N 2.96Å |
| 323 | M | 98.6 | Very high | 98 | Very high | 119 Ų | 119 | 102.7 Ų | 102.7 | 59% | 0.586 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.9 | -47 | 172.8 | -73.7 | 179.9 | 67.5 | 0 | 0 | 111.8 | V319 V320 N325 S326 L327 | V319-M323 HydrophobicContact CG1-CG 4.49Å; V319-M323 HydrophobicContact CG1-SD 4.05Å; V319-M323 WeakPolarHBondContact O-CB 3.39Å; V319-M323 VanDerWaalsContact O-CG 3.31Å; V319-M323 WeakPolarHBondContact O-CG 3.26Å; V319-M323 PolarHBondContact O-N 3.25Å; V320-M323 PolarHBondContact O-N 3.36Å; M323-N325 VanDerWaalsContact C-N 3.32Å; M323-N325 PolarHBondContact O-N 2.8Å; M323-S326 PolarHBondContact O-N 2.89Å; M323-S326 PolarHBondContact O-OG 3.19Å; M323-L327 PolarHBondContact O-N 2.84Å |
| 324 | K | 98.3 | Very high | 98 | Very high | 100 Ų | 100 | 102.4 Ų | 102.4 | 44% | 0.435 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -55.2 | -47 | 175.6 | -173 | -160.7 | 76.2 | -167.2 | 0 | 111.1 | V320 E321 S326 L327 M328 | V320-K324 WeakPolarHBondContact O-CB 3.36Å; V320-K324 PolarHBondContact O-N 3.36Å; E321-K324 WeakPolarHBondContact O-CB 3.44Å; E321-K324 PolarHBondContact O-N 2.93Å; E321-K324 VanDerWaalsContact OE1-CE 3.3Å; E321-K324 WeakPolarHBondContact OE1-CE 3.13Å; E321-K324 IonicContact OE1-NZ 3.77Å; E321-K324 PolarHBondContact OE1-NZ 3Å; E321-K324 WeakPolarHBondContact OE2-CE 3.44Å; E321-K324 IonicContact OE2-NZ 3.8Å; E321-K324 PolarHBondContact OE2-NZ 3.29Å; K324-S326 PolarHBondContact O-N 2.83Å; K324-L327 WeakPolarHBondContact O-CB 3.38Å; K324-L327 PolarHBondContact O-N 3.46Å; K324-L327 VanDerWaalsContact O-N 3.14Å; K324-M328 WeakPolarHBondContact O-CG 3.22Å; K324-M328 PolarHBondContact O-N 2.95Å |
| 325 | N | 97.8 | Very high | 98 | Very high | 79 Ų | 79 | 101 Ų | 101 | 42% | 0.422 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.5 | -36.1 | -178.6 | -65.5 | -26.2 | 0 | 0 | 0 | 112 | E321 T322 M323 L327 M328 E329 | E321-N325 VanDerWaalsContact O-CG 3.27Å; E321-N325 PolarHBondContact O-N 2.82Å; E321-N325 PolarHBondContact O-ND2 3.49Å; E321-N325 VanDerWaalsContact O-ND2 3.17Å; E321-N325 PolarHBondContact OE1-ND2 2.99Å; E321-N325 PolarHBondContact OE1-OD1 3.49Å; T322-N325 PolarHBondContact O-N 2.98Å; M323-N325 VanDerWaalsContact C-N 3.32Å; M323-N325 PolarHBondContact O-N 2.8Å; N325-L327 VanDerWaalsContact C-N 3.3Å; N325-L327 PolarHBondContact O-N 3.29Å; N325-M328 PolarHBondContact O-N 3.13Å; N325-E329 PolarHBondContact O-N 3.18Å |
| 326 | S | 97.8 | Very high | 97.9 | Very high | 49 Ų | 49 | 101.7 Ų | 101.7 | 34% | 0.343 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.9 | -26 | 171.4 | 80.3 | 0 | 0 | 0 | 0 | 114 | T322 M323 K324 K330 | T322-S326 PolarHBondContact O-N 2.96Å; M323-S326 PolarHBondContact O-N 2.89Å; M323-S326 PolarHBondContact O-OG 3.19Å; K324-S326 PolarHBondContact O-N 2.83Å; S326-K330 WeakPolarHBondContact O-CG 3.33Å; S326-K330 PolarHBondContact O-N 2.92Å |
| 327 | L | 98 | Very high | 97.9 | Very high | 100 Ų | 100 | 103.8 Ų | 103.8 | 52% | 0.524 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -76.8 | -46.3 | 174.2 | -176.5 | 61.2 | 0 | 0 | 0 | 110.5 | M323 K324 N325 E329 K330 D331 | M323-L327 PolarHBondContact O-N 2.84Å; K324-L327 WeakPolarHBondContact O-CB 3.38Å; K324-L327 PolarHBondContact O-N 3.46Å; K324-L327 VanDerWaalsContact O-N 3.14Å; N325-L327 VanDerWaalsContact C-N 3.3Å; N325-L327 PolarHBondContact O-N 3.29Å; L327-E329 PolarHBondContact O-N 3.44Å; L327-K330 CarbonylContact O-C 3.58Å; L327-K330 WeakPolarHBondContact O-CA 3.46Å; L327-K330 WeakPolarHBondContact O-CB 3.29Å; L327-K330 PolarHBondContact O-N 3.38Å; L327-D331 PolarHBondContact O-N 2.97Å |
| 328 | M | 96.7 | Very high | 97.9 | Very high | 98 Ų | 98 | 102.7 Ų | 102.7 | 48% | 0.483 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.3 | -32.4 | 173.6 | -70.2 | -63.7 | -60 | 0 | 0 | 112.9 | K324 N325 K332 | K324-M328 WeakPolarHBondContact O-CG 3.22Å; K324-M328 PolarHBondContact O-N 2.95Å; N325-M328 PolarHBondContact O-N 3.13Å; M328-K332 WeakPolarHBondContact O-CG 3.26Å; M328-K332 PolarHBondContact O-N 3.04Å |
| 329 | E | 96.9 | Very high | 97.9 | Very high | 144 Ų | 144 | 100.9 Ų | 100.9 | 67% | 0.673 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.6 | -44.1 | 172.4 | -175.1 | 175.2 | -152.2 | 0 | 0 | 112.2 | N325 L327 K332 G333 | N325-E329 PolarHBondContact O-N 3.18Å; L327-E329 PolarHBondContact O-N 3.44Å; E329-K332 PolarHBondContact O-N 3.16Å; E329-G333 PolarHBondContact O-N 2.95Å |
| 330 | K | 97.1 | Very high | 97.9 | Very high | 136 Ų | 136 | 99.7 Ų | 99.7 | 59% | 0.591 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.5 | -38.3 | 175.3 | -72.9 | 171.3 | -178.1 | 172.7 | 0 | 112.3 | S326 L327 K332 G333 I334 | S326-K330 WeakPolarHBondContact O-CG 3.33Å; S326-K330 PolarHBondContact O-N 2.92Å; L327-K330 CarbonylContact O-C 3.58Å; L327-K330 WeakPolarHBondContact O-CA 3.46Å; L327-K330 WeakPolarHBondContact O-CB 3.29Å; L327-K330 PolarHBondContact O-N 3.38Å; K330-K332 VanDerWaalsContact C-N 3.33Å; K330-K332 PolarHBondContact O-N 3.11Å; K330-G333 CarbonylContact O-C 3.54Å; K330-G333 WeakPolarHBondContact O-CA 3.43Å; K330-G333 PolarHBondContact O-N 2.9Å; K330-I334 WeakPolarHBondContact O-CG1 3.37Å; K330-I334 PolarHBondContact O-N 3.33Å |
| 331 | D | 98.1 | Very high | 97.9 | Very high | 59 Ų | 59 | 99.2 Ų | 99.2 | 32% | 0.316 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.1 | -37.5 | 177.3 | -71.5 | -13.9 | 0 | 0 | 0 | 111.6 | L327 G333 I334 Q335 | L327-D331 PolarHBondContact O-N 2.97Å; D331-G333 VanDerWaalsContact C-N 3.32Å; D331-G333 PolarHBondContact O-N 3.37Å; D331-I334 PolarHBondContact O-N 3.26Å; D331-Q335 WeakPolarHBondContact O-CB 3.49Å; D331-Q335 VanDerWaalsContact O-CG 3.29Å; D331-Q335 WeakPolarHBondContact O-CG 3.42Å; D331-Q335 PolarHBondContact O-N 3.04Å |
| 332 | K | 97.4 | Very high | 97.8 | Very high | 141 Ų | 141 | 99.7 Ų | 99.7 | 61% | 0.613 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.4 | -39.9 | 169.2 | -70.5 | 168.1 | -176.2 | 179.1 | 0 | 111.9 | M328 E329 K330 Q335 K336 | M328-K332 WeakPolarHBondContact O-CG 3.26Å; M328-K332 PolarHBondContact O-N 3.04Å; E329-K332 PolarHBondContact O-N 3.16Å; K330-K332 VanDerWaalsContact C-N 3.33Å; K330-K332 PolarHBondContact O-N 3.11Å; K332-Q335 PolarHBondContact O-N 3.3Å; K332-K336 PolarHBondContact O-N 2.93Å |
| 333 | G | 97 | Very high | 97.8 | Very high | 29 Ų | 29 | 99.4 Ų | 99.4 | 30% | 0.299 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E329 K330 D331 K336 Y337 | E329-G333 PolarHBondContact O-N 2.95Å; K330-G333 CarbonylContact O-C 3.54Å; K330-G333 WeakPolarHBondContact O-CA 3.43Å; K330-G333 PolarHBondContact O-N 2.9Å; D331-G333 VanDerWaalsContact C-N 3.32Å; D331-G333 PolarHBondContact O-N 3.37Å; G333-K336 WeakPolarHBondContact O-CB 3.4Å; G333-K336 PolarHBondContact O-N 3.3Å; G333-Y337 WeakPolarHBondContact O-CD2 3.37Å; G333-Y337 PolarHBondContact O-N 3.07Å; G333-Y337 VanDerWaalsContact O-N 3.12Å |
| 334 | I | 97.7 | Very high | 97.8 | Very high | 84 Ų | 84 | 99.5 Ų | 99.5 | 43% | 0.431 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.6 | -45.4 | 176.2 | -67.4 | 164.9 | 0 | 0 | 0 | 110.9 | K330 D331 K336 Y337 F338 | K330-I334 WeakPolarHBondContact O-CG1 3.37Å; K330-I334 PolarHBondContact O-N 3.33Å; D331-I334 PolarHBondContact O-N 3.26Å; I334-K336 VanDerWaalsContact C-N 3.3Å; I334-K336 PolarHBondContact O-N 3.04Å; I334-Y337 PolarHBondContact O-N 3.35Å; I334-Y337 VanDerWaalsContact O-N 3.12Å; I334-F338 HydrophobicContact CG2-CD2 3.91Å; I334-F338 HydrophobicContact CG2-CE2 3.73Å; I334-F338 WeakPolarHBondContact O-CD2 3.22Å; I334-F338 PolarHBondContact O-N 3.4Å |
| 335 | Q | 97.9 | Very high | 97.8 | Very high | 121 Ų | 121 | 98.4 Ų | 98.4 | 57% | 0.565 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -58 | -41 | 174.2 | -72.8 | 171.9 | 9.2 | 0 | 0 | 111.8 | D331 K332 Y337 F338 I339 | D331-Q335 WeakPolarHBondContact O-CB 3.49Å; D331-Q335 VanDerWaalsContact O-CG 3.29Å; D331-Q335 WeakPolarHBondContact O-CG 3.42Å; D331-Q335 PolarHBondContact O-N 3.04Å; K332-Q335 PolarHBondContact O-N 3.3Å; Q335-Y337 PolarHBondContact O-N 2.94Å; Q335-F338 PolarHBondContact O-N 3.07Å; Q335-I339 WeakPolarHBondContact O-CG1 3.46Å; Q335-I339 PolarHBondContact O-N 2.62Å |
| 336 | K | 97.8 | Very high | 97.8 | Very high | 119 Ų | 119 | 102.9 Ų | 102.9 | 52% | 0.517 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.8 | -46.4 | 173.5 | -168.7 | -168.2 | 178.4 | -82.5 | 0 | 111.6 | K332 G333 I334 F338 I339 D340 | K332-K336 PolarHBondContact O-N 2.93Å; G333-K336 WeakPolarHBondContact O-CB 3.4Å; G333-K336 PolarHBondContact O-N 3.3Å; I334-K336 VanDerWaalsContact C-N 3.3Å; I334-K336 PolarHBondContact O-N 3.04Å; K336-F338 VanDerWaalsContact C-N 3.33Å; K336-F338 PolarHBondContact O-N 3.39Å; K336-I339 PolarHBondContact O-N 3.45Å; K336-I339 VanDerWaalsContact O-N 3.14Å; K336-D340 IonicContact NZ-OD1 2.76Å; K336-D340 IonicContact NZ-OD2 3.61Å; K336-D340 PolarHBondContact NZ-OD2 2.91Å; K336-D340 PolarHBondContact O-N 3.45Å |
| 337 | Y | 98.1 | Very high | 97.9 | Very high | 156 Ų | 156 | 107.2 Ų | 107.2 | 61% | 0.612 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.5 | -38.8 | 177.1 | -68.7 | -59.5 | 0 | 0 | 0 | 112.5 | G333 I334 Q335 I339 D340 I341 | G333-Y337 WeakPolarHBondContact O-CD2 3.37Å; G333-Y337 PolarHBondContact O-N 3.07Å; G333-Y337 VanDerWaalsContact O-N 3.12Å; I334-Y337 PolarHBondContact O-N 3.35Å; I334-Y337 VanDerWaalsContact O-N 3.12Å; Q335-Y337 PolarHBondContact O-N 2.94Å; Y337-I339 VanDerWaalsContact C-N 3.35Å; Y337-I339 PolarHBondContact O-N 2.96Å; Y337-D340 PolarHBondContact O-N 3Å; Y337-I341 WeakPolarHBondContact O-CB 3.24Å; Y337-I341 WeakPolarHBondContact O-CD1 3.3Å; Y337-I341 WeakPolarHBondContact O-CG1 3.36Å; Y337-I341 PolarHBondContact O-N 3.43Å |
| 338 | F | 98.4 | Very high | 97.9 | Very high | 146 Ų | 146 | 107.5 Ų | 107.5 | 64% | 0.64 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.8 | -40.3 | 173 | -84.5 | -73.4 | 0 | 0 | 0 | 112.7 | I334 Q335 K336 N342 | I334-F338 HydrophobicContact CG2-CD2 3.91Å; I334-F338 HydrophobicContact CG2-CE2 3.73Å; I334-F338 WeakPolarHBondContact O-CD2 3.22Å; I334-F338 PolarHBondContact O-N 3.4Å; Q335-F338 PolarHBondContact O-N 3.07Å; K336-F338 VanDerWaalsContact C-N 3.33Å; K336-F338 PolarHBondContact O-N 3.39Å; F338-N342 VanDerWaalsContact O-CB 3.29Å; F338-N342 WeakPolarHBondContact O-CB 3.48Å; F338-N342 PolarHBondContact O-N 3.49Å |
| 339 | I | 98.1 | Very high | 97.9 | Very high | 100 Ų | 100 | 108.7 Ų | 108.7 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.9 | -48.1 | 175.8 | -66.6 | 163.5 | 0 | 0 | 0 | 110.6 | Q335 K336 Y337 I341 N342 I343 | Q335-I339 WeakPolarHBondContact O-CG1 3.46Å; Q335-I339 PolarHBondContact O-N 2.62Å; K336-I339 PolarHBondContact O-N 3.45Å; K336-I339 VanDerWaalsContact O-N 3.14Å; Y337-I339 VanDerWaalsContact C-N 3.35Å; Y337-I339 PolarHBondContact O-N 2.96Å; I339-I341 PolarHBondContact O-N 3.32Å; I339-N342 PolarHBondContact O-N 2.93Å; I339-I343 HydrophobicContact CG2-CD1 3.76Å; I339-I343 HydrophobicContact CG2-CG1 4.5Å; I339-I343 VanDerWaalsContact O-CG1 3.31Å; I339-I343 WeakPolarHBondContact O-CG1 3.43Å; I339-I343 PolarHBondContact O-N 3.27Å |
| 340 | D | 98.4 | Very high | 98 | Very high | 54 Ų | 54 | 105.9 Ų | 105.9 | 29% | 0.289 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.5 | -43 | 179.5 | -72.3 | -27.5 | 0 | 0 | 0 | 111.4 | K336 Y337 I343 Q344 | K336-D340 IonicContact NZ-OD1 2.76Å; K336-D340 IonicContact NZ-OD2 3.61Å; K336-D340 PolarHBondContact NZ-OD2 2.91Å; K336-D340 PolarHBondContact O-N 3.45Å; Y337-D340 PolarHBondContact O-N 3Å; D340-I343 PolarHBondContact O-N 2.82Å; D340-Q344 WeakPolarHBondContact O-CG 3.47Å; D340-Q344 PolarHBondContact O-N 3.28Å |
| 341 | I | 98.3 | Very high | 98 | Very high | 87 Ų | 87 | 105 Ų | 105 | 45% | 0.446 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64 | -44.6 | 175.6 | -70.7 | 165.1 | 0 | 0 | 0 | 111.1 | Y337 I339 I343 Q344 N345 | Y337-I341 WeakPolarHBondContact O-CB 3.24Å; Y337-I341 WeakPolarHBondContact O-CD1 3.3Å; Y337-I341 WeakPolarHBondContact O-CG1 3.36Å; Y337-I341 PolarHBondContact O-N 3.43Å; I339-I341 PolarHBondContact O-N 3.32Å; I341-I343 VanDerWaalsContact C-N 3.33Å; I341-I343 PolarHBondContact O-N 3.41Å; I341-Q344 PolarHBondContact O-N 2.82Å; I341-Q344 VanDerWaalsContact O-N 3.13Å; I341-N345 PolarHBondContact O-N 2.91Å |
| 342 | N | 98.1 | Very high | 98 | Very high | 89 Ų | 89 | 107.2 Ų | 107.2 | 48% | 0.476 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.6 | -39.1 | 178.6 | -168.4 | 3.3 | 0 | 0 | 0 | 111.6 | F338 I339 N345 R346 | F338-N342 VanDerWaalsContact O-CB 3.29Å; F338-N342 WeakPolarHBondContact O-CB 3.48Å; F338-N342 PolarHBondContact O-N 3.49Å; I339-N342 PolarHBondContact O-N 2.93Å; N342-N345 PolarHBondContact O-N 3.5Å; N342-R346 PolarHBondContact O-N 3.33Å |
| 343 | I | 98.3 | Very high | 97.9 | Very high | 78 Ų | 78 | 105.3 Ų | 105.3 | 40% | 0.4 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.7 | -37.9 | 172.8 | -68.8 | 167.4 | 0 | 0 | 0 | 111.4 | I339 D340 I341 K347 | I339-I343 HydrophobicContact CG2-CD1 3.76Å; I339-I343 HydrophobicContact CG2-CG1 4.5Å; I339-I343 VanDerWaalsContact O-CG1 3.31Å; I339-I343 WeakPolarHBondContact O-CG1 3.43Å; I339-I343 PolarHBondContact O-N 3.27Å; D340-I343 PolarHBondContact O-N 2.82Å; I341-I343 VanDerWaalsContact C-N 3.33Å; I341-I343 PolarHBondContact O-N 3.41Å; I343-K347 HydrophobicContact CG2-CD 4.36Å; I343-K347 VanDerWaalsContact O-CG 3.32Å; I343-K347 WeakPolarHBondContact O-CG 3.23Å; I343-K347 PolarHBondContact O-N 2.9Å |
| 344 | Q | 98.4 | Very high | 97.9 | Very high | 120 Ų | 120 | 107.6 Ų | 107.6 | 56% | 0.561 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.8 | -42.3 | 174.6 | -74.2 | -178.9 | 7 | 0 | 0 | 112.1 | D340 I341 K347 L348 | D340-Q344 WeakPolarHBondContact O-CG 3.47Å; D340-Q344 PolarHBondContact O-N 3.28Å; I341-Q344 PolarHBondContact O-N 2.82Å; I341-Q344 VanDerWaalsContact O-N 3.13Å; Q344-K347 WeakPolarHBondContact O-CB 3.38Å; Q344-K347 PolarHBondContact O-N 3.01Å; Q344-K347 VanDerWaalsContact O-N 3.15Å; Q344-L348 WeakPolarHBondContact O-CG 3.3Å; Q344-L348 PolarHBondContact O-N 3.07Å |
| 345 | N | 98 | Very high | 97.8 | Very high | 77 Ų | 77 | 108.5 Ų | 108.5 | 41% | 0.412 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.5 | -46.9 | 176 | -71.8 | -5.3 | 0 | 0 | 0 | 111.5 | I341 N342 K347 L348 E349 | I341-N345 PolarHBondContact O-N 2.91Å; N342-N345 PolarHBondContact O-N 3.5Å; N345-K347 VanDerWaalsContact C-N 3.26Å; N345-K347 PolarHBondContact O-N 3.17Å; N345-L348 CarbonylContact O-C 3.59Å; N345-L348 WeakPolarHBondContact O-CA 3.45Å; N345-L348 WeakPolarHBondContact O-CB 3.48Å; N345-L348 PolarHBondContact O-N 3.23Å; N345-E349 WeakPolarHBondContact O-CG 3.47Å; N345-E349 PolarHBondContact O-N 3.35Å |
| 346 | R | 98.1 | Very high | 97.6 | Very high | 173 Ų | 173 | 107.4 Ų | 107.4 | 65% | 0.653 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59 | -34.3 | 174 | -77.1 | -175.2 | 171.4 | -167.1 | -3.2 | 113.8 | N342 S350 | N342-R346 PolarHBondContact O-N 3.33Å; R346-S350 VanDerWaalsContact O-CB 3.28Å; R346-S350 WeakPolarHBondContact O-CB 3.46Å; R346-S350 PolarHBondContact O-N 3.38Å |
| 347 | K | 98.3 | Very high | 97.3 | Very high | 140 Ų | 140 | 106.7 Ų | 106.7 | 61% | 0.609 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -69.5 | -37.4 | 173.9 | -73.7 | 170.4 | -179.8 | 179.6 | 0 | 111.9 | I343 Q344 N345 L351 | I343-K347 HydrophobicContact CG2-CD 4.36Å; I343-K347 VanDerWaalsContact O-CG 3.32Å; I343-K347 WeakPolarHBondContact O-CG 3.23Å; I343-K347 PolarHBondContact O-N 2.9Å; Q344-K347 WeakPolarHBondContact O-CB 3.38Å; Q344-K347 PolarHBondContact O-N 3.01Å; Q344-K347 VanDerWaalsContact O-N 3.15Å; N345-K347 VanDerWaalsContact C-N 3.26Å; N345-K347 PolarHBondContact O-N 3.17Å; K347-L351 VanDerWaalsContact O-CB 3.25Å; K347-L351 WeakPolarHBondContact O-CB 3.45Å; K347-L351 PolarHBondContact O-N 3.25Å |
| 348 | L | 98.4 | Very high | 97 | Very high | 107 Ų | 107 | 102.9 Ų | 102.9 | 56% | 0.56 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.7 | -43.2 | 174.9 | -70.1 | 165.8 | 0 | 0 | 0 | 111.6 | Q344 N345 L351 L352 | Q344-L348 WeakPolarHBondContact O-CG 3.3Å; Q344-L348 PolarHBondContact O-N 3.07Å; N345-L348 CarbonylContact O-C 3.59Å; N345-L348 WeakPolarHBondContact O-CA 3.45Å; N345-L348 WeakPolarHBondContact O-CB 3.48Å; N345-L348 PolarHBondContact O-N 3.23Å; L348-L351 PolarHBondContact O-N 3.41Å; L348-L352 VanDerWaalsContact O-CB 3.27Å; L348-L352 WeakPolarHBondContact O-CB 3.45Å; L348-L352 PolarHBondContact O-N 3.35Å |
| 349 | E | 97.6 | Very high | 96.3 | Very high | 123 Ų | 123 | 102.1 Ų | 102.1 | 58% | 0.575 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.1 | -49.5 | 172.6 | -70.5 | 163.3 | -178.7 | 0 | 0 | 111.1 | N345 L351 L352 H353 | N345-E349 WeakPolarHBondContact O-CG 3.47Å; N345-E349 PolarHBondContact O-N 3.35Å; E349-L351 PolarHBondContact O-N 3.21Å; E349-L352 PolarHBondContact O-N 3.38Å; E349-H353 WeakPolarHBondContact O-CB 3.14Å; E349-H353 PolarHBondContact O-N 3.04Å |
| 350 | S | 97.8 | Very high | 95.2 | Very high | 84 Ų | 84 | 100.7 Ų | 100.7 | 59% | 0.587 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.5 | -37.5 | 178 | 179.5 | 0 | 0 | 0 | 0 | 113.1 | R346 S354 | R346-S350 VanDerWaalsContact O-CB 3.28Å; R346-S350 WeakPolarHBondContact O-CB 3.46Å; R346-S350 PolarHBondContact O-N 3.38Å; S350-S354 WeakPolarHBondContact O-CB 3.25Å; S350-S354 PolarHBondContact O-N 3.31Å |
| 351 | L | 98.1 | Very high | 93.4 | Very high | 117 Ų | 117 | 101.6 Ų | 101.6 | 61% | 0.613 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67 | -42.9 | 174.6 | 176.9 | 62.7 | 0 | 0 | 0 | 111.4 | K347 L348 E349 S354 M355 | K347-L351 VanDerWaalsContact O-CB 3.25Å; K347-L351 WeakPolarHBondContact O-CB 3.45Å; K347-L351 PolarHBondContact O-N 3.25Å; L348-L351 PolarHBondContact O-N 3.41Å; E349-L351 PolarHBondContact O-N 3.21Å; L351-S354 PolarHBondContact O-N 2.84Å; L351-M355 WeakPolarHBondContact O-CB 3.26Å; L351-M355 PolarHBondContact O-N 3.08Å |
| 352 | L | 97.1 | Very high | 91.2 | Very high | 106 Ų | 106 | 102.6 Ų | 102.6 | 56% | 0.555 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.6 | -43.3 | 179.3 | -173.8 | 139.5 | 0 | 0 | 0 | 111.2 | L348 E349 M355 E356 | L348-L352 VanDerWaalsContact O-CB 3.27Å; L348-L352 WeakPolarHBondContact O-CB 3.45Å; L348-L352 PolarHBondContact O-N 3.35Å; E349-L352 PolarHBondContact O-N 3.38Å; L352-M355 WeakPolarHBondContact O-CB 3.45Å; L352-M355 PolarHBondContact O-N 3.31Å; L352-E356 WeakPolarHBondContact O-CB 3.47Å; L352-E356 PolarHBondContact O-N 2.86Å |
| 353 | H | 96.3 | Very high | 88.9 | Confident | 102 Ų | 102 | 102.1 Ų | 102.1 | 47% | 0.472 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.3 | -35.5 | 174.7 | -168.2 | 52.4 | 0 | 0 | 0 | 112.3 | E349 M355 E356 L357 | E349-H353 WeakPolarHBondContact O-CB 3.14Å; E349-H353 PolarHBondContact O-N 3.04Å; H353-M355 VanDerWaalsContact C-N 3.32Å; H353-M355 PolarHBondContact O-N 3.38Å; H353-E356 IonicContact CE1-OE2 2.68Å; H353-E356 IonicContact CG-OE2 2.96Å; H353-E356 IonicContact ND1-OE2 3.5Å; H353-E356 PolarHBondContact ND1-OE2 3.33Å; H353-E356 PolarHBondContact O-N 2.9Å; H353-L357 WeakPolarHBondContact O-CB 3.45Å; H353-L357 WeakPolarHBondContact O-CG 3.46Å; H353-L357 PolarHBondContact O-N 3.04Å |
| 354 | S | 95.8 | Very high | 86.7 | Confident | 77 Ų | 77 | 105.3 Ų | 105.3 | 54% | 0.538 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66.1 | -33.6 | 172.1 | -173.6 | 0 | 0 | 0 | 0 | 112.9 | S350 L351 A358 | S350-S354 WeakPolarHBondContact O-CB 3.25Å; S350-S354 PolarHBondContact O-N 3.31Å; L351-S354 PolarHBondContact O-N 2.84Å; S354-A358 WeakPolarHBondContact O-CB 3.27Å; S354-A358 PolarHBondContact O-N 2.9Å |
| 355 | M | 95.9 | Very high | 84.2 | Confident | 103 Ų | 103 | 107.6 Ų | 107.6 | 51% | 0.507 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -73 | -40.1 | 174.9 | -178.1 | 179.9 | 67.5 | 0 | 0 | 111.4 | L351 L352 H353 A358 Q359 | L351-M355 WeakPolarHBondContact O-CB 3.26Å; L351-M355 PolarHBondContact O-N 3.08Å; L352-M355 WeakPolarHBondContact O-CB 3.45Å; L352-M355 PolarHBondContact O-N 3.31Å; H353-M355 VanDerWaalsContact C-N 3.32Å; H353-M355 PolarHBondContact O-N 3.38Å; M355-A358 PolarHBondContact O-N 2.77Å; M355-Q359 WeakPolarHBondContact O-CG 3.34Å; M355-Q359 PolarHBondContact O-N 3.21Å |
| 356 | E | 94.2 | Very high | 81.8 | Confident | 97 Ų | 97 | 110.7 Ų | 110.7 | 45% | 0.453 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -59.5 | -46.7 | 173.2 | 176.6 | -179.7 | -135.4 | 0 | 0 | 111.7 | L352 H353 A358 Q359 S360 | L352-E356 WeakPolarHBondContact O-CB 3.47Å; L352-E356 PolarHBondContact O-N 2.86Å; H353-E356 IonicContact CE1-OE2 2.68Å; H353-E356 IonicContact CG-OE2 2.96Å; H353-E356 IonicContact ND1-OE2 3.5Å; H353-E356 PolarHBondContact ND1-OE2 3.33Å; H353-E356 PolarHBondContact O-N 2.9Å; E356-A358 VanDerWaalsContact C-N 3.33Å; E356-A358 PolarHBondContact O-N 3.25Å; E356-Q359 PolarHBondContact O-N 2.99Å; E356-S360 VanDerWaalsContact O-CB 3.31Å; E356-S360 WeakPolarHBondContact O-CB 3.4Å; E356-S360 PolarHBondContact O-N 2.97Å; E356-S360 PolarHBondContact O-OG 3.49Å |
| 357 | L | 92.6 | Very high | 79.3 | Confident | 105 Ų | 105 | 109.9 Ų | 109.9 | 55% | 0.55 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -62.4 | -38.9 | 174.6 | -72 | 170.3 | 0 | 0 | 0 | 112.1 | H353 Q359 S360 G361 | H353-L357 WeakPolarHBondContact O-CB 3.45Å; H353-L357 WeakPolarHBondContact O-CG 3.46Å; H353-L357 PolarHBondContact O-N 3.04Å; L357-Q359 VanDerWaalsContact C-N 3.32Å; L357-Q359 PolarHBondContact O-N 3.4Å; L357-S360 PolarHBondContact O-N 2.96Å; L357-G361 PolarHBondContact O-N 3.07Å |
| 358 | A | 91.4 | Very high | 77.2 | Confident | 76 Ų | 76 | 106 Ų | 106 | 63% | 0.628 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.2 | -28.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S354 M355 E356 | S354-A358 WeakPolarHBondContact O-CB 3.27Å; S354-A358 PolarHBondContact O-N 2.9Å; M355-A358 PolarHBondContact O-N 2.77Å; E356-A358 VanDerWaalsContact C-N 3.33Å; E356-A358 PolarHBondContact O-N 3.25Å |
| 359 | Q | 82.8 | Confident | 74.9 | Confident | 129 Ų | 129 | 105.3 Ų | 105.3 | 60% | 0.603 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -81.9 | -42.4 | 173.1 | -70 | 178.9 | 4.8 | 0 | 0 | 111.7 | M355 E356 L357 G361 S362 | M355-Q359 WeakPolarHBondContact O-CG 3.34Å; M355-Q359 PolarHBondContact O-N 3.21Å; E356-Q359 PolarHBondContact O-N 2.99Å; L357-Q359 VanDerWaalsContact C-N 3.32Å; L357-Q359 PolarHBondContact O-N 3.4Å; Q359-G361 PolarHBondContact O-N 3.47Å; Q359-S362 WeakPolarHBondContact O-CB 3.46Å; Q359-S362 PolarHBondContact O-N 2.72Å |
| 360 | S | 74.8 | Confident | 72.6 | Confident | 70 Ų | 70 | 107.2 Ų | 107.2 | 49% | 0.49 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -58.9 | -31.7 | 174.5 | -59.5 | 0 | 0 | 0 | 0 | 112.2 | E356 L357 S362 A363 | E356-S360 VanDerWaalsContact O-CB 3.31Å; E356-S360 WeakPolarHBondContact O-CB 3.4Å; E356-S360 PolarHBondContact O-N 2.97Å; E356-S360 PolarHBondContact O-OG 3.49Å; L357-S360 PolarHBondContact O-N 2.96Å; S360-S362 PolarHBondContact O-N 3.49Å; S360-A363 WeakPolarHBondContact O-CB 3.37Å; S360-A363 PolarHBondContact O-N 2.68Å |
| 361 | G | 61.5 | Low | 70.2 | Confident | 73 Ų | 73 | 109.7 Ų | 109.7 | 75% | 0.753 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -6.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | L357 Q359 | L357-G361 PolarHBondContact O-N 3.07Å; Q359-G361 PolarHBondContact O-N 3.47Å |
| 362 | S | 52 | Low | 67.4 | Low | 109 Ų | 109 | 113.2 Ų | 113.2 | 76% | 0.762 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | -3.3 | 171.2 | -171.6 | 0 | 0 | 0 | 0 | 113.5 | Q359 S360 L364 | Q359-S362 WeakPolarHBondContact O-CB 3.46Å; Q359-S362 PolarHBondContact O-N 2.72Å; S360-S362 PolarHBondContact O-N 3.49Å; S362-L364 PolarHBondContact O-N 3.2Å |
| 363 | A | 50.7 | Low | 64.7 | Low | 79 Ų | 79 | 114.3 Ų | 114.3 | 65% | 0.653 | 66% | 0.662 | S | S | * | * | trans | -88.5 | 87.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | S360 Q365 | S360-A363 WeakPolarHBondContact O-CB 3.37Å; S360-A363 PolarHBondContact O-N 2.68Å; A363-Q365 PolarHBondContact O-N 3.18Å | ||
| 364 | L | 51.8 | Low | 61.7 | Low | 144 Ų | 144 | 115.6 Ų | 115.6 | 75% | 0.754 | 68% | 0.68 | S | S | * | * | trans | -69.5 | 114.8 | 173.3 | -133.7 | 172.7 | 0 | 0 | 0 | 109.7 | S362 D366 | S362-L364 PolarHBondContact O-N 3.2Å; L364-D366 HydrophobicContact CD2-CB 3.55Å | ||
| 365 | Q | 45.8 | Very low | 58.7 | Low | 169 Ų | 169 | 118.9 Ų | 118.9 | 79% | 0.79 | 69% | 0.692 | S | S | * | * | trans | -121.7 | 127.6 | 150.1 | -72.9 | -175.6 | -19.9 | 0 | 0 | 106.1 | A363 E367 | A363-Q365 PolarHBondContact O-N 3.18Å; Q365-E367 HydrophobicContact CG-CB 4.35Å | ||
| 366 | D | 46.1 | Very low | 56 | Low | 141 Ų | 141 | 117.3 Ų | 117.3 | 75% | 0.754 | 70% | 0.702 | S | S | * | * | cis | 37.6 | 60.8 | -9 | -141 | 29.3 | 0 | 0 | 0 | 118.5 | L364 | L364-D366 HydrophobicContact CD2-CB 3.55Š| ||
| 367 | E | 45.9 | Very low | 53.8 | Low | 156 Ų | 156 | 118.1 Ų | 118.1 | 73% | 0.729 | 72% | 0.716 | S | S | * | * | trans | -123.3 | 77 | 143.7 | -113.2 | -66.7 | 163.3 | 0 | 0 | 106.1 | Q365 | Q365-E367 HydrophobicContact CG-CB 4.35Š| ||
| 368 | G | 54.9 | Low | 51.2 | Low | 60 Ų | 60 | 122.5 Ų | 122.5 | 62% | 0.619 | 73% | 0.734 | S | S | * | * | trans | -96.4 | 115.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 369 | A | 50.1 | Low | 48.5 | Very low | 92 Ų | 92 | 122.9 Ų | 122.9 | 76% | 0.76 | 75% | 0.745 | S | S | * | * | trans | 63.6 | 103.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 370 | L | 49.5 | Very low | 46.2 | Very low | 162 Ų | 162 | 119.8 Ų | 119.8 | 85% | 0.848 | 75% | 0.748 | S | S | * | * | -147.5 | 114.6 | 129.9 | -117 | 166.9 | 0 | 0 | 0 | 111.4 | |||||
| 371 | D | 46.1 | Very low | 44.4 | Very low | 137 Ų | 137 | 123.8 Ų | 123.8 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | -62.4 | 140.9 | 166.2 | -66.2 | -72.8 | 0 | 0 | 0 | 110.6 | ||||
| 372 | F | 39.2 | Very low | 43.7 | Very low | 191 Ų | 191 | 129.1 Ų | 129.1 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | trans | -153.3 | 80.3 | 143.9 | -123.9 | -74 | 0 | 0 | 0 | 113.9 | ||||
| 373 | I | 41.3 | Very low | 43.1 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 66% | 0.662 | 77% | 0.771 | S | S | * | * | 19.5 | 118.3 | 129.2 | -52.1 | 166.5 | 0 | 0 | 0 | 116.4 | |||||
| 374 | C | 34.3 | Very low | 42.5 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 87% | 0.865 | 78% | 0.775 | S | S | * | * | trans | -154.2 | 147.2 | 133.7 | -151.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 375 | D | 32.5 | Very low | 41.5 | Very low | 146 Ų | 146 | 137.9 Ų | 137.9 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | trans | -80.5 | 174.1 | -169.6 | -60.4 | -86.7 | 0 | 0 | 0 | 115 | ||||
| 376 | G | 37.8 | Very low | 40.9 | Very low | 70 Ų | 70 | 133 Ų | 133 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | trans | -75.4 | -158.4 | 166 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 377 | P | 49.3 | Very low | 40.4 | Very low | 115 Ų | 115 | 132.4 Ų | 132.4 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | cis | -142.8 | 178.1 | 34.2 | 42.4 | -23.4 | 0 | 0 | 0 | 117.4 | ||||
| 378 | E | 36.8 | Very low | 40.1 | Very low | 196 Ų | 196 | 133.4 Ų | 133.4 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | trans | 46.1 | 137.9 | 143.8 | -71.9 | 179.8 | 116 | 0 | 0 | 124.4 | ||||
| 379 | G | 35.9 | Very low | 39 | Very low | 85 Ų | 85 | 136 Ų | 136 | 88% | 0.876 | 78% | 0.781 | S | S | * | * | trans | 129.9 | 98 | 148.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 380 | G | 35 | Very low | 38.1 | Very low | 63 Ų | 63 | 142.3 Ų | 142.3 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | cis | 174.2 | 160.9 | -4.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 381 | D | 36.7 | Very low | 37.2 | Very low | 154 Ų | 154 | 137.2 Ų | 137.2 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | trans | 61.3 | 151.4 | 168 | -41.3 | -33 | 0 | 0 | 0 | 118.2 | ||||
| 382 | K | 45.2 | Very low | 37 | Very low | 186 Ų | 186 | 138.7 Ų | 138.7 | 81% | 0.809 | 78% | 0.779 | S | S | * | * | cis | -149.1 | 129.2 | 24.4 | -67.2 | 163.7 | -179 | 128.4 | 0 | 112 | ||||
| 383 | K | 39.3 | Very low | 36.7 | Very low | 199 Ų | 199 | 137.8 Ų | 137.8 | 87% | 0.865 | 78% | 0.777 | S | S | * | * | 54.2 | 136.6 | 130 | -163.7 | -177.5 | -172.3 | 177.6 | 0 | 119.9 | |||||
| 384 | L | 39 | Very low | 36.4 | Very low | 142 Ų | 142 | 140.3 Ų | 140.3 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | cis | 178.2 | 153.7 | -12.1 | -178.8 | 82.2 | 0 | 0 | 0 | 107.8 | ||||
| 385 | M | 31.1 | Very low | 36.3 | Very low | 175 Ų | 175 | 137.5 Ų | 137.5 | 86% | 0.862 | 78% | 0.781 | S | S | * | * | trans | 85 | 131.6 | 153.4 | -134.8 | 76.2 | 168.6 | 0 | 0 | 120.4 | ||||
| 386 | G | 32.9 | Very low | 36.7 | Very low | 65 Ų | 65 | 138 Ų | 138 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | trans | 113 | 103.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 387 | V | 36.6 | Very low | 37.2 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 78% | 0.782 | 79% | 0.786 | S | S | * | * | cis | 71.9 | 107.5 | 35.8 | -170.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 388 | E | 38.1 | Very low | 36.3 | Very low | 177 Ų | 177 | 138 Ų | 138 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | cis | -143 | 146.7 | 20.3 | -51.2 | -173.3 | 149.6 | 0 | 0 | 111.2 | ||||
| 389 | D | 31.5 | Very low | 36.8 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 62% | 0.615 | 78% | 0.783 | S | S | * | * | 78.4 | 133.5 | 93 | -169.4 | 39 | 0 | 0 | 0 | 118.6 | |||||
| 390 | R | 32.8 | Very low | 37.1 | Very low | 224 Ų | 224 | 137.9 Ų | 137.9 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | trans | 55.5 | 154.4 | 174.7 | -87 | 167.7 | -83.7 | -148.8 | -4.7 | 118.1 | ||||
| 391 | G | 29.8 | Very low | 38 | Very low | 56 Ų | 56 | 139.8 Ų | 139.8 | 58% | 0.577 | 79% | 0.788 | S | S | * | * | cis | 163.8 | 171.1 | -3.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 392 | L | 42 | Very low | 38.6 | Very low | 168 Ų | 168 | 140.5 Ų | 140.5 | 88% | 0.88 | 79% | 0.789 | S | S | * | * | trans | 69.1 | 122.3 | -175.2 | -42.2 | 178.2 | 0 | 0 | 0 | 112.8 | ||||
| 393 | E | 31.9 | Very low | 38.6 | Very low | 171 Ų | 171 | 136 Ų | 136 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | cis | 81.5 | 128.4 | 29.6 | -154 | -170.6 | 166.5 | 0 | 0 | 115.3 | ||||
| 394 | M | 36 | Very low | 38.6 | Very low | 182 Ų | 182 | 133.3 Ų | 133.3 | 90% | 0.897 | 78% | 0.781 | S | S | * | * | trans | 76.5 | 144.3 | 162.4 | -146.4 | 59.4 | 143.6 | 0 | 0 | 119.1 | ||||
| 395 | G | 32.3 | Very low | 38.8 | Very low | 70 Ų | 70 | 132.2 Ų | 132.2 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | 120 | 69.8 | 152.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 396 | N | 40.6 | Very low | 39.5 | Very low | 155 Ų | 155 | 127.3 Ų | 127.3 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | trans | -81.9 | 150.2 | 138.7 | -172 | 41.3 | 0 | 0 | 0 | 106.6 | ||||
| 397 | P | 48.3 | Very low | 39.7 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | cis | -138.1 | -166.9 | 13.3 | 44.6 | -25.9 | 0 | 0 | 0 | 115.5 | ||||
| 398 | G | 31.3 | Very low | 40.2 | Very low | 68 Ų | 68 | 133.3 Ų | 133.3 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | 132.8 | 122.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 399 | A | 46.3 | Very low | 40.6 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | cis | 80.1 | 81.2 | 38.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 400 | E | 42.1 | Very low | 41.3 | Very low | 170 Ų | 170 | 129.7 Ų | 129.7 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | -123.1 | 137.1 | 162.3 | -70.2 | -163.7 | 173.2 | 0 | 0 | 110.9 | ||||
| 401 | A | 54 | Low | 42 | Very low | 103 Ų | 103 | 126.2 Ų | 126.2 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | trans | -110.4 | 127.2 | 163.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 402 | M | 49.9 | Very low | 43.1 | Very low | 169 Ų | 169 | 131.3 Ų | 131.3 | 83% | 0.833 | 79% | 0.788 | S | S | * | * | trans | -123.7 | 156.5 | 169.4 | -70.1 | -144.6 | -177.6 | 0 | 0 | 110.7 | ||||
| 403 | A | 44.3 | Very low | 43.6 | Very low | 92 Ų | 92 | 130 Ų | 130 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -97.7 | 177.4 | -155.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 404 | D | 39 | Very low | 44.6 | Very low | 141 Ų | 141 | 125.1 Ų | 125.1 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | trans | 13.9 | 125.1 | 147.5 | -169.6 | 10.7 | 0 | 0 | 0 | 118.3 | G406 | D404-G406 PolarHBondContact OD1-N 3.18Š| ||
| 405 | S | 44.1 | Very low | 45.2 | Very low | 120 Ų | 120 | 121.2 Ų | 121.2 | 84% | 0.839 | 75% | 0.75 | S | S | * | * | trans | -148.6 | 74.6 | 156.7 | -73.5 | 0 | 0 | 0 | 0 | 109.7 | L407 | S405-L407 PolarHBondContact O-N 2.87Š| ||
| 406 | G | 45.9 | Very low | 46.3 | Very low | 71 Ų | 71 | 125.5 Ų | 125.5 | 73% | 0.732 | 75% | 0.745 | S | S | * | * | trans | -58.6 | 131.2 | 161.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | D404 | D404-G406 PolarHBondContact OD1-N 3.18Š| ||
| 407 | L | 36.7 | Very low | 47 | Very low | 151 Ų | 151 | 122.9 Ų | 122.9 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | trans | -138.4 | 125.6 | 171 | -162.8 | 150.2 | 0 | 0 | 0 | 110.3 | S405 V409 | S405-L407 PolarHBondContact O-N 2.87Å; L407-V409 HydrophobicContact CD2-CG2 3.87Å; L407-V409 PolarHBondContact O-N 3.1Å | ||
| 408 | L | 48 | Very low | 47.5 | Very low | 169 Ų | 169 | 122.4 Ų | 122.4 | 89% | 0.885 | 72% | 0.718 | S | S | * | * | trans | -74.9 | 113.8 | -172.1 | -61.9 | 167.3 | 0 | 0 | 0 | 111.4 | ||||
| 409 | V | 46.9 | Very low | 48.9 | Very low | 110 Ų | 110 | 123.4 Ų | 123.4 | 67% | 0.667 | 71% | 0.707 | S | S | * | * | trans | -143.1 | 110.2 | 165.2 | -174 | 0 | 0 | 0 | 0 | 109.3 | L407 | L407-V409 HydrophobicContact CD2-CG2 3.87Å; L407-V409 PolarHBondContact O-N 3.1Å | ||
| 410 | N | 44.7 | Very low | 49.3 | Very low | 107 Ų | 107 | 125 Ų | 125 | 57% | 0.572 | 69% | 0.693 | S | S | * | * | trans | 162.4 | -4.6 | 137.3 | -87.9 | -61.3 | 0 | 0 | 0 | 115.8 | E412 M413 | N410-E412 PolarHBondContact O-N 3.43Å; N410-E412 VanDerWaalsContact O-N 3.07Å; N410-M413 PolarHBondContact O-N 3.38Å; N410-M413 VanDerWaalsContact O-N 3.11Å | ||
| 411 | D | 47 | Very low | 50.2 | Low | 150 Ų | 150 | 121.9 Ų | 121.9 | 80% | 0.802 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -19.9 | 178.1 | -71.2 | -25.2 | 0 | 0 | 0 | 114.2 | M413 A414 | D411-M413 VanDerWaalsContact C-N 3.28Å; D411-M413 PolarHBondContact O-N 3.1Å; D411-A414 PolarHBondContact O-N 2.67Å |
| 412 | E | 54.1 | Low | 50.2 | Low | 164 Ų | 164 | 122.8 Ų | 122.8 | 77% | 0.766 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -66.1 | -27.9 | 176.5 | -163.4 | 177.9 | 171.6 | 0 | 0 | 113 | N410 A414 | N410-E412 PolarHBondContact O-N 3.43Å; N410-E412 VanDerWaalsContact O-N 3.07Å; E412-A414 VanDerWaalsContact C-N 3.29Å; E412-A414 PolarHBondContact O-N 2.86Å |
| 413 | M | 52.9 | Low | 50.8 | Low | 140 Ų | 140 | 118.8 Ų | 118.8 | 69% | 0.69 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -91.6 | 24.4 | 179.4 | -57.6 | -150.4 | -53.8 | 0 | 0 | 114 | N410 D411 | N410-M413 PolarHBondContact O-N 3.38Å; N410-M413 VanDerWaalsContact O-N 3.11Å; D411-M413 VanDerWaalsContact C-N 3.28Å; D411-M413 PolarHBondContact O-N 3.1Å |
| 414 | A | 52.3 | Low | 51.4 | Low | 69 Ų | 69 | 121.7 Ų | 121.7 | 57% | 0.57 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -120 | -31 | 163 | 0 | 0 | 0 | 0 | 0 | 111.9 | D411 E412 | D411-A414 PolarHBondContact O-N 2.67Å; E412-A414 VanDerWaalsContact C-N 3.29Å; E412-A414 PolarHBondContact O-N 2.86Å |
| 415 | N | 49.4 | Very low | 52.2 | Low | 99 Ų | 99 | 121.6 Ų | 121.6 | 53% | 0.529 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -73.7 | -33 | 179.4 | -171.5 | 16.3 | 0 | 0 | 0 | 112.6 | E417 D418 I419 | N415-E417 VanDerWaalsContact C-N 3.3Å; N415-E417 PolarHBondContact O-N 3.43Å; N415-D418 PolarHBondContact O-N 3.45Å; N415-I419 WeakPolarHBondContact O-CD1 3.3Å; N415-I419 VanDerWaalsContact O-CG1 3.26Å; N415-I419 WeakPolarHBondContact O-CG1 3.24Å; N415-I419 PolarHBondContact O-N 3.06Å; N415-I419 VanDerWaalsContact O-N 3.08Å |
| 416 | R | 54.4 | Low | 52.4 | Low | 161 Ų | 161 | 119.3 Ų | 119.3 | 61% | 0.608 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65.4 | -33.8 | -174.8 | -173.6 | 172.9 | -175.3 | -113.9 | 3.5 | 112.9 | F420 | R416-F420 WeakPolarHBondContact O-CD2 3.39Å |
| 417 | E | 56.3 | Low | 52.7 | Low | 100 Ų | 100 | 121.7 Ų | 121.7 | 47% | 0.467 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -73.2 | -42.9 | -179.5 | -69.5 | 56.3 | -130.7 | 0 | 0 | 110.6 | N415 F420 E421 | N415-E417 VanDerWaalsContact C-N 3.3Å; N415-E417 PolarHBondContact O-N 3.43Å; E417-F420 PolarHBondContact O-N 3.27Å; E417-E421 PolarHBondContact O-N 2.86Å |
| 418 | D | 57.5 | Low | 53 | Low | 108 Ų | 108 | 118.7 Ų | 118.7 | 58% | 0.578 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67.5 | -39.7 | 179.6 | -146.9 | 27.4 | 0 | 0 | 0 | 111.3 | N415 F420 E421 Q422 | N415-D418 PolarHBondContact O-N 3.45Å; D418-F420 PolarHBondContact O-N 2.86Å; D418-E421 PolarHBondContact O-N 3.08Å; D418-Q422 VanDerWaalsContact O-CB 3.25Å; D418-Q422 WeakPolarHBondContact O-CB 3.41Å; D418-Q422 PolarHBondContact O-N 3.22Å |
| 419 | I | 61.3 | Low | 53 | Low | 89 Ų | 89 | 114.5 Ų | 114.5 | 46% | 0.456 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -55.4 | -35.7 | 172.5 | -71.4 | 164.8 | 0 | 0 | 0 | 112.1 | N415 V423 | N415-I419 WeakPolarHBondContact O-CD1 3.3Å; N415-I419 VanDerWaalsContact O-CG1 3.26Å; N415-I419 WeakPolarHBondContact O-CG1 3.24Å; N415-I419 PolarHBondContact O-N 3.06Å; N415-I419 VanDerWaalsContact O-N 3.08Å; I419-V423 WeakPolarHBondContact O-CB 3.49Å; I419-V423 VanDerWaalsContact O-CG2 3.28Å; I419-V423 WeakPolarHBondContact O-CG2 3.49Å; I419-V423 PolarHBondContact O-N 2.92Å; I419-V423 VanDerWaalsContact O-N 3.1Å |
| 420 | F | 55.3 | Low | 52.2 | Low | 141 Ų | 141 | 116.9 Ų | 116.9 | 62% | 0.618 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -75 | -38 | 180 | -95.4 | -77.6 | 0 | 0 | 0 | 113.5 | R416 E417 D418 F424 | R416-F420 WeakPolarHBondContact O-CD2 3.39Å; E417-F420 PolarHBondContact O-N 3.27Å; D418-F420 PolarHBondContact O-N 2.86Å; F420-F424 PolarHBondContact O-N 3.19Å |
| 421 | E | 59.7 | Low | 51.5 | Low | 106 Ų | 106 | 122.1 Ų | 122.1 | 50% | 0.495 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -72 | -39.9 | 172.4 | -73.4 | -69.7 | 174.1 | 0 | 0 | 111.1 | E417 D418 V423 F424 M425 | E417-E421 PolarHBondContact O-N 2.86Å; D418-E421 PolarHBondContact O-N 3.08Å; E421-V423 VanDerWaalsContact C-N 3.3Å; E421-V423 PolarHBondContact O-N 2.79Å; E421-F424 WeakPolarHBondContact O-CA 3.28Å; E421-F424 WeakPolarHBondContact O-CB 3.5Å; E421-F424 PolarHBondContact O-N 3.24Å; E421-M425 WeakPolarHBondContact O-CG 3.28Å; E421-M425 PolarHBondContact O-N 3.35Å |
| 422 | Q | 54 | Low | 50.8 | Low | 121 Ų | 121 | 120.4 Ų | 120.4 | 57% | 0.565 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -54 | -45.5 | 173.7 | -172.6 | 78.5 | 59.8 | 0 | 0 | 111.1 | D418 M425 S426 | D418-Q422 VanDerWaalsContact O-CB 3.25Å; D418-Q422 WeakPolarHBondContact O-CB 3.41Å; D418-Q422 PolarHBondContact O-N 3.22Å; Q422-M425 PolarHBondContact O-N 3.04Å; Q422-S426 VanDerWaalsContact O-CB 3.28Å; Q422-S426 WeakPolarHBondContact O-CB 3.47Å; Q422-S426 PolarHBondContact O-N 3.06Å; Q422-S426 PolarHBondContact O-OG 3.48Å |
| 423 | V | 61.9 | Low | 49.9 | Very low | 85 Ų | 85 | 121 Ų | 121 | 52% | 0.515 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -67.4 | -36.8 | 176.5 | 167.8 | 0 | 0 | 0 | 0 | 112.2 | I419 E421 T427 | I419-V423 WeakPolarHBondContact O-CB 3.49Å; I419-V423 VanDerWaalsContact O-CG2 3.28Å; I419-V423 WeakPolarHBondContact O-CG2 3.49Å; I419-V423 PolarHBondContact O-N 2.92Å; I419-V423 VanDerWaalsContact O-N 3.1Å; E421-V423 VanDerWaalsContact C-N 3.3Å; E421-V423 PolarHBondContact O-N 2.79Å; V423-T427 PolarHBondContact O-N 3.11Å; V423-T427 PolarHBondContact O-OG1 3.05Å |
| 424 | F | 58.4 | Low | 48.7 | Very low | 153 Ų | 153 | 121 Ų | 121 | 67% | 0.671 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -66.2 | -38 | 175.6 | -121.2 | -85 | 0 | 0 | 0 | 112.6 | F420 E421 | F420-F424 PolarHBondContact O-N 3.19Å; E421-F424 WeakPolarHBondContact O-CA 3.28Å; E421-F424 WeakPolarHBondContact O-CB 3.5Å; E421-F424 PolarHBondContact O-N 3.24Å |
| 425 | M | 56.1 | Low | 47.6 | Very low | 139 Ų | 139 | 122.4 Ų | 122.4 | 69% | 0.685 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -75.1 | -40.9 | 175.9 | -68.2 | -175.6 | 66.7 | 0 | 0 | 112.5 | E421 Q422 T427 A428 | E421-M425 WeakPolarHBondContact O-CG 3.28Å; E421-M425 PolarHBondContact O-N 3.35Å; Q422-M425 PolarHBondContact O-N 3.04Å; M425-T427 PolarHBondContact O-N 3.22Å; M425-A428 PolarHBondContact O-N 2.97Å; M425-A428 VanDerWaalsContact O-N 3.1Å |
| 426 | S | 48.3 | Very low | 46.6 | Very low | 72 Ų | 72 | 122.5 Ų | 122.5 | 50% | 0.503 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -64 | -23.8 | -178 | -58 | 0 | 0 | 0 | 0 | 113.1 | Q422 A428 | Q422-S426 VanDerWaalsContact O-CB 3.28Å; Q422-S426 WeakPolarHBondContact O-CB 3.47Å; Q422-S426 PolarHBondContact O-N 3.06Å; Q422-S426 PolarHBondContact O-OG 3.48Å; S426-A428 PolarHBondContact O-N 3.49Å |
| 427 | T | 50.4 | Low | 45.3 | Very low | 121 Ų | 121 | 121.1 Ų | 121.1 | 74% | 0.742 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -3 | 177.6 | -51.6 | 0 | 0 | 0 | 0 | 113.2 | V423 M425 | V423-T427 PolarHBondContact O-N 3.11Å; V423-T427 PolarHBondContact O-OG1 3.05Å; M425-T427 PolarHBondContact O-N 3.22Å |
| 428 | A | 44.2 | Very low | 43.9 | Very low | 89 Ų | 89 | 127.9 Ų | 127.9 | 74% | 0.736 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.1 | -0.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | M425 S426 | M425-A428 PolarHBondContact O-N 2.97Å; M425-A428 VanDerWaalsContact O-N 3.1Å; S426-A428 PolarHBondContact O-N 3.49Å |
| 429 | A | 47 | Very low | 42.6 | Very low | 80 Ų | 80 | 132.2 Ų | 132.2 | 66% | 0.661 | 71% | 0.712 | S | S | * | * | trans | -126.4 | 58.4 | -165.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 430 | D | 30.8 | Very low | 40.9 | Very low | 160 Ų | 160 | 131.5 Ų | 131.5 | 86% | 0.856 | 73% | 0.727 | S | S | * | * | trans | -107.9 | 54 | 177.5 | -137.1 | -4.8 | 0 | 0 | 0 | 111.7 | ||||
| 431 | F | 30.9 | Very low | 40.1 | Very low | 218 Ų | 218 | 130.7 Ų | 130.7 | 96% | 0.956 | 74% | 0.736 | S | S | * | * | trans | -143.5 | 119.7 | 165 | -83.5 | -75.6 | 0 | 0 | 0 | 109.4 | ||||
| 432 | S | 32.6 | Very low | 38.5 | Very low | 113 Ų | 113 | 133 Ų | 133 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | trans | -142.4 | 151.7 | 179.5 | -169.5 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 433 | Q | 35 | Very low | 37.3 | Very low | 176 Ų | 176 | 133.5 Ų | 133.5 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | cis | -124.9 | -178.1 | 25.8 | -70.1 | 165.8 | -46.5 | 0 | 0 | 110.1 | ||||
| 434 | D | 26.1 | Very low | 35.8 | Very low | 141 Ų | 141 | 137.6 Ų | 137.6 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | cis | -151.2 | 171.9 | 24.5 | -160.5 | -4.4 | 0 | 0 | 0 | 113.2 | ||||
| 435 | S | 29.8 | Very low | 34.3 | Very low | 98 Ų | 98 | 136.5 Ų | 136.5 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | trans | -68 | 176.8 | 175.2 | 66.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 436 | S | 28.4 | Very low | 32.8 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | cis | -162.5 | 149.7 | 20.3 | -175.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 437 | C | 26.9 | Very low | 31.8 | Very low | 132 Ų | 132 | 140 Ų | 140 | 89% | 0.892 | 80% | 0.804 | S | S | * | * | trans | -155.1 | 140.6 | 155 | -119.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 438 | R | 26.6 | Very low | 30.7 | Very low | 243 Ų | 243 | 138 Ų | 138 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | trans | -89.7 | 161.1 | -173.8 | -76.5 | 177.3 | 166.9 | -107.4 | 2.7 | 113.5 | ||||
| 439 | Q | 30.9 | Very low | 30.1 | Very low | 199 Ų | 199 | 141.7 Ų | 141.7 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | trans | -97.7 | 143.6 | 172.9 | -72.9 | 178.7 | -30.9 | 0 | 0 | 113.7 | ||||
| 440 | G | 26 | Very low | 29.5 | Very low | 74 Ų | 74 | 143.9 Ų | 143.9 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | trans | 82.4 | 172 | 149.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 441 | P | 38.2 | Very low | 29.4 | Very low | 124 Ų | 124 | 141.2 Ų | 141.2 | 81% | 0.805 | 81% | 0.807 | S | S | * | * | cis | -138.5 | 169.7 | -3.1 | 43 | -26.8 | 0 | 0 | 0 | 117 | ||||
| 442 | L | 25.2 | Very low | 29.3 | Very low | 153 Ų | 153 | 137.7 Ų | 137.7 | 80% | 0.801 | 80% | 0.797 | S | S | * | * | trans | 61.5 | 129.8 | 143.2 | -164.4 | 69.8 | 0 | 0 | 0 | 122.1 | ||||
| 443 | V | 29.2 | Very low | 29.1 | Very low | 133 Ų | 133 | 137 Ų | 137 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | 173.6 | 155.3 | 122.4 | 154 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 444 | E | 30.2 | Very low | 28.9 | Very low | 171 Ų | 171 | 135.8 Ų | 135.8 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | trans | -89.7 | 171.1 | -170.5 | -47.5 | 179.9 | 143.1 | 0 | 0 | 114.2 | ||||
| 445 | T | 27.3 | Very low | 29.1 | Very low | 130 Ų | 130 | 133.8 Ų | 133.8 | 80% | 0.798 | 78% | 0.776 | S | S | * | * | 174.2 | 111.3 | 124.1 | -67.8 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 446 | E | 25.3 | Very low | 29.1 | Very low | 185 Ų | 185 | 138.1 Ų | 138.1 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | 38.8 | 149.8 | 133.5 | -130.4 | -179.8 | -172 | 0 | 0 | 126.4 | ||||
| 447 | A | 27.8 | Very low | 29.1 | Very low | 98 Ų | 98 | 140.3 Ų | 140.3 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | 85.4 | 129.5 | 141.6 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 448 | G | 26.4 | Very low | 29.2 | Very low | 79 Ų | 79 | 142 Ų | 142 | 81% | 0.814 | 78% | 0.776 | S | S | * | * | trans | 126.3 | 90 | 137.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 449 | Q | 31.3 | Very low | 29.2 | Very low | 167 Ų | 167 | 134.3 Ų | 134.3 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | trans | -104.7 | 157.4 | 148.2 | -83.3 | -139.7 | -79.6 | 0 | 0 | 110 | ||||
| 450 | P | 35.5 | Very low | 29 | Very low | 127 Ų | 127 | 135.1 Ų | 135.1 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | -140.4 | -174.2 | 109.7 | 37.9 | -24.1 | 0 | 0 | 0 | 114.6 | |||||
| 451 | V | 27.8 | Very low | 29.1 | Very low | 104 Ų | 104 | 138.7 Ų | 138.7 | 63% | 0.63 | 76% | 0.756 | S | S | * | * | trans | -149 | 163.8 | -163.4 | 159.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 452 | L | 29.2 | Very low | 28.5 | Very low | 144 Ų | 144 | 138 Ų | 138 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | trans | 71.8 | 159.9 | 173.5 | -81 | 160.3 | 0 | 0 | 0 | 116.1 | E454 | L452-E454 HydrophobicContact CD2-CG 3.9Š| ||
| 453 | S | 29.1 | Very low | 28.5 | Very low | 98 Ų | 98 | 135.5 Ų | 135.5 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | cis | -139.8 | -166.1 | 14.5 | -77.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 454 | E | 30.3 | Very low | 29.3 | Very low | 150 Ų | 150 | 135 Ų | 135 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | -170.8 | 175.3 | -51 | -84.3 | 165.2 | 93.2 | 0 | 0 | 105.5 | L452 | L452-E454 HydrophobicContact CD2-CG 3.9Š| |||
| 455 | D | 29.3 | Very low | 29.2 | Very low | 100 Ų | 100 | 131.2 Ų | 131.2 | 54% | 0.535 | 75% | 0.747 | S | S | . | * | cis | -155.2 | 177 | 2.1 | -167.2 | 2.6 | 0 | 0 | 0 | 108.6 | ||||
| 456 | R | 30.8 | Very low | 29.3 | Very low | 189 Ų | 189 | 131.2 Ų | 131.2 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | trans | 75.5 | 125.8 | 154.8 | -75.4 | 148.1 | -162.7 | -92.7 | -14.5 | 120.6 | ||||
| 457 | Q | 28.3 | Very low | 29.4 | Very low | 146 Ų | 146 | 129.1 Ų | 129.1 | 68% | 0.682 | 74% | 0.741 | S | S | * | * | cis | 85.2 | 146.7 | 44.1 | -70.4 | 171.7 | 10.8 | 0 | 0 | 114.3 | ||||
| 458 | L | 29 | Very low | 29.5 | Very low | 167 Ų | 167 | 131.3 Ų | 131.3 | 87% | 0.874 | 74% | 0.738 | S | S | * | * | cis | -172.5 | 174.7 | -32.9 | -118.8 | 177.7 | 0 | 0 | 0 | 109.4 | ||||
| 459 | A | 26.6 | Very low | 29.7 | Very low | 83 Ų | 83 | 134.1 Ų | 134.1 | 69% | 0.686 | 74% | 0.735 | S | S | * | * | trans | 77.5 | 126.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 460 | R | 25.4 | Very low | 29.5 | Very low | 215 Ų | 215 | 129.1 Ų | 129.1 | 81% | 0.811 | 72% | 0.722 | S | S | * | * | 78 | 130.2 | 59 | -87.9 | -175.7 | 79.6 | -173.4 | 1.5 | 112.3 | |||||
| 461 | E | 28.5 | Very low | 29.1 | Very low | 149 Ų | 149 | 130.9 Ų | 130.9 | 70% | 0.696 | 72% | 0.723 | S | S | * | * | cis | -134.5 | -164.2 | 12.8 | -64.5 | -145.4 | 108.1 | 0 | 0 | 111.7 | ||||
| 462 | S | 26.7 | Very low | 29.2 | Very low | 109 Ų | 109 | 130.7 Ų | 130.7 | 76% | 0.762 | 73% | 0.727 | S | S | * | * | cis | -154.2 | -122.2 | 17 | 62 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 463 | S | 25.2 | Very low | 29.1 | Very low | 101 Ų | 101 | 129.3 Ų | 129.3 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | trans | -146.6 | -175.3 | -150.4 | -32.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 464 | P | 45.6 | Very low | 28.9 | Very low | 122 Ų | 122 | 130.6 Ų | 130.6 | 79% | 0.792 | 73% | 0.733 | S | S | * | * | cis | -137.7 | 158.3 | -12.3 | 38.8 | -21.7 | 0 | 0 | 0 | 116.9 | ||||
| 465 | A | 28.7 | Very low | 28.9 | Very low | 92 Ų | 92 | 129.2 Ų | 129.2 | 76% | 0.76 | 74% | 0.735 | S | S | * | * | trans | 173.8 | 137.7 | 145.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 466 | T | 27.5 | Very low | 28.6 | Very low | 130 Ų | 130 | 131.1 Ų | 131.1 | 80% | 0.798 | 75% | 0.75 | S | S | * | * | cis | 80.8 | 118.1 | 25.2 | -50.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 467 | L | 27.6 | Very low | 28.6 | Very low | 141 Ų | 141 | 129.4 Ų | 129.4 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | cis | -172.7 | 162.6 | -17.7 | -124 | -175.4 | 0 | 0 | 0 | 108.7 | ||||
| 468 | L | 31.7 | Very low | 28.3 | Very low | 144 Ų | 144 | 128.4 Ų | 128.4 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | trans | 64 | 168 | 158.6 | -62.3 | 173.1 | 0 | 0 | 0 | 119 | ||||
| 469 | N | 29.7 | Very low | 28.2 | Very low | 139 Ų | 139 | 125.1 Ų | 125.1 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | cis | -165.7 | 166.7 | -49.7 | -150.9 | -2.1 | 0 | 0 | 0 | 111.6 | ||||
| 470 | A | 26.3 | Very low | 28.4 | Very low | 62 Ų | 62 | 129 Ų | 129 | 51% | 0.512 | 76% | 0.763 | S | S | . | * | trans | 29.3 | 138.4 | 146.6 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 471 | L | 28.6 | Very low | 28.4 | Very low | 163 Ų | 163 | 123 Ų | 123 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | -178.1 | 126.1 | 109.5 | -107.8 | 77.7 | 0 | 0 | 0 | 106.2 | |||||
| 472 | S | 28.7 | Very low | 29.1 | Very low | 101 Ų | 101 | 121.7 Ų | 121.7 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | cis | 87 | 146 | 48.6 | -63.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 473 | S | 27.4 | Very low | 29 | Very low | 115 Ų | 115 | 122.7 Ų | 122.7 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | 79.1 | 148.4 | 174 | -56.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 474 | T | 24.1 | Very low | 29.1 | Very low | 125 Ų | 125 | 125.8 Ų | 125.8 | 77% | 0.767 | 77% | 0.772 | S | S | * | * | cis | -160.2 | 160.8 | -14.3 | -100 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 475 | V | 30.2 | Very low | 28.3 | Very low | 121 Ų | 121 | 129.1 Ų | 129.1 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | trans | -48.2 | 145.5 | 174.4 | 175 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 476 | T | 24.8 | Very low | 28.1 | Very low | 140 Ų | 140 | 131.6 Ų | 131.6 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | trans | -154.6 | 143.8 | 139.2 | -5.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 477 | I | 29.7 | Very low | 28.3 | Very low | 153 Ų | 153 | 131.3 Ų | 131.3 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -98.5 | 145.3 | 167.2 | -64.8 | 168.6 | 0 | 0 | 0 | 107.2 | ||||
| 478 | S | 23.2 | Very low | 28.3 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | trans | -131.3 | 130.6 | 162.5 | -170.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 479 | S | 27 | Very low | 28.3 | Very low | 99 Ų | 99 | 132.1 Ų | 132.1 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | trans | -129.9 | 139.2 | 171.3 | 177.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 480 | N | 28.9 | Very low | 28.5 | Very low | 164 Ų | 164 | 135.5 Ų | 135.5 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | trans | -171.5 | 155.2 | 151 | -95.6 | -24.7 | 0 | 0 | 0 | 110.1 | ||||
| 481 | A | 27.2 | Very low | 28.6 | Very low | 88 Ų | 88 | 140.9 Ų | 140.9 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | -128.2 | -158.5 | 175 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 482 | P | 41.3 | Very low | 28.7 | Very low | 122 Ų | 122 | 138.3 Ų | 138.3 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | -114.7 | 173.2 | -64 | 35.7 | -25.6 | 0 | 0 | 0 | 111.4 | |||||
| 483 | C | 25 | Very low | 28.5 | Very low | 130 Ų | 130 | 141.2 Ų | 141.2 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | trans | -156.8 | 159.7 | 152.2 | -123.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 484 | H | 28.3 | Very low | 28.7 | Very low | 166 Ų | 166 | 140.8 Ų | 140.8 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -92.9 | 153.1 | 177 | -66.9 | -114.8 | 0 | 0 | 0 | 112 | ||||
| 485 | Q | 28.8 | Very low | 28.8 | Very low | 192 Ų | 192 | 141.7 Ų | 141.7 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | -160.4 | 154 | 128.7 | -113.8 | 148.5 | 89.9 | 0 | 0 | 111.9 | |||||
| 486 | N | 24.8 | Very low | 28.9 | Very low | 145 Ų | 145 | 145.7 Ų | 145.7 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | trans | -101.4 | 157.4 | 173.4 | -35.9 | -75.1 | 0 | 0 | 0 | 109.1 | ||||
| 487 | T | 30.3 | Very low | 29.6 | Very low | 124 Ų | 124 | 144.8 Ų | 144.8 | 76% | 0.761 | 80% | 0.795 | S | S | * | * | -177.9 | 124.8 | 126.6 | 32.5 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 488 | D | 29.1 | Very low | 29.8 | Very low | 145 Ų | 145 | 143.2 Ų | 143.2 | 78% | 0.775 | 80% | 0.797 | S | S | * | * | trans | 26.7 | 144.1 | 138.5 | -48.9 | -63.6 | 0 | 0 | 0 | 122.8 | ||||
| 489 | D | 31.6 | Very low | 30.5 | Very low | 156 Ų | 156 | 143.4 Ų | 143.4 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | -61.6 | 145.6 | 175.9 | -46.1 | -100.8 | 0 | 0 | 0 | 114.1 | ||||
| 490 | K | 33.9 | Very low | 31.4 | Very low | 211 Ų | 211 | 142.6 Ų | 142.6 | 92% | 0.917 | 78% | 0.781 | S | S | * | * | trans | -152.5 | 145.6 | 135.2 | -82.8 | -134 | 174.7 | -165.9 | 0 | 114.6 | ||||
| 491 | E | 28.2 | Very low | 32.6 | Very low | 175 Ų | 175 | 138 Ų | 138 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -49.1 | 155.3 | 178.2 | -87.9 | 177.8 | 101 | 0 | 0 | 120.1 | ||||
| 492 | V | 29.3 | Very low | 34 | Very low | 109 Ų | 109 | 139.6 Ų | 139.6 | 66% | 0.661 | 76% | 0.763 | S | S | * | * | trans | 92.9 | 116.7 | 136.6 | 162.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 493 | Q | 26.1 | Very low | 34.9 | Very low | 161 Ų | 161 | 138.9 Ų | 138.9 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | trans | 79.7 | 130.1 | 147.6 | -91.9 | 178.4 | -88.5 | 0 | 0 | 124 | ||||
| 494 | T | 30.7 | Very low | 36.6 | Very low | 107 Ų | 107 | 139.1 Ų | 139.1 | 66% | 0.656 | 74% | 0.74 | S | S | * | * | trans | 57.7 | 139 | 148.6 | 38.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 495 | D | 26.7 | Very low | 38 | Very low | 143 Ų | 143 | 134.5 Ų | 134.5 | 77% | 0.765 | 72% | 0.724 | S | S | * | * | cis | -145.6 | 169.3 | 35.1 | -93.1 | -52.1 | 0 | 0 | 0 | 114.8 | ||||
| 496 | F | 32.5 | Very low | 39.7 | Very low | 205 Ų | 205 | 130 Ų | 130 | 90% | 0.899 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 125.1 | 168 | -75.9 | -94.2 | 0 | 0 | 0 | 111.4 | ||
| 497 | P | 38.9 | Very low | 41.6 | Very low | 122 Ų | 122 | 128.1 Ų | 128.1 | 79% | 0.792 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 134.5 | 165.7 | 29.4 | -32.6 | 0 | 0 | 0 | 110.5 | ||
| 498 | S | 34 | Very low | 43.2 | Very low | 120 Ų | 120 | 127.9 Ų | 127.9 | 84% | 0.839 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 140.4 | -175 | 43.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 499 | I | 38.2 | Very low | 44.8 | Very low | 128 Ų | 128 | 127.3 Ų | 127.3 | 66% | 0.656 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 131.9 | 171.1 | -68.8 | 172.8 | 0 | 0 | 0 | 109 | L503 | I499-L503 HydrophobicContact CG2-CB 4.12Å; I499-L503 HydrophobicContact CG2-CD1 4.09Å |
| 500 | S | 46.4 | Very low | 46 | Very low | 81 Ų | 81 | 125.2 Ų | 125.2 | 57% | 0.566 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 137.3 | 178.8 | -179.3 | 0 | 0 | 0 | 0 | 112.1 | D502 L503 | S500-D502 PolarHBondContact O-N 3.45Å; S500-D502 VanDerWaalsContact O-N 3.11Å; S500-D502 PolarHBondContact OG-N 2.93Å; S500-L503 PolarHBondContact O-N 2.91Å; S500-L503 VanDerWaalsContact O-N 3.11Å |
| 501 | A | 53.4 | Low | 47.3 | Very low | 69 Ų | 69 | 121 Ų | 121 | 57% | 0.57 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -25.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | L503 Q504 T505 | A501-L503 PolarHBondContact O-N 3.44Å; A501-Q504 WeakPolarHBondContact O-CB 3.4Å; A501-Q504 PolarHBondContact O-N 2.66Å; A501-T505 PolarHBondContact O-N 3.24Å |
| 502 | D | 55.8 | Low | 48.4 | Very low | 121 Ų | 121 | 121.1 Ų | 121.1 | 65% | 0.647 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -70.4 | -14 | -179.2 | -156.1 | 37.6 | 0 | 0 | 0 | 113.8 | S500 T505 | S500-D502 PolarHBondContact O-N 3.45Å; S500-D502 VanDerWaalsContact O-N 3.11Å; S500-D502 PolarHBondContact OG-N 2.93Å; D502-T505 VanDerWaalsContact C-OG1 3.28Å; D502-T505 VanDerWaalsContact CA-OG1 3.3Å; D502-T505 WeakPolarHBondContact CA-OG1 3.31Å; D502-T505 PolarHBondContact O-OG1 2.91Å; D502-T505 PolarHBondContact OD1-OG1 2.72Å |
| 503 | L | 60.9 | Low | 49.4 | Very low | 106 Ų | 106 | 122.4 Ų | 122.4 | 56% | 0.555 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -80.7 | -26.4 | 170.2 | -124.8 | 171.4 | 0 | 0 | 0 | 111.9 | I499 S500 A501 L507 | I499-L503 HydrophobicContact CG2-CB 4.12Å; I499-L503 HydrophobicContact CG2-CD1 4.09Å; S500-L503 PolarHBondContact O-N 2.91Å; S500-L503 VanDerWaalsContact O-N 3.11Å; A501-L503 PolarHBondContact O-N 3.44Å; L503-L507 WeakPolarHBondContact O-CB 3.17Å; L503-L507 PolarHBondContact O-N 2.97Å |
| 504 | Q | 60.4 | Low | 50.4 | Low | 136 Ų | 136 | 123.4 Ų | 123.4 | 64% | 0.636 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -80.5 | -37 | 179.7 | -58.6 | -175.3 | 1.2 | 0 | 0 | 111.6 | A501 L507 L508 | A501-Q504 WeakPolarHBondContact O-CB 3.4Å; A501-Q504 PolarHBondContact O-N 2.66Å; Q504-L507 PolarHBondContact O-N 2.95Å; Q504-L508 WeakPolarHBondContact O-CB 3.37Å; Q504-L508 PolarHBondContact O-N 3.47Å |
| 505 | T | 58.1 | Low | 51.2 | Low | 69 Ų | 69 | 121.5 Ų | 121.5 | 42% | 0.423 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -59.4 | -47.8 | 171.1 | 47.8 | 0 | 0 | 0 | 0 | 111.2 | A501 D502 L507 L508 Q509 | A501-T505 PolarHBondContact O-N 3.24Å; D502-T505 VanDerWaalsContact C-OG1 3.28Å; D502-T505 VanDerWaalsContact CA-OG1 3.3Å; D502-T505 WeakPolarHBondContact CA-OG1 3.31Å; D502-T505 PolarHBondContact O-OG1 2.91Å; D502-T505 PolarHBondContact OD1-OG1 2.72Å; T505-L507 PolarHBondContact O-N 2.89Å; T505-L508 PolarHBondContact O-N 3.39Å; T505-Q509 WeakPolarHBondContact O-CG 3.46Å; T505-Q509 PolarHBondContact O-N 3.33Å |
| 506 | L | 64.8 | Low | 51.6 | Low | 97 Ų | 97 | 119.9 Ų | 119.9 | 51% | 0.508 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -59.5 | -46.6 | 178.5 | -161.6 | 86.1 | 0 | 0 | 0 | 112.2 | L508 Q509 L510 | L506-L508 VanDerWaalsContact C-N 3.34Å; L506-L508 PolarHBondContact O-N 3.3Å; L506-Q509 PolarHBondContact O-N 3.45Å; L506-L510 WeakPolarHBondContact O-CG 3.49Å; L506-L510 PolarHBondContact O-N 3.27Å |
| 507 | L | 64.1 | Low | 51.5 | Low | 106 Ų | 106 | 115.6 Ų | 115.6 | 56% | 0.555 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -65.1 | -38.4 | 179.4 | -165.2 | 153 | 0 | 0 | 0 | 111.5 | L503 Q504 T505 L510 L511 | L503-L507 WeakPolarHBondContact O-CB 3.17Å; L503-L507 PolarHBondContact O-N 2.97Å; Q504-L507 PolarHBondContact O-N 2.95Å; T505-L507 PolarHBondContact O-N 2.89Å; L507-L510 PolarHBondContact O-N 3.08Å; L507-L511 HydrophobicContact CD2-CD1 4.27Å; L507-L511 PolarHBondContact O-N 2.88Å |
| 508 | L | 63.8 | Low | 51.2 | Low | 119 Ų | 119 | 118.3 Ų | 118.3 | 62% | 0.623 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -69.1 | -34.9 | 176 | -167.1 | 66.2 | 0 | 0 | 0 | 112.5 | Q504 T505 L506 K512 | Q504-L508 WeakPolarHBondContact O-CB 3.37Å; Q504-L508 PolarHBondContact O-N 3.47Å; T505-L508 PolarHBondContact O-N 3.39Å; L506-L508 VanDerWaalsContact C-N 3.34Å; L506-L508 PolarHBondContact O-N 3.3Å; L508-K512 VanDerWaalsContact O-CB 3.31Å; L508-K512 WeakPolarHBondContact O-CB 3.23Å; L508-K512 PolarHBondContact O-N 2.96Å; L508-K512 VanDerWaalsContact O-N 3.1Å |
| 509 | Q | 63.6 | Low | 51 | Low | 133 Ų | 133 | 115.9 Ų | 115.9 | 62% | 0.621 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -66 | -41.2 | 171.7 | -74.7 | -177.8 | -85.8 | 0 | 0 | 112.1 | T505 L506 K512 L513 | T505-Q509 WeakPolarHBondContact O-CG 3.46Å; T505-Q509 PolarHBondContact O-N 3.33Å; L506-Q509 PolarHBondContact O-N 3.45Å; Q509-K512 PolarHBondContact O-N 2.89Å; Q509-L513 PolarHBondContact O-N 2.82Å |
| 510 | L | 56.5 | Low | 50.7 | Low | 111 Ų | 111 | 117.9 Ų | 117.9 | 58% | 0.581 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -64.6 | -42.5 | 177.3 | -73.1 | 167.9 | 0 | 0 | 0 | 112.2 | L506 L507 K512 L513 | L506-L510 WeakPolarHBondContact O-CG 3.49Å; L506-L510 PolarHBondContact O-N 3.27Å; L507-L510 PolarHBondContact O-N 3.08Å; L510-K512 VanDerWaalsContact C-N 3.29Å; L510-K512 PolarHBondContact O-N 3.26Å; L510-L513 PolarHBondContact O-N 3.38Å |
| 511 | L | 61.8 | Low | 50 | Low | 124 Ų | 124 | 118.6 Ų | 118.6 | 65% | 0.649 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -59.9 | -40.5 | 172.1 | -116.5 | 74 | 0 | 0 | 0 | 111.9 | L507 L513 H514 | L507-L511 HydrophobicContact CD2-CD1 4.27Å; L507-L511 PolarHBondContact O-N 2.88Å; L511-L513 VanDerWaalsContact C-N 3.33Å; L511-L513 PolarHBondContact O-N 2.89Å; L511-H514 PolarHBondContact O-N 3.46Å |
| 512 | K | 50.3 | Low | 48.9 | Very low | 176 Ų | 176 | 120.1 Ų | 120.1 | 77% | 0.765 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -71.8 | -24.8 | -177.3 | -164.8 | 168.3 | -174.8 | 174.5 | 0 | 113.5 | L508 Q509 L510 H514 | L508-K512 VanDerWaalsContact O-CB 3.31Å; L508-K512 WeakPolarHBondContact O-CB 3.23Å; L508-K512 PolarHBondContact O-N 2.96Å; L508-K512 VanDerWaalsContact O-N 3.1Å; Q509-K512 PolarHBondContact O-N 2.89Å; L510-K512 VanDerWaalsContact C-N 3.29Å; L510-K512 PolarHBondContact O-N 3.26Å; K512-H514 VanDerWaalsContact C-N 3.33Å |
| 513 | L | 51.1 | Low | 48.6 | Very low | 136 Ų | 136 | 119.6 Ų | 119.6 | 71% | 0.712 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -73.3 | -24.4 | 176.2 | -165.8 | 67 | 0 | 0 | 0 | 112.7 | Q509 L510 L511 G515 | Q509-L513 PolarHBondContact O-N 2.82Å; L510-L513 PolarHBondContact O-N 3.38Å; L511-L513 VanDerWaalsContact C-N 3.33Å; L511-L513 PolarHBondContact O-N 2.89Å; L513-G515 VanDerWaalsContact C-N 3.31Å; L513-G515 PolarHBondContact O-N 3.18Å |
| 514 | H | 45.8 | Very low | 47.7 | Very low | 183 Ų | 183 | 120.3 Ų | 120.3 | 85% | 0.847 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | 6.6 | -176.7 | -133.3 | -80.5 | 0 | 0 | 0 | 114.1 | L511 K512 | L511-H514 PolarHBondContact O-N 3.46Å; K512-H514 VanDerWaalsContact C-N 3.33Å |
| 515 | G | 47.4 | Very low | 46.3 | Very low | 66 Ų | 66 | 119.2 Ų | 119.2 | 68% | 0.68 | 72% | 0.715 | S | S | * | * | trans | -119.8 | 27.2 | -165.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | L513 | L513-G515 VanDerWaalsContact C-N 3.31Å; L513-G515 PolarHBondContact O-N 3.18Å | ||
| 516 | S | 34.9 | Very low | 44.9 | Very low | 110 Ų | 110 | 119.6 Ų | 119.6 | 77% | 0.769 | 73% | 0.732 | S | S | * | * | trans | -129.4 | 75.3 | -175.6 | 64.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 517 | S | 31.2 | Very low | 43.1 | Very low | 114 Ų | 114 | 122.7 Ų | 122.7 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -154.4 | 97.2 | 159.6 | 179.4 | 0 | 0 | 0 | 0 | 111.6 | ||
| 518 | L | 31.8 | Very low | 41.6 | Very low | 180 Ų | 180 | 125.1 Ų | 125.1 | 94% | 0.942 | 76% | 0.761 | S | S | * | * | trans | 31.2 | 114.1 | 148.3 | -162.6 | 73.2 | 0 | 0 | 0 | 118.6 | ||||
| 519 | G | 31.4 | Very low | 39.7 | Very low | 69 Ų | 69 | 127.8 Ų | 127.8 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | cis | 169.5 | 173.9 | -3.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 520 | D | 31.2 | Very low | 38.1 | Very low | 169 Ų | 169 | 128 Ų | 128 | 90% | 0.904 | 78% | 0.78 | S | S | * | * | trans | 55.8 | 95.9 | 161.6 | -156.2 | 19.6 | 0 | 0 | 0 | 121.4 | ||||
| 521 | A | 30.7 | Very low | 37.1 | Very low | 97 Ų | 97 | 127.1 Ų | 127.1 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | trans | -170.6 | 142.9 | 136.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 522 | A | 31.3 | Very low | 35.2 | Very low | 100 Ų | 100 | 130.3 Ų | 130.3 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | -99.2 | 147.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 523 | P | 49 | Very low | 34.1 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | trans | -97.8 | 168.6 | -179.3 | 39.2 | -36.7 | 0 | 0 | 0 | 114.2 | ||||
| 524 | P | 42.4 | Very low | 33.2 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | -125.5 | 138.7 | 124.3 | 34.9 | -27.8 | 0 | 0 | 0 | 111 | |||||
| 525 | S | 32 | Very low | 32.1 | Very low | 113 Ų | 113 | 125.5 Ų | 125.5 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | cis | 93.3 | 120.4 | 42.1 | -69.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 526 | G | 27.1 | Very low | 31 | Very low | 76 Ų | 76 | 126.9 Ų | 126.9 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | trans | 92.4 | 152.2 | 180 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 527 | L | 28.6 | Very low | 30.5 | Very low | 162 Ų | 162 | 127.4 Ų | 127.4 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | cis | -156.8 | -169 | -11.6 | -132.7 | 169.1 | 0 | 0 | 0 | 108.9 | ||||
| 528 | L | 31.6 | Very low | 30.4 | Very low | 157 Ų | 157 | 127.4 Ų | 127.4 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -53.1 | 148.1 | 171.1 | -68.1 | 159 | 0 | 0 | 0 | 111.9 | ||||
| 529 | E | 24.2 | Very low | 30.1 | Very low | 175 Ų | 175 | 125.8 Ų | 125.8 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | 174.2 | 148.6 | 106.6 | -173 | 158.9 | -167.8 | 0 | 0 | 112 | |||||
| 530 | V | 29.6 | Very low | 29.8 | Very low | 137 Ų | 137 | 130.2 Ų | 130.2 | 83% | 0.83 | 78% | 0.777 | S | S | * | * | trans | -117.7 | 120.2 | 167 | 167.2 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 531 | P | 36.5 | Very low | 29.6 | Very low | 93 Ų | 93 | 125.9 Ų | 125.9 | 60% | 0.604 | 76% | 0.76 | S | S | * | * | -156.9 | 175.8 | 99.1 | 42.1 | -24.1 | 0 | 0 | 0 | 118 | |||||
| 532 | K | 22.1 | Very low | 29.4 | Very low | 192 Ų | 192 | 126.1 Ų | 126.1 | 84% | 0.835 | 76% | 0.755 | S | S | * | * | trans | 77.4 | 118.4 | 151.6 | -82 | 170.4 | -180 | 174.7 | 0 | 120.4 | ||||
| 533 | L | 25.3 | Very low | 29.3 | Very low | 161 Ų | 161 | 130 Ų | 130 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | trans | -51.7 | 143.5 | 145.2 | -155.3 | 76.5 | 0 | 0 | 0 | 110.3 | ||||
| 534 | P | 33.7 | Very low | 28.3 | Very low | 114 Ų | 114 | 128.4 Ų | 128.4 | 74% | 0.74 | 75% | 0.745 | S | S | * | * | -134.2 | 163.1 | 102.6 | 11.2 | 10.8 | 0 | 0 | 0 | 116.2 | |||||
| 535 | T | 22.2 | Very low | 27.8 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 72% | 0.724 | 74% | 0.743 | S | S | * | * | trans | -23.5 | 144.5 | 166.1 | 28.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 536 | S | 24.1 | Very low | 27.5 | Very low | 96 Ų | 96 | 129.6 Ų | 129.6 | 67% | 0.671 | 74% | 0.741 | S | S | * | * | 89.1 | 152.9 | 124.6 | 72.2 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 537 | T | 24.7 | Very low | 27.8 | Very low | 120 Ų | 120 | 131.3 Ų | 131.3 | 74% | 0.736 | 74% | 0.741 | S | S | * | * | trans | 64 | 107.3 | 158 | 43.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 538 | V | 28.6 | Very low | 27.6 | Very low | 114 Ų | 114 | 127 Ų | 127 | 69% | 0.691 | 74% | 0.735 | S | S | * | * | 95.7 | 136.3 | 59.3 | 157.9 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 539 | D | 25 | Very low | 27.3 | Very low | 146 Ų | 146 | 125.6 Ų | 125.6 | 78% | 0.781 | 74% | 0.737 | S | S | * | * | trans | 67.4 | 146.2 | 169.1 | -65.7 | -13.1 | 0 | 0 | 0 | 117.2 | ||||
| 540 | E | 27.1 | Very low | 27.7 | Very low | 163 Ų | 163 | 121.7 Ų | 121.7 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | cis | -156.2 | 178.6 | -7.6 | -135.1 | -144.7 | 140.9 | 0 | 0 | 112.9 | ||||
| 541 | S | 26.6 | Very low | 27.6 | Very low | 78 Ų | 78 | 121 Ų | 121 | 55% | 0.545 | 72% | 0.72 | S | S | . | * | trans | 46.6 | 100 | 137.1 | -148.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 542 | S | 27 | Very low | 27.4 | Very low | 101 Ų | 101 | 121.5 Ų | 121.5 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | 83.5 | 170.4 | 95.8 | 89.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 543 | K | 28.9 | Very low | 27.7 | Very low | 181 Ų | 181 | 118.7 Ų | 118.7 | 79% | 0.787 | 72% | 0.718 | S | S | * | * | cis | -144.5 | -176.9 | 6.3 | -147.9 | -178.7 | 176.3 | 178.7 | 0 | 110.7 | ||||
| 544 | S | 27.4 | Very low | 28.2 | Very low | 78 Ų | 78 | 119.6 Ų | 119.6 | 55% | 0.545 | 71% | 0.714 | S | S | . | * | trans | -20.1 | 163.6 | 157.7 | 65.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 545 | T | 31.5 | Very low | 28 | Very low | 119 Ų | 119 | 119.3 Ų | 119.3 | 73% | 0.73 | 72% | 0.715 | S | S | * | * | -177.5 | 169.6 | 50 | -16.5 | 0 | 0 | 0 | 0 | 106.2 | |||||
| 546 | D | 26 | Very low | 28.5 | Very low | 141 Ų | 141 | 118.2 Ų | 118.2 | 75% | 0.754 | 71% | 0.713 | S | S | * | * | cis | -161 | 179.4 | 0.9 | -156.9 | -5.5 | 0 | 0 | 0 | 108.7 | ||||
| 547 | S | 33 | Very low | 28.9 | Very low | 112 Ų | 112 | 121.8 Ų | 121.8 | 78% | 0.783 | 72% | 0.719 | S | S | * | * | trans | 62.4 | 132.8 | 145 | -160.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 548 | G | 25 | Very low | 29 | Very low | 70 Ų | 70 | 125 Ų | 125 | 72% | 0.722 | 72% | 0.723 | S | S | * | * | cis | -178.4 | 161.8 | 0.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 549 | C | 24.9 | Very low | 29 | Very low | 128 Ų | 128 | 126.8 Ų | 126.8 | 87% | 0.865 | 73% | 0.725 | S | S | * | * | trans | -63.4 | 163.4 | 169.6 | -83.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 550 | S | 32.1 | Very low | 29.5 | Very low | 94 Ų | 94 | 126.7 Ų | 126.7 | 66% | 0.657 | 73% | 0.725 | S | S | * | * | cis | -175.2 | -156.6 | -5.9 | 46.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 551 | D | 28.6 | Very low | 29.8 | Very low | 121 Ų | 121 | 126.8 Ų | 126.8 | 65% | 0.647 | 73% | 0.725 | S | S | * | * | trans | 94 | 147.8 | 151.9 | -80.2 | 51.3 | 0 | 0 | 0 | 120.8 | ||||
| 552 | N | 31.5 | Very low | 30.1 | Very low | 105 Ų | 105 | 129 Ų | 129 | 56% | 0.561 | 73% | 0.73 | S | S | * | * | cis | 178.6 | 124.1 | -36.9 | -105.6 | -20.1 | 0 | 0 | 0 | 111.4 | ||||
| 553 | T | 29.6 | Very low | 30.5 | Very low | 133 Ų | 133 | 130 Ų | 130 | 82% | 0.816 | 73% | 0.728 | S | S | * | * | trans | -164 | 117.6 | 156 | 13.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 554 | K | 34.2 | Very low | 30.6 | Very low | 179 Ų | 179 | 128.7 Ų | 128.7 | 78% | 0.778 | 72% | 0.722 | S | S | * | * | 63.1 | 129.9 | 59.6 | -57.3 | 170.2 | -178.3 | 168.7 | 0 | 110.8 | |||||
| 555 | S | 30.1 | Very low | 30.8 | Very low | 109 Ų | 109 | 130.6 Ų | 130.6 | 76% | 0.762 | 73% | 0.731 | S | S | * | * | cis | -153.5 | 141.3 | 25.5 | 46.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 556 | S | 32.9 | Very low | 30.6 | Very low | 95 Ų | 95 | 132.1 Ų | 132.1 | 66% | 0.664 | 74% | 0.74 | S | S | * | * | 68.2 | 143.6 | 90.8 | -112.9 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 557 | Q | 32.1 | Very low | 30.6 | Very low | 170 Ų | 170 | 133 Ų | 133 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | cis | -170.3 | -163.9 | -2.7 | -135.9 | 167.1 | -16.4 | 0 | 0 | 111.5 | ||||
| 558 | F | 26.4 | Very low | 30.8 | Very low | 187 Ų | 187 | 135 Ų | 135 | 82% | 0.82 | 74% | 0.737 | S | S | * | * | trans | 87.2 | 128.5 | 175.7 | -76.8 | -115.5 | 0 | 0 | 0 | 116.6 | ||||
| 559 | M | 29.4 | Very low | 30.9 | Very low | 152 Ų | 152 | 141 Ų | 141 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | cis | -143.4 | 145.3 | -22 | -72.1 | -164.2 | -48.4 | 0 | 0 | 106.1 | ||||
| 560 | D | 35.4 | Very low | 31.2 | Very low | 145 Ų | 145 | 143.4 Ų | 143.4 | 78% | 0.775 | 74% | 0.742 | S | S | * | * | cis | 89.9 | 109.6 | 36.3 | -166.1 | 17.1 | 0 | 0 | 0 | 114.5 | ||||
| 561 | E | 33.1 | Very low | 31 | Very low | 165 Ų | 165 | 144.3 Ų | 144.3 | 77% | 0.771 | 74% | 0.744 | S | S | * | * | trans | -174.8 | 124.4 | 130.3 | -102.2 | -168.5 | 140.9 | 0 | 0 | 112.5 | ||||
| 562 | L | 32.2 | Very low | 30.8 | Very low | 123 Ų | 123 | 148.3 Ų | 148.3 | 64% | 0.644 | 76% | 0.755 | S | S | * | * | trans | 60.9 | 115.8 | 147.6 | -54.1 | 162.9 | 0 | 0 | 0 | 119 | F564 | L562-F564 HydrophobicContact CD2-CE2 3.84Å; L562-F564 HydrophobicContact CD2-CZ 4.29Å | ||
| 563 | D | 35.8 | Very low | 30.6 | Very low | 124 Ų | 124 | 151.5 Ų | 151.5 | 66% | 0.663 | 77% | 0.767 | S | S | * | * | cis | 78.3 | 140.2 | 30.5 | -133.2 | 13.5 | 0 | 0 | 0 | 113.9 | ||||
| 564 | F | 31.6 | Very low | 30.4 | Very low | 152 Ų | 152 | 150.3 Ų | 150.3 | 67% | 0.667 | 76% | 0.764 | S | S | * | * | cis | -153.1 | 146.2 | 46.3 | -73.5 | -84.7 | 0 | 0 | 0 | 118.2 | L562 | L562-F564 HydrophobicContact CD2-CE2 3.84Å; L562-F564 HydrophobicContact CD2-CZ 4.29Å | ||
| 565 | T | 31 | Very low | 30.2 | Very low | 119 Ų | 119 | 147.6 Ų | 147.6 | 73% | 0.73 | 76% | 0.763 | S | S | * | * | trans | 51 | 141.3 | 139.4 | 63 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 566 | T | 27.4 | Very low | 30.3 | Very low | 150 Ų | 150 | 153.6 Ų | 153.6 | 92% | 0.92 | 77% | 0.769 | S | S | * | * | trans | -142.2 | 149.9 | 136.4 | -38.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 567 | Q | 27.4 | Very low | 30.1 | Very low | 160 Ų | 160 | 157.1 Ų | 157.1 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | -114.1 | 160.2 | -171.5 | -174.7 | 173.5 | -3.6 | 0 | 0 | 114.2 | ||||
| 568 | E | 36.1 | Very low | 30.2 | Very low | 153 Ų | 153 | 156.2 Ų | 156.2 | 72% | 0.715 | 77% | 0.77 | S | S | * | * | trans | -22.7 | 144.8 | 171.3 | -54.6 | 166 | 97 | 0 | 0 | 119.8 | ||||
| 569 | E | 28.1 | Very low | 30.6 | Very low | 196 Ų | 196 | 155.4 Ų | 155.4 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | trans | -145.7 | 161.8 | 137 | -166.9 | 159.8 | -153.2 | 0 | 0 | 111.1 | ||||
| 570 | K | 29.4 | Very low | 31.1 | Very low | 180 Ų | 180 | 153.5 Ų | 153.5 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | trans | -110.5 | 149.7 | -175.1 | -83.9 | 172.5 | 176.8 | 160.3 | 0 | 113.4 | ||||
| 571 | T | 28.4 | Very low | 31.3 | Very low | 113 Ų | 113 | 152.7 Ų | 152.7 | 69% | 0.693 | 77% | 0.766 | S | S | * | * | trans | 30.5 | 115.8 | 142.9 | -48.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 572 | F | 24.8 | Very low | 31.9 | Very low | 204 Ų | 204 | 152.5 Ų | 152.5 | 90% | 0.895 | 76% | 0.763 | S | S | * | * | -158.5 | 167.2 | 127.5 | -104 | -64.7 | 0 | 0 | 0 | 111.8 | |||||
| 573 | E | 26.6 | Very low | 33 | Very low | 173 Ų | 173 | 155.6 Ų | 155.6 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | trans | -95.5 | 161.2 | -163.2 | -61 | 178.8 | 102.3 | 0 | 0 | 115.5 | ||||
| 574 | S | 27.2 | Very low | 34 | Very low | 108 Ų | 108 | 159.1 Ų | 159.1 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | 55.9 | 120.4 | 156.6 | -159.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 575 | T | 28.8 | Very low | 35 | Very low | 122 Ų | 122 | 159.5 Ų | 159.5 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | -164.8 | 155.8 | 61.5 | -57.4 | 0 | 0 | 0 | 0 | 111 | |||||
| 576 | R | 32.3 | Very low | 36.4 | Very low | 235 Ų | 235 | 156.5 Ų | 156.5 | 89% | 0.887 | 75% | 0.752 | S | S | * | * | trans | -48 | 139.4 | 171.7 | -59 | 158.7 | 104.9 | 143.4 | 1 | 110 | ||||
| 577 | Q | 28.9 | Very low | 38 | Very low | 168 Ų | 168 | 156.2 Ų | 156.2 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | -174 | 150.7 | 78.4 | 175 | 151.9 | -31.9 | 0 | 0 | 112.7 | |||||
| 578 | E | 33.5 | Very low | 39.6 | Very low | 151 Ų | 151 | 151.8 Ų | 151.8 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | trans | 63.9 | 82.3 | 153.8 | -164.4 | 161.1 | -171.7 | 0 | 0 | 119.5 | V580 | E578-V580 HydrophobicContact CG-CG2 4.3Š| ||
| 579 | L | 35.5 | Very low | 40.9 | Very low | 170 Ų | 170 | 151.2 Ų | 151.2 | 89% | 0.89 | 73% | 0.727 | S | S | * | * | trans | -124.7 | 98.8 | 144.9 | -131.6 | 173.1 | 0 | 0 | 0 | 107.8 | D581 | L579-D581 PolarHBondContact O-N 3.43Š| ||
| 580 | V | 38.9 | Very low | 42.6 | Very low | 112 Ų | 112 | 148.1 Ų | 148.1 | 68% | 0.679 | 72% | 0.716 | S | S | * | * | trans | -78.8 | 92.1 | -177.5 | -179.2 | 0 | 0 | 0 | 0 | 109.6 | E578 | E578-V580 HydrophobicContact CG-CG2 4.3Š| ||
| 581 | D | 40.4 | Very low | 44.6 | Very low | 129 Ų | 129 | 144 Ų | 144 | 69% | 0.69 | 71% | 0.706 | S | S | * | * | trans | -65.9 | 132.3 | 172.6 | -173.2 | 23.4 | 0 | 0 | 0 | 111.1 | L579 R583 | L579-D581 PolarHBondContact O-N 3.43Å; D581-R583 PolarHBondContact O-N 2.88Å | ||
| 582 | K | 45.5 | Very low | 46.6 | Very low | 161 Ų | 161 | 140 Ų | 140 | 70% | 0.7 | 68% | 0.68 | S | S | * | * | trans | -84.3 | 79.7 | -165.4 | -76.3 | -177.8 | 177.6 | 174.6 | 0 | 111.8 | Y584 | K582-Y584 HydrophobicContact CB-CE2 4.18Å; K582-Y584 WeakPolarHBondContact O-CD2 3.2Å; K582-Y584 WeakPolarHBondContact O-CE2 3.45Å; K582-Y584 PolarHBondContact O-N 3.45Å | ||
| 583 | R | 54.6 | Low | 48.9 | Very low | 187 Ų | 187 | 134.1 Ų | 134.1 | 71% | 0.706 | 66% | 0.658 | S | S | * | * | trans | -69 | 113.2 | 169.8 | -61.1 | -177.8 | -175.6 | -175.9 | 0.1 | 110.2 | D581 W585 | D581-R583 PolarHBondContact O-N 2.88Å; R583-W585 PolarHBondContact O-N 2.92Å | ||
| 584 | Y | 57.8 | Low | 51 | Low | 199 Ų | 199 | 130.2 Ų | 130.2 | 78% | 0.78 | 65% | 0.646 | S | S | * | * | trans | -83.3 | 6.9 | 176.2 | -73.1 | -87.2 | 0 | 0 | 0 | 114 | K582 | K582-Y584 HydrophobicContact CB-CE2 4.18Å; K582-Y584 WeakPolarHBondContact O-CD2 3.2Å; K582-Y584 WeakPolarHBondContact O-CE2 3.45Å; K582-Y584 PolarHBondContact O-N 3.45Å | ||
| 585 | W | 51.9 | Low | 53.2 | Low | 159 Ų | 159 | 128.3 Ų | 128.3 | 60% | 0.602 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -130 | 150.5 | -175.8 | -65.4 | 77.1 | 0 | 0 | 0 | 108.9 | R583 D592 | R583-W585 PolarHBondContact O-N 2.92Å; W585-D592 WeakPolarHBondContact CA-OD2 3.38Å; W585-D592 WeakPolarHBondContact CB-OD2 3.17Å; W585-D592 HydrophobicContact CE3-CB 3.54Å; W585-D592 HydrophobicContact CZ3-CB 3.75Å |
| 586 | S | 61.5 | Low | 55.2 | Low | 56 Ų | 56 | 126.8 Ų | 126.8 | 39% | 0.392 | 63% | 0.627 | S | S | . | * | trans | -72.1 | 163.5 | 178.6 | 80.2 | 0 | 0 | 0 | 0 | 111.4 | S588 D592 | S586-S588 PolarHBondContact O-N 3.22Å; S586-S588 PolarHBondContact OG-N 3.29Å; S586-S588 PolarHBondContact OG-O 3.38Å; S586-D592 VanDerWaalsContact CB-OD1 3.3Å; S586-D592 WeakPolarHBondContact CB-OD1 3.31Å; S586-D592 PolarHBondContact N-OD2 2.88Å; S586-D592 VanDerWaalsContact OG-CG 3.29Å; S586-D592 PolarHBondContact OG-OD1 2.93Å; S586-D592 PolarHBondContact OG-OD2 3.32Å | ||
| 587 | N | 61 | Low | 56.7 | Low | 145 Ų | 145 | 117.2 Ų | 117.2 | 78% | 0.775 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -71 | 19.9 | 173.7 | -74.2 | -26.2 | 0 | 0 | 0 | 113.1 | ||
| 588 | S | 60.4 | Low | 58.8 | Low | 66 Ų | 66 | 111.7 Ų | 111.7 | 46% | 0.462 | 58% | 0.581 | S | S | . | * | trans | -146.5 | 84.5 | -179.4 | -70.5 | 0 | 0 | 0 | 0 | 110.5 | S586 L590 V591 D592 | S586-S588 PolarHBondContact O-N 3.22Å; S586-S588 PolarHBondContact OG-N 3.29Å; S586-S588 PolarHBondContact OG-O 3.38Å; S588-L590 PolarHBondContact O-N 3.45Å; S588-V591 WeakPolarHBondContact O-CB 3.37Å; S588-V591 PolarHBondContact O-N 3.42Å; S588-D592 PolarHBondContact O-N 3.03Å | ||
| 589 | F | 63.6 | Low | 60.2 | Low | 142 Ų | 142 | 106.7 Ų | 106.7 | 62% | 0.623 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -46.9 | -33.6 | 179.3 | 176.4 | -104.4 | 0 | 0 | 0 | 114 | V591 D592 L593 | F589-V591 PolarHBondContact O-N 3.12Å; F589-D592 PolarHBondContact O-N 3.21Å; F589-L593 HydrophobicContact CE1-CB 4.47Å; F589-L593 HydrophobicContact CE1-CD2 3.91Å; F589-L593 HydrophobicContact CZ-CD2 4.35Å; F589-L593 WeakPolarHBondContact O-CB 3.4Å; F589-L593 PolarHBondContact O-N 3.27Å |
| 590 | L | 63.4 | Low | 61.8 | Low | 130 Ų | 130 | 101.9 Ų | 101.9 | 68% | 0.681 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.4 | -35.7 | 175.7 | -65.1 | 176.2 | 0 | 0 | 0 | 113.5 | S588 V594 | S588-L590 PolarHBondContact O-N 3.45Å; L590-V594 VanDerWaalsContact O-CB 3.29Å; L590-V594 WeakPolarHBondContact O-CB 3.41Å; L590-V594 WeakPolarHBondContact O-CG2 3.29Å; L590-V594 PolarHBondContact O-N 2.84Å |
| 591 | V | 71 | Confident | 63.3 | Low | 94 Ų | 94 | 102 Ų | 102 | 57% | 0.57 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.8 | -45.5 | 177.3 | 178.6 | 0 | 0 | 0 | 0 | 109.9 | S588 F589 V594 A595 | S588-V591 WeakPolarHBondContact O-CB 3.37Å; S588-V591 PolarHBondContact O-N 3.42Å; F589-V591 PolarHBondContact O-N 3.12Å; V591-V594 PolarHBondContact O-N 2.98Å; V591-A595 WeakPolarHBondContact O-CB 3.38Å; V591-A595 PolarHBondContact O-N 2.82Å |
| 592 | D | 71.5 | Confident | 64.6 | Low | 29 Ų | 29 | 99.6 Ų | 99.6 | 16% | 0.155 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -70.4 | -38.7 | -179.5 | -61.5 | 7.7 | 0 | 0 | 0 | 111.2 | W585 S586 S588 F589 A595 V596 | W585-D592 WeakPolarHBondContact CA-OD2 3.38Å; W585-D592 WeakPolarHBondContact CB-OD2 3.17Å; W585-D592 HydrophobicContact CE3-CB 3.54Å; W585-D592 HydrophobicContact CZ3-CB 3.75Å; S586-D592 VanDerWaalsContact CB-OD1 3.3Å; S586-D592 WeakPolarHBondContact CB-OD1 3.31Å; S586-D592 PolarHBondContact N-OD2 2.88Å; S586-D592 VanDerWaalsContact OG-CG 3.29Å; S586-D592 PolarHBondContact OG-OD1 2.93Å; S586-D592 PolarHBondContact OG-OD2 3.32Å; S588-D592 PolarHBondContact O-N 3.03Å; F589-D592 PolarHBondContact O-N 3.21Å; D592-A595 PolarHBondContact O-N 2.97Å; D592-V596 WeakPolarHBondContact O-CG2 3.46Å; D592-V596 PolarHBondContact O-N 3.41Å |
| 593 | L | 72.1 | Confident | 65.5 | Low | 80 Ų | 80 | 93 Ų | 93 | 42% | 0.419 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 172.8 | -179.6 | 63.3 | 0 | 0 | 0 | 111.5 | F589 V596 A597 | F589-L593 HydrophobicContact CE1-CB 4.47Å; F589-L593 HydrophobicContact CE1-CD2 3.91Å; F589-L593 HydrophobicContact CZ-CD2 4.35Å; F589-L593 WeakPolarHBondContact O-CB 3.4Å; F589-L593 PolarHBondContact O-N 3.27Å; L593-V596 PolarHBondContact O-N 3.27Å; L593-A597 WeakPolarHBondContact O-CB 3.48Å; L593-A597 PolarHBondContact O-N 3.36Å |
| 594 | V | 70.9 | Confident | 66 | Low | 92 Ų | 92 | 87 Ų | 87 | 56% | 0.558 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67.3 | -37.9 | 174.4 | 167.6 | 0 | 0 | 0 | 0 | 111.2 | L590 V591 V596 A597 A598 | L590-V594 VanDerWaalsContact O-CB 3.29Å; L590-V594 WeakPolarHBondContact O-CB 3.41Å; L590-V594 WeakPolarHBondContact O-CG2 3.29Å; L590-V594 PolarHBondContact O-N 2.84Å; V591-V594 PolarHBondContact O-N 2.98Å; V594-V596 VanDerWaalsContact C-N 3.28Å; V594-V596 PolarHBondContact O-N 3.46Å; V594-A597 PolarHBondContact O-N 3.15Å; V594-A598 HydrophobicContact CG1-CB 4.44Å; V594-A598 WeakPolarHBondContact O-CB 3.4Å; V594-A598 PolarHBondContact O-N 2.99Å |
| 595 | A | 72.9 | Confident | 66.6 | Low | 68 Ų | 68 | 80.1 Ų | 80.1 | 56% | 0.562 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.2 | -33.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V591 D592 P599 | V591-A595 WeakPolarHBondContact O-CB 3.38Å; V591-A595 PolarHBondContact O-N 2.82Å; D592-A595 PolarHBondContact O-N 2.97Å; A595-P599 VanDerWaalsContact O-CD 3.24Å; A595-P599 WeakPolarHBondContact O-CD 3.3Å; A595-P599 WeakPolarHBondContact O-CG 3.16Å |
| 596 | V | 70.8 | Confident | 67.4 | Low | 89 Ų | 89 | 77.9 Ų | 77.9 | 54% | 0.539 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -81.7 | -37.5 | 174.4 | 172.9 | 0 | 0 | 0 | 0 | 112.4 | D592 L593 V594 V600 | D592-V596 WeakPolarHBondContact O-CG2 3.46Å; D592-V596 PolarHBondContact O-N 3.41Å; L593-V596 PolarHBondContact O-N 3.27Å; V594-V596 VanDerWaalsContact C-N 3.28Å; V594-V596 PolarHBondContact O-N 3.46Å; V596-V600 WeakPolarHBondContact O-CG2 3.46Å |
| 597 | A | 65.5 | Low | 67.6 | Low | 35 Ų | 35 | 79.2 Ų | 79.2 | 29% | 0.289 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -84.7 | -35.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114 | L593 V594 V600 L601 | L593-A597 WeakPolarHBondContact O-CB 3.48Å; L593-A597 PolarHBondContact O-N 3.36Å; V594-A597 PolarHBondContact O-N 3.15Å; A597-V600 WeakPolarHBondContact O-CA 3.37Å; A597-V600 PolarHBondContact O-N 2.89Å; A597-L601 WeakPolarHBondContact O-CG 3.49Å; A597-L601 PolarHBondContact O-N 3.12Å |
| 598 | A | 72.1 | Confident | 67.5 | Low | 52 Ų | 52 | 81 Ų | 81 | 43% | 0.43 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -35.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | V594 V600 P602 | V594-A598 HydrophobicContact CG1-CB 4.44Å; V594-A598 WeakPolarHBondContact O-CB 3.4Å; V594-A598 PolarHBondContact O-N 2.99Å; A598-V600 VanDerWaalsContact C-N 3.33Å; A598-P602 WeakPolarHBondContact O-CD 3.39Å |
| 599 | P | 62.9 | Low | 67.4 | Low | 46 Ų | 46 | 82.5 Ų | 82.5 | 30% | 0.299 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -25.5 | 170 | -19.9 | 33.8 | 0 | 0 | 0 | 113.9 | A595 | A595-P599 VanDerWaalsContact O-CD 3.24Å; A595-P599 WeakPolarHBondContact O-CD 3.3Å; A595-P599 WeakPolarHBondContact O-CG 3.16Å |
| 600 | V | 68.1 | Low | 67 | Low | 69 Ų | 69 | 80.6 Ų | 80.6 | 42% | 0.418 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -40.5 | -175.7 | 175.5 | 0 | 0 | 0 | 0 | 111.5 | V596 A597 A598 T603 V604 | V596-V600 WeakPolarHBondContact O-CG2 3.46Å; A597-V600 WeakPolarHBondContact O-CA 3.37Å; A597-V600 PolarHBondContact O-N 2.89Å; A598-V600 VanDerWaalsContact C-N 3.33Å; V600-T603 PolarHBondContact O-N 3.18Å; V600-T603 PolarHBondContact O-OG1 2.74Å; V600-V604 HydrophobicContact CG1-CG2 3.71Å; V600-V604 PolarHBondContact O-N 3.33Å |
| 601 | L | 71 | Confident | 66.3 | Low | 114 Ų | 114 | 82.6 Ų | 82.6 | 60% | 0.597 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -49.6 | -44.8 | -177.9 | -74.8 | 168.2 | 0 | 0 | 0 | 114.3 | A597 T603 V604 A605 | A597-L601 WeakPolarHBondContact O-CG 3.49Å; A597-L601 PolarHBondContact O-N 3.12Å; L601-T603 VanDerWaalsContact C-N 3.33Å; L601-T603 PolarHBondContact O-N 2.84Å; L601-V604 PolarHBondContact O-N 3.35Å; L601-A605 VanDerWaalsContact O-CB 3.29Å; L601-A605 WeakPolarHBondContact O-CB 3.41Å; L601-A605 PolarHBondContact O-N 3.49Å |
| 602 | P | 67.8 | Low | 65.5 | Low | 79 Ų | 79 | 81.7 Ų | 81.7 | 51% | 0.513 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.8 | -37 | 175.7 | -24.5 | 34.9 | 0 | 0 | 0 | 113.6 | A598 W606 | A598-P602 WeakPolarHBondContact O-CD 3.39Å; P602-W606 VanDerWaalsContact O-CB 3.31Å; P602-W606 WeakPolarHBondContact O-CB 3.29Å; P602-W606 PolarHBondContact O-N 3.12Å |
| 603 | T | 64 | Low | 64.8 | Low | 23 Ų | 23 | 85.9 Ų | 85.9 | 14% | 0.141 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -73.8 | -36.1 | 180 | 62.9 | 0 | 0 | 0 | 0 | 112.3 | V600 L601 L607 L625 I626 | V600-T603 PolarHBondContact O-N 3.18Å; V600-T603 PolarHBondContact O-OG1 2.74Å; L601-T603 VanDerWaalsContact C-N 3.33Å; L601-T603 PolarHBondContact O-N 2.84Å; T603-L607 WeakPolarHBondContact O-CB 3.44Å; T603-L607 PolarHBondContact O-N 3.33Å; T603-L607 VanDerWaalsContact O-N 3.13Å; T603-L625 HydrophobicContact CG2-CD2 4.37Å; T603-I626 HydrophobicContact CG2-CG1 4.45Å |
| 604 | V | 65.9 | Low | 63.8 | Low | 61 Ų | 61 | 87 Ų | 87 | 37% | 0.37 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.3 | -45.4 | 174.1 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | V600 L601 W606 L607 Y608 | V600-V604 HydrophobicContact CG1-CG2 3.71Å; V600-V604 PolarHBondContact O-N 3.33Å; L601-V604 PolarHBondContact O-N 3.35Å; V604-W606 PolarHBondContact O-N 2.97Å; V604-L607 WeakPolarHBondContact O-CB 3.29Å; V604-L607 PolarHBondContact O-N 2.85Å; V604-L607 VanDerWaalsContact O-N 3.14Å; V604-Y608 HydrophobicContact CG1-CD2 3.81Å; V604-Y608 HydrophobicContact CG1-CE2 3.78Å; V604-Y608 WeakPolarHBondContact O-CD2 3.38Å; V604-Y608 PolarHBondContact O-N 2.98Å |
| 605 | A | 69.9 | Low | 63 | Low | 54 Ų | 54 | 86.9 Ų | 86.9 | 45% | 0.446 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.2 | -47 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L601 L607 Y608 S609 | L601-A605 VanDerWaalsContact O-CB 3.29Å; L601-A605 WeakPolarHBondContact O-CB 3.41Å; L601-A605 PolarHBondContact O-N 3.49Å; A605-L607 VanDerWaalsContact C-N 3.3Å; A605-L607 PolarHBondContact O-N 3.14Å; A605-Y608 PolarHBondContact O-N 3.15Å; A605-S609 PolarHBondContact O-N 3.32Å; A605-S609 PolarHBondContact O-OG 2.89Å; A605-S609 VanDerWaalsContact O-OG 3.1Å |
| 606 | W | 69.4 | Low | 61.8 | Low | 112 Ų | 112 | 90.2 Ų | 90.2 | 42% | 0.424 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.4 | -37 | 175.6 | -177.6 | 85.6 | 0 | 0 | 0 | 113.1 | P602 V604 R610 | P602-W606 VanDerWaalsContact O-CB 3.31Å; P602-W606 WeakPolarHBondContact O-CB 3.29Å; P602-W606 PolarHBondContact O-N 3.12Å; V604-W606 PolarHBondContact O-N 2.97Å; W606-R610 PolarHBondContact O-N 3.49Å |
| 607 | L | 64.4 | Low | 60.8 | Low | 84 Ų | 84 | 90.1 Ų | 90.1 | 44% | 0.44 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.2 | -46.1 | 176.5 | -161.5 | 77.1 | 0 | 0 | 0 | 111.4 | T603 V604 A605 R610 H611 I622 | T603-L607 WeakPolarHBondContact O-CB 3.44Å; T603-L607 PolarHBondContact O-N 3.33Å; T603-L607 VanDerWaalsContact O-N 3.13Å; V604-L607 WeakPolarHBondContact O-CB 3.29Å; V604-L607 PolarHBondContact O-N 2.85Å; V604-L607 VanDerWaalsContact O-N 3.14Å; A605-L607 VanDerWaalsContact C-N 3.3Å; A605-L607 PolarHBondContact O-N 3.14Å; L607-R610 PolarHBondContact O-N 3.39Å; L607-H611 PolarHBondContact O-N 2.99Å; L607-I622 HydrophobicContact CD1-CD1 4.15Å |
| 608 | Y | 59.7 | Low | 60.2 | Low | 183 Ų | 183 | 91.1 Ų | 91.1 | 72% | 0.718 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.5 | -42.6 | 176 | -84.3 | -76.7 | 0 | 0 | 0 | 112.3 | V604 A605 R610 H611 | V604-Y608 HydrophobicContact CG1-CD2 3.81Å; V604-Y608 HydrophobicContact CG1-CE2 3.78Å; V604-Y608 WeakPolarHBondContact O-CD2 3.38Å; V604-Y608 PolarHBondContact O-N 2.98Å; A605-Y608 PolarHBondContact O-N 3.15Å; Y608-R610 PolarHBondContact O-N 3.44Å; Y608-R610 VanDerWaalsContact O-N 3.17Å; Y608-H611 PolarHBondContact O-N 3.41Å |
| 609 | S | 58.2 | Low | 59.2 | Low | 96 Ų | 96 | 95.4 Ų | 95.4 | 67% | 0.671 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -60 | -25.4 | 176.8 | -62.1 | 0 | 0 | 0 | 0 | 113.7 | A605 | A605-S609 PolarHBondContact O-N 3.32Å; A605-S609 PolarHBondContact O-OG 2.89Å; A605-S609 VanDerWaalsContact O-OG 3.1Å |
| 610 | R | 55.3 | Low | 58.9 | Low | 102 Ų | 102 | 102 Ų | 102 | 39% | 0.385 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -91.2 | -13.5 | -179.3 | -155.7 | 170.5 | -171.7 | 170 | 3.9 | 114.2 | W606 L607 Y608 G612 | W606-R610 PolarHBondContact O-N 3.49Å; L607-R610 PolarHBondContact O-N 3.39Å; Y608-R610 PolarHBondContact O-N 3.44Å; Y608-R610 VanDerWaalsContact O-N 3.17Å; R610-G612 PolarHBondContact O-N 3.46Å |
| 611 | H | 49.6 | Very low | 58.4 | Low | 173 Ų | 173 | 104.4 Ų | 104.4 | 80% | 0.801 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -4.9 | -172.7 | -154.3 | 63.4 | 0 | 0 | 0 | 114.7 | L607 Y608 | L607-H611 PolarHBondContact O-N 2.99Å; Y608-H611 PolarHBondContact O-N 3.41Å |
| 612 | G | 53 | Low | 58 | Low | 74 Ų | 74 | 103 Ų | 103 | 76% | 0.763 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.7 | 2.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | R610 | R610-G612 PolarHBondContact O-N 3.46Š|
| 613 | V | 56.3 | Low | 57.7 | Low | 118 Ų | 118 | 100.6 Ų | 100.6 | 72% | 0.715 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.1 | -44.6 | -171.2 | -179.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 614 | D | 51.3 | Low | 57.7 | Low | 102 Ų | 102 | 102.1 Ų | 102.1 | 55% | 0.545 | 59% | 0.592 | S | S | . | * | trans | -126.7 | 119.9 | 179.8 | -73 | -63 | 0 | 0 | 0 | 110.8 | N616 | D614-N616 PolarHBondContact O-N 2.9Š| ||
| 615 | G | 54.2 | Low | 57.7 | Low | 91 Ų | 91 | 103.9 Ų | 103.9 | 94% | 0.938 | 60% | 0.599 | S | S | * | * | trans | -70.3 | 10.8 | 178 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 616 | N | 49 | Very low | 57.7 | Low | 137 Ų | 137 | 104.6 Ų | 104.6 | 73% | 0.733 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -100.7 | 120.5 | -179.8 | -80 | -30.7 | 0 | 0 | 0 | 110.8 | D614 | D614-N616 PolarHBondContact O-N 2.9Š|
| 617 | A | 50 | Low | 58 | Low | 88 Ų | 88 | 107.2 Ų | 107.2 | 73% | 0.727 | 61% | 0.605 | S | S | * | * | trans | -57.7 | 122.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | V619 | A617-V619 PolarHBondContact O-N 3.2Å; A617-V619 VanDerWaalsContact O-N 3.16Å | ||
| 618 | P | 52.4 | Low | 58.6 | Low | 55 Ų | 55 | 104.7 Ų | 104.7 | 36% | 0.357 | 60% | 0.599 | S | S | . | * | trans | -71.8 | 114.2 | -174.4 | 27.1 | -33.6 | 0 | 0 | 0 | 110.8 | Y620 | P618-Y620 PolarHBondContact O-N 3.35Š| ||
| 619 | V | 50.8 | Low | 58.9 | Low | 142 Ų | 142 | 98.1 Ų | 98.1 | 86% | 0.861 | 58% | 0.579 | S | S | * | * | trans | -76.8 | 55.2 | 176.9 | -165.7 | 0 | 0 | 0 | 0 | 111.1 | A617 | A617-V619 PolarHBondContact O-N 3.2Å; A617-V619 VanDerWaalsContact O-N 3.16Å | ||
| 620 | Y | 56.3 | Low | 59.5 | Low | 184 Ų | 184 | 96.3 Ų | 96.3 | 72% | 0.722 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -124.5 | 122.4 | 170.3 | -73.5 | -79.8 | 0 | 0 | 0 | 108.6 | P618 I622 | P618-Y620 PolarHBondContact O-N 3.35Å; Y620-I622 PolarHBondContact O-N 2.89Å |
| 621 | N | 58.9 | Low | 60.4 | Low | 120 Ų | 120 | 96.9 Ų | 96.9 | 64% | 0.642 | 58% | 0.575 | S | S | * | * | trans | -67.5 | 104.2 | -168.2 | -161.1 | -47.6 | 0 | 0 | 0 | 110 | G623 A624 L625 | N621-G623 PolarHBondContact O-N 3.37Å; N621-G623 VanDerWaalsContact O-N 3.17Å; N621-G623 PolarHBondContact OD1-N 2.9Å; N621-A624 HydrophobicContact CB-CB 4.18Å; N621-A624 WeakPolarHBondContact O-CA 3.43Å; N621-A624 VanDerWaalsContact O-CB 3.28Å; N621-A624 WeakPolarHBondContact O-CB 3.42Å; N621-A624 PolarHBondContact O-N 2.77Å; N621-L625 PolarHBondContact O-N 3.47Å | ||
| 622 | I | 61.6 | Low | 61.4 | Low | 86 Ų | 86 | 95.5 Ų | 95.5 | 44% | 0.441 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -56.1 | -36.7 | -175.5 | -63 | 170.7 | 0 | 0 | 0 | 110.8 | L607 Y620 A624 L625 I626 | L607-I622 HydrophobicContact CD1-CD1 4.15Å; Y620-I622 PolarHBondContact O-N 2.89Å; I622-A624 PolarHBondContact O-N 2.94Å; I622-L625 PolarHBondContact O-N 3.34Å; I622-L625 VanDerWaalsContact O-N 3.16Å; I622-I626 HydrophobicContact CG2-CD1 3.81Å; I622-I626 HydrophobicContact CG2-CG1 4.31Å; I622-I626 WeakPolarHBondContact O-CG1 3.43Å; I622-I626 PolarHBondContact O-N 3.25Å |
| 623 | G | 61.3 | Low | 62.2 | Low | 27 Ų | 27 | 93.5 Ų | 93.5 | 28% | 0.278 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.7 | -17.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | N621 R627 | N621-G623 PolarHBondContact O-N 3.37Å; N621-G623 VanDerWaalsContact O-N 3.17Å; N621-G623 PolarHBondContact OD1-N 2.9Å; G623-R627 WeakPolarHBondContact O-CB 3.44Å; G623-R627 WeakPolarHBondContact O-CG 3.38Å; G623-R627 PolarHBondContact O-N 2.93Å; G623-R627 PolarHBondContact O-NE 2.69Å |
| 624 | A | 65.1 | Low | 62.8 | Low | 56 Ų | 56 | 92.2 Ų | 92.2 | 46% | 0.463 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -81.6 | -40.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | N621 I622 R627 G628 | N621-A624 HydrophobicContact CB-CB 4.18Å; N621-A624 WeakPolarHBondContact O-CA 3.43Å; N621-A624 VanDerWaalsContact O-CB 3.28Å; N621-A624 WeakPolarHBondContact O-CB 3.42Å; N621-A624 PolarHBondContact O-N 2.77Å; I622-A624 PolarHBondContact O-N 2.94Å; A624-R627 PolarHBondContact O-N 3.38Å; A624-G628 PolarHBondContact O-N 3.44Å |
| 625 | L | 65.2 | Low | 63.3 | Low | 97 Ų | 97 | 92 Ų | 92 | 51% | 0.508 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 176.5 | -169.1 | 70.2 | 0 | 0 | 0 | 111.5 | T603 N621 I622 G628 C629 | T603-L625 HydrophobicContact CG2-CD2 4.37Å; N621-L625 PolarHBondContact O-N 3.47Å; I622-L625 PolarHBondContact O-N 3.34Å; I622-L625 VanDerWaalsContact O-N 3.16Å; L625-G628 PolarHBondContact O-N 3.18Å; L625-C629 WeakPolarHBondContact O-CB 3.39Å; L625-C629 PolarHBondContact O-N 3Å |
| 626 | I | 69.3 | Low | 63.6 | Low | 69 Ų | 69 | 90.7 Ų | 90.7 | 35% | 0.354 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61 | -45.2 | 174.2 | -66.8 | 171.5 | 0 | 0 | 0 | 110.6 | T603 I622 G628 C629 C630 | T603-I626 HydrophobicContact CG2-CG1 4.45Å; I622-I626 HydrophobicContact CG2-CD1 3.81Å; I622-I626 HydrophobicContact CG2-CG1 4.31Å; I622-I626 WeakPolarHBondContact O-CG1 3.43Å; I622-I626 PolarHBondContact O-N 3.25Å; I626-G628 VanDerWaalsContact C-N 3.35Å; I626-G628 PolarHBondContact O-N 2.82Å; I626-C629 PolarHBondContact O-N 3.44Å; I626-C630 WeakPolarHBondContact O-CB 3.19Å; I626-C630 PolarHBondContact O-N 3.29Å; I626-C630 PolarHBondContact O-SG 2.91Å |
| 627 | R | 75.5 | Confident | 64.1 | Low | 168 Ų | 168 | 89.7 Ų | 89.7 | 63% | 0.634 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.2 | -41.3 | 176.3 | -84.1 | 179.9 | -83.1 | -159.2 | -4.6 | 112.2 | G623 A624 I631 | G623-R627 WeakPolarHBondContact O-CB 3.44Å; G623-R627 WeakPolarHBondContact O-CG 3.38Å; G623-R627 PolarHBondContact O-N 2.93Å; G623-R627 PolarHBondContact O-NE 2.69Å; A624-R627 PolarHBondContact O-N 3.38Å; R627-I631 WeakPolarHBondContact O-CB 3.41Å; R627-I631 WeakPolarHBondContact O-CD1 3.46Å; R627-I631 WeakPolarHBondContact O-CG1 3.15Å; R627-I631 PolarHBondContact O-N 2.95Å |
| 628 | G | 77.3 | Confident | 64.6 | Low | 31 Ų | 31 | 93.4 Ų | 93.4 | 32% | 0.32 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.8 | -47.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A624 L625 I626 I631 M632 | A624-G628 PolarHBondContact O-N 3.44Å; L625-G628 PolarHBondContact O-N 3.18Å; I626-G628 VanDerWaalsContact C-N 3.35Å; I626-G628 PolarHBondContact O-N 2.82Å; G628-I631 PolarHBondContact O-N 3.31Å; G628-M632 WeakPolarHBondContact O-CG 3.5Å; G628-M632 PolarHBondContact O-N 3.49Å |
| 629 | C | 66.8 | Low | 64.7 | Low | 44 Ų | 44 | 97.9 Ų | 97.9 | 30% | 0.297 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60 | -47.8 | 177.3 | -171.2 | 0 | 0 | 0 | 0 | 111.9 | L625 I626 I631 M632 G633 | L625-C629 WeakPolarHBondContact O-CB 3.39Å; L625-C629 PolarHBondContact O-N 3Å; I626-C629 PolarHBondContact O-N 3.44Å; C629-I631 PolarHBondContact O-N 2.76Å; C629-M632 PolarHBondContact O-N 2.91Å; C629-G633 PolarHBondContact O-N 2.91Å |
| 630 | C | 69.5 | Low | 64.8 | Low | 58 Ų | 58 | 95.4 Ų | 95.4 | 39% | 0.392 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.4 | -41 | 176.8 | -68 | 0 | 0 | 0 | 0 | 112.5 | I626 G633 L634 | I626-C630 WeakPolarHBondContact O-CB 3.19Å; I626-C630 PolarHBondContact O-N 3.29Å; I626-C630 PolarHBondContact O-SG 2.91Å; C630-G633 PolarHBondContact O-N 3.29Å; C630-L634 WeakPolarHBondContact O-CB 3.46Å; C630-L634 VanDerWaalsContact O-CG 3.24Å; C630-L634 WeakPolarHBondContact O-CG 3.28Å; C630-L634 PolarHBondContact O-N 3.21Å |
| 631 | I | 74.8 | Confident | 64.5 | Low | 114 Ų | 114 | 89.3 Ų | 89.3 | 59% | 0.585 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.1 | -45.7 | 175.8 | -71.2 | 165.1 | 0 | 0 | 0 | 110.7 | R627 G628 C629 H635 | R627-I631 WeakPolarHBondContact O-CB 3.41Å; R627-I631 WeakPolarHBondContact O-CD1 3.46Å; R627-I631 WeakPolarHBondContact O-CG1 3.15Å; R627-I631 PolarHBondContact O-N 2.95Å; G628-I631 PolarHBondContact O-N 3.31Å; C629-I631 PolarHBondContact O-N 2.76Å; I631-H635 VanDerWaalsContact O-CB 3.26Å; I631-H635 WeakPolarHBondContact O-CB 3.4Å; I631-H635 PolarHBondContact O-N 2.79Å |
| 632 | M | 71.3 | Confident | 64 | Low | 144 Ų | 144 | 94.1 Ų | 94.1 | 71% | 0.709 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.3 | -41.2 | 177.6 | -71.6 | -176.4 | 69.9 | 0 | 0 | 112.5 | G628 C629 H635 S636 | G628-M632 WeakPolarHBondContact O-CG 3.5Å; G628-M632 PolarHBondContact O-N 3.49Å; C629-M632 PolarHBondContact O-N 2.91Å; M632-H635 CarbonylContact O-C 3.6Å; M632-H635 PolarHBondContact O-N 2.95Å; M632-S636 PolarHBondContact O-N 3.2Å |
| 633 | G | 69.3 | Low | 63.3 | Low | 32 Ų | 32 | 100.1 Ų | 100.1 | 33% | 0.33 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.7 | -50.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | C629 C630 H635 S636 L637 | C629-G633 PolarHBondContact O-N 2.91Å; C630-G633 PolarHBondContact O-N 3.29Å; G633-H635 VanDerWaalsContact C-N 3.28Å; G633-H635 PolarHBondContact O-N 2.73Å; G633-S636 WeakPolarHBondContact O-CB 3.41Å; G633-S636 PolarHBondContact O-N 2.85Å; G633-L637 WeakPolarHBondContact O-CG 3.31Å; G633-L637 PolarHBondContact O-N 3.43Å |
| 634 | L | 68.1 | Low | 62.5 | Low | 92 Ų | 92 | 106.6 Ų | 106.6 | 48% | 0.482 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.3 | -35.2 | 175.3 | -70 | 169.4 | 0 | 0 | 0 | 112.5 | C630 S636 R638 | C630-L634 WeakPolarHBondContact O-CB 3.46Å; C630-L634 VanDerWaalsContact O-CG 3.24Å; C630-L634 WeakPolarHBondContact O-CG 3.28Å; C630-L634 PolarHBondContact O-N 3.21Å; L634-S636 VanDerWaalsContact C-N 3.34Å; L634-R638 WeakPolarHBondContact O-CG 3.43Å; L634-R638 PolarHBondContact O-N 3.48Å |
| 635 | H | 62.9 | Low | 61.6 | Low | 98 Ų | 98 | 111.2 Ų | 111.2 | 45% | 0.454 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -74.4 | -22.3 | 175.6 | -162.9 | -103.5 | 0 | 0 | 0 | 113.3 | I631 M632 G633 R639 | I631-H635 VanDerWaalsContact O-CB 3.26Å; I631-H635 WeakPolarHBondContact O-CB 3.4Å; I631-H635 PolarHBondContact O-N 2.79Å; M632-H635 CarbonylContact O-C 3.6Å; M632-H635 PolarHBondContact O-N 2.95Å; G633-H635 VanDerWaalsContact C-N 3.28Å; G633-H635 PolarHBondContact O-N 2.73Å; H635-R639 VanDerWaalsContact ND1-CZ 3.32Å; H635-R639 PolarHBondContact ND1-NH2 2.94Å; H635-R639 PolarHBondContact O-NE 3.06Å |
| 636 | S | 61.2 | Low | 60.2 | Low | 63 Ų | 63 | 113.9 Ų | 113.9 | 44% | 0.441 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -76.5 | -50.3 | 168.8 | -147.2 | 0 | 0 | 0 | 0 | 110.8 | M632 G633 L634 R638 R639 V640 | M632-S636 PolarHBondContact O-N 3.2Å; G633-S636 WeakPolarHBondContact O-CB 3.41Å; G633-S636 PolarHBondContact O-N 2.85Å; L634-S636 VanDerWaalsContact C-N 3.34Å; S636-R638 VanDerWaalsContact C-N 3.34Å; S636-R638 PolarHBondContact O-N 3.01Å; S636-R639 WeakPolarHBondContact O-CA 3.26Å; S636-R639 PolarHBondContact O-N 3.41Å; S636-V640 PolarHBondContact O-N 3.2Å |
| 637 | L | 58.6 | Low | 59.8 | Low | 116 Ų | 116 | 116.1 Ų | 116.1 | 61% | 0.607 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -55.6 | -43.4 | 178.4 | -73.6 | 164.6 | 0 | 0 | 0 | 112.6 | G633 R639 V640 A641 | G633-L637 WeakPolarHBondContact O-CG 3.31Å; G633-L637 PolarHBondContact O-N 3.43Å; L637-R639 VanDerWaalsContact C-N 3.26Å; L637-R639 PolarHBondContact O-N 3.07Å; L637-V640 PolarHBondContact O-N 2.96Å; L637-A641 WeakPolarHBondContact O-CB 3.4Å; L637-A641 PolarHBondContact O-N 3.3Å |
| 638 | R | 61.2 | Low | 58.9 | Low | 166 Ų | 166 | 113.4 Ų | 113.4 | 63% | 0.626 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.3 | -27.1 | 175.1 | -75.3 | -179.2 | -172.9 | 143.8 | 4.3 | 114.2 | L634 S636 R642 | L634-R638 WeakPolarHBondContact O-CG 3.43Å; L634-R638 PolarHBondContact O-N 3.48Å; S636-R638 VanDerWaalsContact C-N 3.34Å; S636-R638 PolarHBondContact O-N 3.01Å; R638-R642 WeakPolarHBondContact O-CB 3.28Å; R638-R642 WeakPolarHBondContact O-CG 3.46Å; R638-R642 PolarHBondContact O-N 3.37Å |
| 639 | R | 54 | Low | 57.9 | Low | 149 Ų | 149 | 117.9 Ų | 117.9 | 56% | 0.562 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -84.3 | -27.3 | 177 | -74.9 | -177.7 | -71.2 | -178.3 | 5.5 | 112.7 | H635 S636 L637 | H635-R639 VanDerWaalsContact ND1-CZ 3.32Å; H635-R639 PolarHBondContact ND1-NH2 2.94Å; H635-R639 PolarHBondContact O-NE 3.06Å; S636-R639 WeakPolarHBondContact O-CA 3.26Å; S636-R639 PolarHBondContact O-N 3.41Å; L637-R639 VanDerWaalsContact C-N 3.26Å; L637-R639 PolarHBondContact O-N 3.07Å |
| 640 | V | 52.6 | Low | 57.4 | Low | 90 Ų | 90 | 122.3 Ų | 122.3 | 55% | 0.545 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -73.6 | -46.8 | 169.9 | 178.2 | 0 | 0 | 0 | 0 | 110.7 | S636 L637 R642 R643 | S636-V640 PolarHBondContact O-N 3.2Å; L637-V640 PolarHBondContact O-N 2.96Å; V640-R642 VanDerWaalsContact C-N 3.34Å; V640-R642 PolarHBondContact O-N 2.95Å; V640-R643 WeakPolarHBondContact O-CB 3.46Å; V640-R643 PolarHBondContact O-N 3.14Å |
| 641 | A | 50.6 | Low | 56.7 | Low | 55 Ų | 55 | 126.3 Ų | 126.3 | 46% | 0.455 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -58.8 | -42.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L637 R643 Q644 | L637-A641 WeakPolarHBondContact O-CB 3.4Å; L637-A641 PolarHBondContact O-N 3.3Å; A641-R643 PolarHBondContact O-N 3.17Å; A641-Q644 PolarHBondContact O-N 3.35Å |
| 642 | R | 48.7 | Very low | 55.4 | Low | 221 Ų | 221 | 127.1 Ų | 127.1 | 83% | 0.834 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | 5.1 | 173.9 | -78.3 | -171.9 | 171.1 | -161.1 | -2.6 | 115.2 | R638 V640 | R638-R642 WeakPolarHBondContact O-CB 3.28Å; R638-R642 WeakPolarHBondContact O-CG 3.46Å; R638-R642 PolarHBondContact O-N 3.37Å; V640-R642 VanDerWaalsContact C-N 3.34Å; V640-R642 PolarHBondContact O-N 2.95Å |
| 643 | R | 45.3 | Very low | 54.3 | Low | 212 Ų | 212 | 125.9 Ų | 125.9 | 80% | 0.8 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.3 | 4.8 | 178 | -118.4 | -176.2 | -176.2 | -172.4 | 0.9 | 113.7 | V640 A641 | V640-R643 WeakPolarHBondContact O-CB 3.46Å; V640-R643 PolarHBondContact O-N 3.14Å; A641-R643 PolarHBondContact O-N 3.17Å |
| 644 | Q | 44.4 | Very low | 53.2 | Low | 163 Ų | 163 | 133.2 Ų | 133.2 | 76% | 0.762 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -99.8 | -9.4 | 174.4 | -63.4 | -169.5 | -86.9 | 0 | 0 | 113.7 | A641 | A641-Q644 PolarHBondContact O-N 3.35Š|
| 645 | D | 46.8 | Very low | 51.9 | Low | 154 Ų | 154 | 136.6 Ų | 136.6 | 82% | 0.824 | 68% | 0.68 | S | S | * | * | trans | -103 | 45.2 | 175.1 | -60 | -47.3 | 0 | 0 | 0 | 111.4 | ||||
| 646 | A | 36.6 | Very low | 50.9 | Low | 152 Ų | 152 | 140.1 Ų | 140.1 | 100% | 1.256 | 70% | 0.701 | S | S | * | * | trans | -147.6 | 0 | -179 | 0 | 0 | 0 | 0 | 0 | 111.8 |
Retrieved 646 of 646 residues in 254.3 ms
(Link to these results)