| 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 | 45.1 | Very low | 59.1 | Low | 215 Ų | 215 | 161.3 Ų | 161.3 | 100% | 1.059 | 85% | 0.854 | S | S | * | * | 0 | 100.9 | 0 | -65.1 | -75.9 | -173.3 | 0 | 0 | 107.2 | F3 | M1-F3 PolarHBondContact O-N 3.32Š| |||
| 2 | P | 68.1 | Low | 59.5 | Low | 132 Ų | 132 | 160.3 Ų | 160.3 | 86% | 0.857 | 85% | 0.85 | S | S | * | * | trans | -77.3 | 112.4 | 170.1 | 31 | -25.8 | 0 | 0 | 0 | 107.6 | S4 | P2-S4 PolarHBondContact O-N 2.61Š| ||
| 3 | F | 56.9 | Low | 59.8 | Low | 191 Ų | 191 | 162.5 Ų | 162.5 | 84% | 0.838 | 84% | 0.841 | S | S | * | * | trans | -73.3 | 119.7 | 169.3 | -90.9 | -93 | 0 | 0 | 0 | 108.2 | M1 P5 | M1-F3 PolarHBondContact O-N 3.32Å; F3-P5 WeakPolarHBondContact O-CD 3.33Å | ||
| 4 | S | 64 | Low | 60.1 | Low | 108 Ų | 108 | 158.9 Ų | 158.9 | 76% | 0.755 | 84% | 0.837 | S | S | * | * | trans | -74.5 | 123.4 | 166.3 | -78.1 | 0 | 0 | 0 | 0 | 109.1 | P2 L6 | P2-S4 PolarHBondContact O-N 2.61Å; S4-L6 PolarHBondContact O-N 2.96Å | ||
| 5 | P | 62.5 | Low | 60.4 | Low | 129 Ų | 129 | 161.2 Ų | 161.2 | 84% | 0.838 | 84% | 0.841 | S | S | * | * | trans | -91.7 | 93.1 | 168.9 | 17.6 | -0.8 | 0 | 0 | 0 | 108.8 | F3 | F3-P5 WeakPolarHBondContact O-CD 3.33Š| ||
| 6 | L | 56.9 | Low | 60.4 | Low | 160 Ų | 160 | 159.3 Ų | 159.3 | 84% | 0.838 | 83% | 0.831 | S | S | * | * | trans | -144.6 | 13.4 | 176.2 | -120.8 | 145.9 | 0 | 0 | 0 | 114.6 | S4 | S4-L6 PolarHBondContact O-N 2.96Š| ||
| 7 | E | 58.2 | Low | 60.5 | Low | 186 Ų | 186 | 160.5 Ų | 160.5 | 87% | 0.869 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -137.7 | 85.5 | 178.4 | -68.4 | 178.6 | 178.8 | 0 | 0 | 108.4 | ||
| 8 | L | 59.1 | Low | 60.4 | Low | 163 Ų | 163 | 158.4 Ų | 158.4 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | trans | 177.9 | 60.5 | 166.1 | -99.5 | 151.7 | 0 | 0 | 0 | 110 | ||||
| 9 | L | 57.5 | Low | 60.2 | Low | 169 Ų | 169 | 155.2 Ų | 155.2 | 89% | 0.885 | 83% | 0.826 | S | S | * | * | trans | -145.5 | 56.6 | 164.9 | -76.3 | -179.6 | 0 | 0 | 0 | 109.2 | ||||
| 10 | D | 57.1 | Low | 60.1 | Low | 156 Ų | 156 | 154.3 Ų | 154.3 | 83% | 0.834 | 83% | 0.827 | S | S | * | * | trans | -123.2 | 75.4 | 164.3 | -82.1 | -27.3 | 0 | 0 | 0 | 106.8 | ||||
| 11 | E | 64.9 | Low | 59.9 | Low | 165 Ų | 165 | 151.2 Ų | 151.2 | 77% | 0.771 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -164.6 | 107.3 | 168.9 | -101.8 | 144.1 | -147.8 | 0 | 0 | 109.4 | ||
| 12 | D | 63.5 | Low | 60.4 | Low | 149 Ų | 149 | 150 Ų | 150 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | trans | 58.3 | 74.3 | 151 | -60.1 | -20.9 | 0 | 0 | 0 | 120.5 | ||||
| 13 | Y | 63.9 | Low | 60 | Low | 190 Ų | 190 | 153 Ų | 153 | 75% | 0.745 | 81% | 0.814 | S | S | * | * | trans | -109.8 | 20.2 | 159.7 | -97.7 | -86.8 | 0 | 0 | 0 | 114 | E15 L16 | Y13-E15 VanDerWaalsContact C-N 3.32Å; Y13-E15 PolarHBondContact O-N 3.46Å; Y13-L16 HydrophobicContact CD1-CD1 4.42Å; Y13-L16 HydrophobicContact CE1-CD1 4.38Å | ||
| 14 | S | 63.9 | Low | 60.2 | Low | 111 Ų | 111 | 153.6 Ų | 153.6 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -4.6 | -174.3 | -55.9 | 0 | 0 | 0 | 0 | 115 | ||
| 15 | E | 64.8 | Low | 59.5 | Low | 194 Ų | 194 | 156.4 Ų | 156.4 | 91% | 0.907 | 82% | 0.823 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | -0.4 | -174.4 | -66.8 | -166.8 | 164.3 | 0 | 0 | 115.4 | Y13 | Y13-E15 VanDerWaalsContact C-N 3.32Å; Y13-E15 PolarHBondContact O-N 3.46Å |
| 16 | L | 60.2 | Low | 59.3 | Low | 130 Ų | 130 | 158.9 Ų | 158.9 | 68% | 0.681 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -101.8 | 5.4 | -172.5 | -103.4 | 139.4 | 0 | 0 | 0 | 115.8 | Y13 | Y13-L16 HydrophobicContact CD1-CD1 4.42Å; Y13-L16 HydrophobicContact CE1-CD1 4.38Å |
| 17 | F | 61.2 | Low | 59.5 | Low | 181 Ų | 181 | 160.7 Ų | 160.7 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -128.3 | 111.3 | 172.1 | -66.2 | -79.4 | 0 | 0 | 0 | 110 | A19 | F17-A19 PolarHBondContact O-N 3.09Å; F17-A19 VanDerWaalsContact O-N 3.14Å |
| 18 | P | 59.8 | Low | 59.5 | Low | 122 Ų | 122 | 159.7 Ų | 159.7 | 79% | 0.792 | 82% | 0.824 | S | S | * | * | trans | -61.5 | 122.1 | 169.7 | 25.3 | -30 | 0 | 0 | 0 | 107.9 | T20 | P18-T20 PolarHBondContact O-N 2.89Å; P18-T20 VanDerWaalsContact O-N 3.11Å | ||
| 19 | A | 56.6 | Low | 59.6 | Low | 98 Ų | 98 | 159.6 Ų | 159.6 | 81% | 0.81 | 82% | 0.824 | S | S | * | * | trans | -45.6 | 118.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | F17 A21 | F17-A19 PolarHBondContact O-N 3.09Å; F17-A19 VanDerWaalsContact O-N 3.14Å; A19-A21 PolarHBondContact O-N 2.93Å | ||
| 20 | T | 58.8 | Low | 59.1 | Low | 136 Ų | 136 | 162.3 Ų | 162.3 | 83% | 0.834 | 82% | 0.822 | S | S | * | * | trans | -63.4 | 106.7 | 167.4 | 33.6 | 0 | 0 | 0 | 0 | 107.2 | P18 E22 | P18-T20 PolarHBondContact O-N 2.89Å; P18-T20 VanDerWaalsContact O-N 3.11Å; T20-E22 PolarHBondContact O-N 3.39Å | ||
| 21 | A | 55.6 | Low | 59.2 | Low | 91 Ų | 91 | 166.9 Ų | 166.9 | 75% | 0.752 | 83% | 0.828 | S | S | * | * | trans | -58.2 | 109.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | A19 K23 | A19-A21 PolarHBondContact O-N 2.93Å; A21-K23 PolarHBondContact O-N 3.48Å | ||
| 22 | E | 55.5 | Low | 58.5 | Low | 189 Ų | 189 | 166.8 Ų | 166.8 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | trans | -57.5 | 102 | 165.3 | -71 | -177.1 | 148.9 | 0 | 0 | 109.4 | T20 K24 | T20-E22 PolarHBondContact O-N 3.39Å; E22-K24 PolarHBondContact O-N 3.18Å | ||
| 23 | K | 60.1 | Low | 58.1 | Low | 196 Ų | 196 | 164.3 Ų | 164.3 | 85% | 0.852 | 83% | 0.828 | S | S | * | * | trans | -78.1 | 106.9 | 166.8 | -83.2 | -175.7 | 176.5 | 178.7 | 0 | 108.9 | A21 N25 | A21-K23 PolarHBondContact O-N 3.48Å; K23-N25 PolarHBondContact O-N 3.39Å | ||
| 24 | K | 60.3 | Low | 57.8 | Low | 202 Ų | 202 | 163.8 Ų | 163.8 | 88% | 0.878 | 83% | 0.829 | S | S | * | * | trans | -50 | 126.6 | 167.7 | -71.8 | 176.4 | 176.2 | 175.6 | 0 | 110.6 | E22 E26 | E22-K24 PolarHBondContact O-N 3.18Å; K24-E26 PolarHBondContact O-N 3.28Å; K24-E26 VanDerWaalsContact O-N 3.11Å | ||
| 25 | N | 50.2 | Low | 57.3 | Low | 167 Ų | 167 | 164.8 Ų | 164.8 | 89% | 0.893 | 83% | 0.826 | S | S | * | * | trans | -67.5 | 97.3 | 169.4 | -70.2 | -38.9 | 0 | 0 | 0 | 109.8 | K23 | K23-N25 PolarHBondContact O-N 3.39Š| ||
| 26 | E | 57.3 | Low | 56.8 | Low | 182 Ų | 182 | 164.1 Ų | 164.1 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | trans | -97.2 | 119.5 | 170.7 | -165.5 | 151.4 | -165 | 0 | 0 | 110.4 | K24 I28 | K24-E26 PolarHBondContact O-N 3.28Å; K24-E26 VanDerWaalsContact O-N 3.11Å; E26-I28 PolarHBondContact O-N 2.95Å | ||
| 27 | K | 61.3 | Low | 56.4 | Low | 198 Ų | 198 | 166.2 Ų | 166.2 | 86% | 0.861 | 83% | 0.829 | S | S | * | * | trans | -63.6 | 118.5 | -176.2 | -75 | 170.4 | 174.1 | 173.9 | 0 | 110.8 | N29 | K27-N29 PolarHBondContact O-N 2.93Š| ||
| 28 | I | 58.3 | Low | 56.1 | Low | 165 Ų | 165 | 166.2 Ų | 166.2 | 85% | 0.846 | 83% | 0.831 | S | S | * | * | trans | -74.2 | 113.7 | 168.8 | -66.4 | 169.7 | 0 | 0 | 0 | 108.9 | E26 | E26-I28 PolarHBondContact O-N 2.95Š| ||
| 29 | N | 60.6 | Low | 55.6 | Low | 160 Ų | 160 | 167.3 Ų | 167.3 | 86% | 0.856 | 83% | 0.825 | S | S | * | * | trans | -82 | 120.4 | 166.1 | -94.7 | -33.7 | 0 | 0 | 0 | 110.3 | K27 | K27-N29 PolarHBondContact O-N 2.93Š| ||
| 30 | R | 47.4 | Very low | 55.7 | Low | 227 Ų | 227 | 170.2 Ų | 170.2 | 86% | 0.857 | 83% | 0.827 | S | S | * | * | trans | -70.2 | 123.4 | 175.1 | -163 | -179.7 | -164.7 | 170.1 | 2.9 | 109.7 | ||||
| 31 | R | 58.8 | Low | 55.6 | Low | 251 Ų | 251 | 171 Ų | 171 | 95% | 0.947 | 83% | 0.826 | S | S | * | * | trans | -137.5 | 132.9 | 157.1 | -94.3 | -170.8 | 179.4 | 171.8 | 0.5 | 111.3 | ||||
| 32 | E | 51.6 | Low | 55.7 | Low | 163 Ų | 163 | 172.9 Ų | 172.9 | 76% | 0.762 | 83% | 0.828 | S | S | * | * | trans | -85.7 | 144.9 | -168.8 | -56.8 | 168.8 | 155.7 | 0 | 0 | 112 | ||||
| 33 | A | 53.8 | Low | 56.1 | Low | 98 Ų | 98 | 168.9 Ų | 168.9 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | trans | -163.5 | 96.8 | 150 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 34 | K | 57.4 | Low | 55.7 | Low | 179 Ų | 179 | 168.1 Ų | 168.1 | 78% | 0.778 | 82% | 0.818 | S | S | * | * | 53.8 | 120.6 | 83.2 | -73.7 | -170 | -179.4 | 177.6 | 0 | 115.6 | |||||
| 35 | N | 54.3 | Low | 55.5 | Low | 131 Ų | 131 | 165.1 Ų | 165.1 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | trans | 84.4 | 109.4 | 153.4 | -57.8 | -11.5 | 0 | 0 | 0 | 118 | ||||
| 36 | H | 54.1 | Low | 55.9 | Low | 180 Ų | 180 | 164.9 Ų | 164.9 | 83% | 0.833 | 80% | 0.804 | S | S | * | * | -168.8 | 136.6 | 80.1 | -97.7 | 75.2 | 0 | 0 | 0 | 110.6 | |||||
| 37 | Q | 51.4 | Low | 55.8 | Low | 174 Ų | 174 | 164.6 Ų | 164.6 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | trans | -74 | 142.3 | 167.3 | -65.7 | -168.8 | -41.7 | 0 | 0 | 109.9 | ||||
| 38 | H | 54 | Low | 55.7 | Low | 181 Ų | 181 | 160.5 Ų | 160.5 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -149.7 | 127.6 | 134.1 | -149.8 | -67.8 | 0 | 0 | 0 | 109 | ||||
| 39 | E | 50.7 | Low | 55.2 | Low | 145 Ų | 145 | 160.6 Ų | 160.6 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | trans | -64.4 | 146.7 | 176.8 | -56.1 | -179.9 | 152.3 | 0 | 0 | 110.6 | ||||
| 40 | D | 57.6 | Low | 55.1 | Low | 159 Ų | 159 | 161.3 Ų | 161.3 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | trans | -152.4 | 113.5 | 141.9 | -89.8 | -32.2 | 0 | 0 | 0 | 110.1 | ||||
| 41 | N | 57.6 | Low | 55.4 | Low | 152 Ų | 152 | 158.3 Ų | 158.3 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | trans | -63.1 | 125.6 | 170.9 | -86 | -52.4 | 0 | 0 | 0 | 110.4 | ||||
| 42 | V | 57 | Low | 55.3 | Low | 131 Ų | 131 | 156 Ų | 156 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | -130.5 | 119.6 | 159.8 | -176.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 43 | P | 63.7 | Low | 55.9 | Low | 106 Ų | 106 | 153.8 Ų | 153.8 | 69% | 0.688 | 79% | 0.791 | S | S | * | * | trans | -72.3 | 138.5 | -178.6 | 26.8 | -30.6 | 0 | 0 | 0 | 111.8 | I45 | P43-I45 PolarHBondContact O-N 3.04Š| ||
| 44 | Q | 52.6 | Low | 56 | Low | 180 Ų | 180 | 157.9 Ų | 157.9 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | trans | -59 | 112 | 167 | -87.6 | 175.5 | -31.5 | 0 | 0 | 110.2 | ||||
| 45 | I | 56.1 | Low | 55.9 | Low | 139 Ų | 139 | 156.7 Ų | 156.7 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | trans | -90.1 | 108.5 | 164.4 | -60.1 | 175.4 | 0 | 0 | 0 | 107.1 | P43 M47 | P43-I45 PolarHBondContact O-N 3.04Å; I45-M47 PolarHBondContact O-N 3.46Å; I45-M47 VanDerWaalsContact O-N 3.11Å | ||
| 46 | H | 58.3 | Low | 56 | Low | 162 Ų | 162 | 162.4 Ų | 162.4 | 75% | 0.75 | 81% | 0.807 | S | S | * | * | trans | -64.5 | 102.9 | 164.3 | -87 | -84.5 | 0 | 0 | 0 | 108.9 | T48 | H46-T48 PolarHBondContact O-N 2.81Å; H46-T48 VanDerWaalsContact O-N 3.16Å | ||
| 47 | M | 54.9 | Low | 56.2 | Low | 175 Ų | 175 | 159.1 Ų | 159.1 | 86% | 0.862 | 81% | 0.805 | S | S | * | * | trans | -73.1 | 98.9 | 164.4 | -74.9 | -94.8 | 175.6 | 0 | 0 | 107.9 | I45 | I45-M47 PolarHBondContact O-N 3.46Å; I45-M47 VanDerWaalsContact O-N 3.11Å | ||
| 48 | T | 58.7 | Low | 56.4 | Low | 113 Ų | 113 | 161 Ų | 161 | 69% | 0.693 | 81% | 0.806 | S | S | * | * | trans | -81.7 | 112.6 | 166.9 | 48.9 | 0 | 0 | 0 | 0 | 109.2 | H46 K50 | H46-T48 PolarHBondContact O-N 2.81Å; H46-T48 VanDerWaalsContact O-N 3.16Å; T48-K50 PolarHBondContact O-N 2.78Å; T48-K50 VanDerWaalsContact O-N 3.12Å | ||
| 49 | D | 48.1 | Very low | 56.7 | Low | 166 Ų | 166 | 162 Ų | 162 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | trans | -59.1 | 107.3 | 165.6 | -77.5 | -35.1 | 0 | 0 | 0 | 110 | ||||
| 50 | K | 58.2 | Low | 57 | Low | 176 Ų | 176 | 163.7 Ų | 163.7 | 77% | 0.765 | 82% | 0.816 | S | S | * | * | trans | -133.9 | 102.7 | 164.4 | -76.1 | -169.6 | 179 | -177.3 | 0 | 110.5 | T48 | T48-K50 PolarHBondContact O-N 2.78Å; T48-K50 VanDerWaalsContact O-N 3.12Å | ||
| 51 | L | 54.1 | Low | 56.7 | Low | 163 Ų | 163 | 159.9 Ų | 159.9 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | trans | 57.9 | 92.7 | 134 | -57 | 171.6 | 0 | 0 | 0 | 117.3 | ||||
| 52 | F | 58 | Low | 56.3 | Low | 204 Ų | 204 | 157.8 Ų | 157.8 | 90% | 0.895 | 81% | 0.811 | S | S | * | * | trans | -72.8 | 128.6 | 149.7 | -96.4 | -92.2 | 0 | 0 | 0 | 109.6 | ||||
| 53 | P | 64.3 | Low | 56.1 | Low | 116 Ų | 116 | 158.9 Ų | 158.9 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | trans | -84.3 | 108.4 | 162.2 | 27.2 | -19.9 | 0 | 0 | 0 | 109.4 | N55 | P53-N55 PolarHBondContact O-N 3.39Š| ||
| 54 | E | 54.3 | Low | 55.6 | Low | 183 Ų | 183 | 162 Ų | 162 | 86% | 0.855 | 82% | 0.824 | S | S | * | * | trans | -68.6 | 108.1 | 162 | -76.5 | -179.6 | 156 | 0 | 0 | 108.9 | ||||
| 55 | N | 55.4 | Low | 55.4 | Low | 155 Ų | 155 | 159.4 Ų | 159.4 | 83% | 0.829 | 83% | 0.825 | S | S | * | * | trans | -161.7 | 79 | 157.5 | -99.8 | -21.7 | 0 | 0 | 0 | 109.2 | P53 | P53-N55 PolarHBondContact O-N 3.39Š| ||
| 56 | W | 56.3 | Low | 55.2 | Low | 250 Ų | 250 | 157.9 Ų | 157.9 | 95% | 0.947 | 83% | 0.827 | S | S | * | * | trans | -116.6 | 94.5 | 161.3 | -84.5 | 62.3 | 0 | 0 | 0 | 108 | Y58 | W56-Y58 PolarHBondContact O-N 3.29Š| ||
| 57 | S | 59.5 | Low | 55 | Low | 112 Ų | 112 | 157.9 Ų | 157.9 | 78% | 0.783 | 83% | 0.829 | S | S | * | * | trans | -67.6 | 115.3 | 169.2 | 169.6 | 0 | 0 | 0 | 0 | 109.1 | K59 | S57-K59 PolarHBondContact O-N 2.98Š| ||
| 58 | Y | 56.1 | Low | 54.7 | Low | 214 Ų | 214 | 155.2 Ų | 155.2 | 84% | 0.839 | 82% | 0.823 | S | S | * | * | trans | -64.9 | 112.2 | 167.4 | -114.9 | -105 | 0 | 0 | 0 | 109.1 | W56 | W56-Y58 PolarHBondContact O-N 3.29Š| ||
| 59 | K | 58.5 | Low | 54.5 | Low | 200 Ų | 200 | 154.6 Ų | 154.6 | 87% | 0.87 | 82% | 0.818 | S | S | * | * | trans | -98.2 | 105.3 | 157.4 | -99.5 | -171.2 | 176.8 | -178.1 | 0 | 108.2 | S57 G61 | S57-K59 PolarHBondContact O-N 2.98Å; K59-G61 PolarHBondContact O-N 3.07Å | ||
| 60 | E | 57.3 | Low | 54.3 | Low | 181 Ų | 181 | 157.8 Ų | 157.8 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | trans | -63.5 | 110.8 | 166.6 | -71.2 | -178.3 | 156.2 | 0 | 0 | 109.5 | ||||
| 61 | G | 51.2 | Low | 54.3 | Low | 79 Ų | 79 | 155.5 Ų | 155.5 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | trans | -108.5 | 79.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | K59 N63 | K59-G61 PolarHBondContact O-N 3.07Å; G61-N63 PolarHBondContact O-N 2.88Å | ||
| 62 | S | 50.1 | Low | 53.9 | Low | 109 Ų | 109 | 153.7 Ų | 153.7 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | trans | -73.4 | 113 | 167.2 | -177 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 63 | N | 53.5 | Low | 53.3 | Low | 153 Ų | 153 | 148.7 Ų | 148.7 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -168 | 92.9 | 160.9 | -87.4 | -29.8 | 0 | 0 | 0 | 109.3 | G61 | G61-N63 PolarHBondContact O-N 2.88Š| ||
| 64 | N | 51.4 | Low | 52.9 | Low | 173 Ų | 173 | 152.2 Ų | 152.2 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | trans | -140.9 | 86.1 | 157.4 | -86.6 | -26.1 | 0 | 0 | 0 | 108.4 | S66 | N64-S66 PolarHBondContact O-N 3.35Š| ||
| 65 | S | 49.1 | Very low | 52.6 | Low | 125 Ų | 125 | 153.5 Ų | 153.5 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -80.7 | 103.3 | 166.1 | -172.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 66 | S | 52.2 | Low | 52.5 | Low | 107 Ų | 107 | 158 Ų | 158 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | trans | -91.9 | 98.5 | 174.7 | 171 | 0 | 0 | 0 | 0 | 109.1 | N64 V68 | N64-S66 PolarHBondContact O-N 3.35Å; S66-V68 PolarHBondContact O-N 3.36Å | ||
| 67 | M | 53.1 | Low | 52.2 | Low | 161 Ų | 161 | 152.5 Ų | 152.5 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | trans | -74.7 | 109.3 | 174 | -168.7 | 177.9 | 161.9 | 0 | 0 | 109.8 | V69 | M67-V69 HydrophobicContact CE-CG2 3.77Å; M67-V69 HydrophobicContact CG-CG2 4.26Å; M67-V69 PolarHBondContact O-N 2.85Å | ||
| 68 | V | 49.4 | Very low | 52 | Low | 119 Ų | 119 | 155.6 Ų | 155.6 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | trans | -77.2 | 112.3 | 171 | 173.7 | 0 | 0 | 0 | 0 | 108.3 | S66 | S66-V68 PolarHBondContact O-N 3.36Š| ||
| 69 | V | 55.5 | Low | 51.5 | Low | 100 Ų | 100 | 153.6 Ų | 153.6 | 61% | 0.606 | 81% | 0.805 | S | S | * | * | trans | -111.6 | 108.8 | 167.3 | 176.7 | 0 | 0 | 0 | 0 | 108.3 | M67 T71 | M67-V69 HydrophobicContact CE-CG2 3.77Å; M67-V69 HydrophobicContact CG-CG2 4.26Å; M67-V69 PolarHBondContact O-N 2.85Å; V69-T71 HydrophobicContact CG1-CG2 4.11Å | ||
| 70 | R | 43.7 | Very low | 51.3 | Low | 233 Ų | 233 | 151.1 Ų | 151.1 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | trans | -81.5 | 124.1 | 163.7 | -78.3 | 175.4 | 170.1 | 159 | -3.4 | 107.8 | ||||
| 71 | T | 57.8 | Low | 51.1 | Low | 128 Ų | 128 | 147.7 Ų | 147.7 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -125.3 | 124.1 | 160.6 | 45.9 | 0 | 0 | 0 | 0 | 109.2 | V69 | V69-T71 HydrophobicContact CG1-CG2 4.11Š| ||
| 72 | T | 45.7 | Very low | 51 | Low | 126 Ų | 126 | 149.1 Ų | 149.1 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -80.8 | 164 | -179.7 | 43.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 73 | S | 45.6 | Very low | 51.4 | Low | 99 Ų | 99 | 149.3 Ų | 149.3 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | trans | 67.2 | 117.6 | 152.1 | 68.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 74 | E | 56.3 | Low | 51.1 | Low | 189 Ų | 189 | 150.1 Ų | 150.1 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | -171.9 | 150.6 | 95 | -99.9 | 174.3 | 176.9 | 0 | 0 | 113.2 | |||||
| 75 | Y | 47.8 | Very low | 51.4 | Low | 211 Ų | 211 | 147.8 Ų | 147.8 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | trans | -53.9 | 143.9 | 178.8 | -96.3 | -117.7 | 0 | 0 | 0 | 115.5 | ||||
| 76 | R | 53.5 | Low | 51.6 | Low | 249 Ų | 249 | 150.2 Ų | 150.2 | 94% | 0.94 | 79% | 0.787 | S | S | * | * | -162.1 | 127.9 | 123.4 | -120.9 | 178 | -169.9 | 178.6 | 2.9 | 114 | |||||
| 77 | N | 48.5 | Very low | 51.8 | Low | 135 Ų | 135 | 149.6 Ų | 149.6 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | trans | -68.3 | 152.9 | 169 | -91.9 | -26 | 0 | 0 | 0 | 112.4 | ||||
| 78 | E | 55.4 | Low | 51.8 | Low | 177 Ų | 177 | 147.5 Ų | 147.5 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | 153.3 | 99.9 | 130.3 | -84.8 | 177.5 | -166.9 | 0 | 0 | 107.9 | ||||
| 79 | Q | 47.1 | Very low | 51.6 | Low | 171 Ų | 171 | 151.7 Ų | 151.7 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | 86.3 | 130.6 | 88 | -93 | -157.5 | 24.2 | 0 | 0 | 113.9 | |||||
| 80 | L | 52.3 | Low | 51.9 | Low | 148 Ų | 148 | 154.1 Ų | 154.1 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | trans | 102.4 | 104.1 | 149.3 | -66.9 | 151.3 | 0 | 0 | 0 | 119.4 | ||||
| 81 | S | 53.6 | Low | 51.9 | Low | 110 Ų | 110 | 151.7 Ų | 151.7 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | 109.6 | 98.8 | 125.8 | -58.8 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 82 | S | 49.8 | Very low | 52 | Low | 109 Ų | 109 | 153.1 Ų | 153.1 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | -68.6 | 171.5 | 150.2 | -134.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 83 | P | 58.6 | Low | 51.9 | Low | 112 Ų | 112 | 155.7 Ų | 155.7 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | -147.4 | 149.1 | 54.6 | 33.4 | -9.4 | 0 | 0 | 0 | 118.5 | |||||
| 84 | E | 47.7 | Very low | 52.5 | Low | 171 Ų | 171 | 156.6 Ų | 156.6 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | 48.2 | 117.1 | 117 | -136.1 | 161.5 | -144.8 | 0 | 0 | 120.3 | |||||
| 85 | S | 56.8 | Low | 52.3 | Low | 124 Ų | 124 | 153 Ų | 153 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -145.4 | 115.9 | 150.9 | 70.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 86 | E | 53 | Low | 52.3 | Low | 176 Ų | 176 | 150.5 Ų | 150.5 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | -79.2 | 162.1 | 179.9 | -70.6 | 179.4 | 121.5 | 0 | 0 | 114.8 | ||||
| 87 | A | 56.6 | Low | 52.2 | Low | 93 Ų | 93 | 143.3 Ų | 143.3 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | 94 | 156.5 | 141.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 88 | P | 52.9 | Low | 52.3 | Low | 118 Ų | 118 | 142.7 Ų | 142.7 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | cis | -130.1 | 156.1 | -10.2 | 22 | 1.4 | 0 | 0 | 0 | 115.6 | ||||
| 89 | K | 45.6 | Very low | 52 | Low | 207 Ų | 207 | 143.3 Ų | 143.3 | 90% | 0.9 | 78% | 0.777 | S | S | * | * | trans | -70 | 130.7 | 164.7 | -92.6 | 169.6 | 172.8 | 171.1 | 0 | 110.7 | ||||
| 90 | I | 62 | Low | 52.2 | Low | 151 Ų | 151 | 143 Ų | 143 | 77% | 0.774 | 78% | 0.776 | S | S | * | * | trans | -102.6 | 115 | 165.4 | -63.7 | 173.7 | 0 | 0 | 0 | 108 | L92 | I90-L92 HydrophobicContact CG2-CD1 4.01Š| ||
| 91 | Q | 44.1 | Very low | 51.9 | Low | 181 Ų | 181 | 147 Ų | 147 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | -83.4 | 131.5 | 163.4 | -72.5 | 175.4 | -12.2 | 0 | 0 | 108.3 | ||||
| 92 | L | 59.1 | Low | 51.6 | Low | 159 Ų | 159 | 149.3 Ų | 149.3 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -136 | 104.1 | 159.5 | -115.5 | 115.7 | 0 | 0 | 0 | 107.7 | I90 | I90-L92 HydrophobicContact CG2-CD1 4.01Š| ||
| 93 | E | 43.5 | Very low | 51.5 | Low | 179 Ų | 179 | 149.2 Ų | 149.2 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | trans | -73.8 | 135 | 163.1 | -70.8 | 179.7 | 151.8 | 0 | 0 | 109.1 | ||||
| 94 | S | 57.5 | Low | 51 | Low | 118 Ų | 118 | 150.5 Ų | 150.5 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -155.9 | 148.7 | 137.3 | -87.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 95 | P | 52.3 | Low | 51 | Low | 114 Ų | 114 | 151.5 Ų | 151.5 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | trans | -102.5 | -176.1 | -156.3 | 35.7 | -23.1 | 0 | 0 | 0 | 111.4 | ||||
| 96 | H | 48.3 | Very low | 50.7 | Low | 158 Ų | 158 | 156.5 Ų | 156.5 | 73% | 0.731 | 79% | 0.794 | S | S | * | * | trans | 110 | 119 | 148.1 | -133.5 | -80 | 0 | 0 | 0 | 116.6 | ||||
| 97 | T | 50.8 | Low | 50.7 | Low | 98 Ų | 98 | 155 Ų | 155 | 60% | 0.601 | 79% | 0.79 | S | S | * | * | trans | 68.9 | 120.5 | 152.3 | 35.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 98 | D | 50.9 | Low | 50.2 | Low | 122 Ų | 122 | 159.4 Ų | 159.4 | 65% | 0.652 | 80% | 0.797 | S | S | * | * | cis | -164.6 | 145.3 | 48.8 | -89.3 | -38.4 | 0 | 0 | 0 | 112.8 | ||||
| 99 | W | 50.2 | Low | 49.9 | Very low | 191 Ų | 191 | 162 Ų | 162 | 72% | 0.723 | 80% | 0.799 | S | S | * | * | trans | -25.6 | 158.1 | 151.4 | 55.7 | -68.6 | 0 | 0 | 0 | 116 | ||||
| 100 | E | 51.5 | Low | 50 | Low | 164 Ų | 164 | 159.2 Ų | 159.2 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | trans | 95.5 | 62 | 179.1 | -52.3 | -166.1 | 148.5 | 0 | 0 | 117.1 | ||||
| 101 | R | 44.7 | Very low | 49.4 | Very low | 231 Ų | 231 | 159.4 Ų | 159.4 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | -135.8 | 64.8 | 156.7 | -157.7 | -178.7 | -90 | -176.4 | -5.3 | 109.9 | ||||
| 102 | N | 48 | Very low | 49.4 | Very low | 160 Ų | 160 | 161.7 Ų | 161.7 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -155.6 | 68.8 | 170 | -91.8 | -16.5 | 0 | 0 | 0 | 109.3 | ||
| 103 | S | 47.6 | Very low | 48.8 | Very low | 107 Ų | 107 | 159.5 Ų | 159.5 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -158.6 | 6.2 | 168 | -101.3 | 0 | 0 | 0 | 0 | 116.2 | ||
| 104 | T | 47.7 | Very low | 49.1 | Very low | 138 Ų | 138 | 160.6 Ų | 160.6 | 85% | 0.847 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -98.5 | 7.5 | -177.1 | 38.8 | 0 | 0 | 0 | 0 | 114.9 | ||
| 105 | E | 48.3 | Very low | 48.5 | Very low | 192 Ų | 192 | 164.3 Ų | 164.3 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -111.5 | 17.4 | -173.5 | -135 | 166.6 | -156.5 | 0 | 0 | 114.4 | ||
| 106 | R | 50.8 | Low | 48.1 | Very low | 230 Ų | 230 | 166.4 Ų | 166.4 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -133.5 | 8.8 | -176.9 | -114.2 | -176.3 | -159.3 | 178 | 6.5 | 117.4 | ||
| 107 | I | 52.9 | Low | 47.7 | Very low | 143 Ų | 143 | 168 Ų | 168 | 73% | 0.733 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -119.6 | -4.4 | -175.6 | -60.3 | 177.6 | 0 | 0 | 0 | 113.1 | ||
| 108 | M | 45.4 | Very low | 47.5 | Very low | 186 Ų | 186 | 169.5 Ų | 169.5 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -95.6 | 11.4 | 178.9 | -79.6 | -101.9 | -78.5 | 0 | 0 | 114.6 | ||
| 109 | E | 47.8 | Very low | 47.2 | Very low | 174 Ų | 174 | 173.3 Ų | 173.3 | 81% | 0.813 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -109.6 | 21.9 | -174.9 | -147.5 | 172.7 | -160.5 | 0 | 0 | 114 | ||
| 110 | N | 47.4 | Very low | 47.1 | Very low | 148 Ų | 148 | 170.4 Ų | 170.4 | 79% | 0.791 | 84% | 0.838 | S | S | * | * | S | Bend | trans | -133 | 17.7 | -179.8 | -103.3 | -12.3 | 0 | 0 | 0 | 115.5 | ||
| 111 | I | 48.5 | Very low | 46.8 | Very low | 154 Ų | 154 | 167.9 Ų | 167.9 | 79% | 0.79 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -118.4 | 9.7 | -179.4 | -59.9 | 178.7 | 0 | 0 | 0 | 112.4 | ||
| 112 | Y | 44.4 | Very low | 46.8 | Very low | 230 Ų | 230 | 164.6 Ų | 164.6 | 90% | 0.902 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -120.5 | 41.6 | -173.8 | -115.6 | -86.9 | 0 | 0 | 0 | 114.5 | ||
| 113 | T | 47.5 | Very low | 46.6 | Very low | 112 Ų | 112 | 162.9 Ų | 162.9 | 69% | 0.687 | 82% | 0.823 | S | S | * | * | trans | -152.8 | 81.6 | 174.8 | 43.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 114 | H | 47.9 | Very low | 46.6 | Very low | 203 Ų | 203 | 165 Ų | 165 | 94% | 0.94 | 83% | 0.826 | S | S | * | * | trans | -177.8 | 62.2 | 154.8 | -95.1 | -60.6 | 0 | 0 | 0 | 110.5 | ||||
| 115 | K | 45.8 | Very low | 46.6 | Very low | 196 Ų | 196 | 166.4 Ų | 166.4 | 85% | 0.852 | 82% | 0.823 | S | S | * | * | trans | -142 | 130.8 | 160.3 | -88.6 | -177.6 | 178.4 | 173 | 0 | 106.6 | ||||
| 116 | N | 44 | Very low | 46.7 | Very low | 157 Ų | 157 | 165.3 Ų | 165.3 | 84% | 0.84 | 82% | 0.821 | S | S | * | * | trans | 96 | 92.9 | -177.5 | -49.9 | -22.9 | 0 | 0 | 0 | 113 | ||||
| 117 | E | 40.8 | Very low | 46.5 | Very low | 191 Ų | 191 | 159.4 Ų | 159.4 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | trans | 171.2 | 97.3 | 141 | -95.7 | 166.4 | -152.9 | 0 | 0 | 108.7 | ||||
| 118 | S | 45.3 | Very low | 46.5 | Very low | 131 Ų | 131 | 159.1 Ų | 159.1 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | trans | -173.5 | 76.6 | 153.5 | -80.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 119 | K | 45.3 | Very low | 46.8 | Very low | 201 Ų | 201 | 156.6 Ų | 156.6 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -125 | 115.3 | 157.4 | -85 | -174.9 | 177.5 | 179.9 | 0 | 106.1 | ||||
| 120 | T | 47 | Very low | 47.2 | Very low | 130 Ų | 130 | 155.8 Ų | 155.8 | 80% | 0.798 | 80% | 0.797 | S | S | * | * | trans | 169.5 | 116.6 | 145.3 | 36.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 121 | C | 45.9 | Very low | 47.4 | Very low | 111 Ų | 111 | 156.7 Ų | 156.7 | 75% | 0.75 | 80% | 0.796 | S | S | * | * | 75.9 | 133.4 | 116.6 | -53.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 122 | E | 44.1 | Very low | 47.6 | Very low | 163 Ų | 163 | 157.5 Ų | 157.5 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | cis | -174.9 | 151.3 | 21.2 | -130 | 172.4 | 160.4 | 0 | 0 | 107.8 | ||||
| 123 | N | 44.2 | Very low | 47.8 | Very low | 124 Ų | 124 | 154.2 Ų | 154.2 | 66% | 0.663 | 80% | 0.8 | S | S | * | * | trans | 41.7 | 118.1 | 145.5 | -73.7 | -18.9 | 0 | 0 | 0 | 120.7 | ||||
| 124 | N | 48.6 | Very low | 47.8 | Very low | 152 Ų | 152 | 153.4 Ų | 153.4 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | -162 | 138.9 | 97.1 | -89.5 | -32.2 | 0 | 0 | 0 | 113 | |||||
| 125 | Q | 46.6 | Very low | 47.6 | Very low | 166 Ų | 166 | 152.8 Ų | 152.8 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -48.7 | 151.8 | 176.6 | -68.5 | 151.8 | -20.2 | 0 | 0 | 114.1 | ||||
| 126 | I | 50.1 | Low | 47.7 | Very low | 170 Ų | 170 | 150.1 Ų | 150.1 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | -162.3 | 133 | 111.9 | -88.7 | 145.7 | 0 | 0 | 0 | 107.7 | |||||
| 127 | T | 47 | Very low | 47.6 | Very low | 106 Ų | 106 | 148.4 Ų | 148.4 | 65% | 0.65 | 81% | 0.806 | S | S | * | * | trans | -76.5 | 156.9 | -176.1 | 48.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 128 | D | 53.5 | Low | 47.8 | Very low | 136 Ų | 136 | 142.6 Ų | 142.6 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | 168 | 142.9 | 113.8 | -78.3 | -14.9 | 0 | 0 | 0 | 111.3 | |||||
| 129 | D | 50.6 | Low | 47.8 | Very low | 133 Ų | 133 | 142.7 Ų | 142.7 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | 97.9 | 99.4 | 150.3 | -61.7 | -14 | 0 | 0 | 0 | 123.5 | ||||
| 130 | E | 57.4 | Low | 47.8 | Very low | 158 Ų | 158 | 141.6 Ų | 141.6 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | 85.9 | 105.3 | 117.8 | -61.7 | -168.1 | 155.6 | 0 | 0 | 121.8 | |||||
| 131 | H | 51.3 | Low | 47.9 | Very low | 166 Ų | 166 | 143.1 Ų | 143.1 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | 49.3 | 117.4 | 125.7 | -68.4 | -79.5 | 0 | 0 | 0 | 121 | |||||
| 132 | L | 52.2 | Low | 47.9 | Very low | 171 Ų | 171 | 145.6 Ų | 145.6 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | 176.9 | 135 | 101.7 | -89.9 | 170.1 | 0 | 0 | 0 | 112.9 | |||||
| 133 | N | 48.8 | Very low | 48.1 | Very low | 162 Ų | 162 | 141.2 Ų | 141.2 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | trans | -76.8 | 149.9 | 176.9 | -71 | -38.2 | 0 | 0 | 0 | 113.2 | ||||
| 134 | A | 47.3 | Very low | 48.5 | Very low | 95 Ų | 95 | 145.1 Ų | 145.1 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | 179.8 | 95.7 | 142.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 135 | E | 44.7 | Very low | 48.4 | Very low | 189 Ų | 189 | 147.7 Ų | 147.7 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | 35.5 | 102.3 | 82.9 | -78.8 | -169.8 | 168.9 | 0 | 0 | 114.9 | |||||
| 136 | C | 46.7 | Very low | 48.5 | Very low | 141 Ų | 141 | 147.9 Ų | 147.9 | 95% | 0.953 | 82% | 0.819 | S | S | * | * | trans | -152.4 | 99.4 | 146.5 | -114 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 137 | S | 42.6 | Very low | 48.3 | Very low | 120 Ų | 120 | 144.8 Ų | 144.8 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | trans | -93 | 160.3 | 163 | 44.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 138 | G | 44.4 | Very low | 48.5 | Very low | 69 Ų | 69 | 148.1 Ų | 148.1 | 71% | 0.711 | 82% | 0.821 | S | S | * | * | trans | 111.3 | 132 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 139 | T | 46.3 | Very low | 48.5 | Very low | 134 Ų | 134 | 147.7 Ų | 147.7 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | cis | -163.2 | 137.2 | 21.3 | 37.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 140 | E | 44.3 | Very low | 48.2 | Very low | 177 Ų | 177 | 149.1 Ų | 149.1 | 83% | 0.827 | 82% | 0.822 | S | S | * | * | trans | -59.2 | 145.1 | 157.9 | -62.9 | 175.1 | 153.4 | 0 | 0 | 110.4 | ||||
| 141 | N | 50.4 | Low | 47.8 | Very low | 163 Ų | 163 | 151.6 Ų | 151.6 | 87% | 0.872 | 83% | 0.825 | S | S | * | * | trans | -156 | 121.5 | 148.1 | -100.4 | -31.2 | 0 | 0 | 0 | 112.2 | ||||
| 142 | N | 45.4 | Very low | 47.7 | Very low | 163 Ų | 163 | 153.7 Ų | 153.7 | 87% | 0.872 | 83% | 0.831 | S | S | * | * | trans | -65.8 | 149.5 | 173.4 | -70.6 | -57.6 | 0 | 0 | 0 | 112.3 | ||||
| 143 | G | 47.9 | Very low | 47.6 | Very low | 70 Ų | 70 | 153.5 Ų | 153.5 | 72% | 0.722 | 83% | 0.83 | S | S | * | * | trans | -171.3 | 97.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 144 | K | 53.2 | Low | 47.6 | Very low | 206 Ų | 206 | 153.5 Ų | 153.5 | 90% | 0.896 | 83% | 0.831 | S | S | * | * | trans | 74 | 92.6 | 141.1 | -65.2 | 177.4 | 177.4 | 177.7 | 0 | 120.2 | ||||
| 145 | K | 46.4 | Very low | 47.9 | Very low | 206 Ų | 206 | 153.9 Ų | 153.9 | 90% | 0.896 | 83% | 0.827 | S | S | * | * | -2.7 | 121.1 | 116.3 | -123 | 175.6 | -177.5 | 178.4 | 0 | 115.7 | |||||
| 146 | L | 47.9 | Very low | 48 | Very low | 170 Ų | 170 | 151.9 Ų | 151.9 | 89% | 0.89 | 82% | 0.823 | S | S | * | * | trans | -147.4 | 129.8 | 145.4 | -99.2 | 166.8 | 0 | 0 | 0 | 108.9 | ||||
| 147 | S | 46.8 | Very low | 48.1 | Very low | 105 Ų | 105 | 151.1 Ų | 151.1 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | trans | -112.8 | 128.4 | -178 | 49.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 148 | E | 50.6 | Low | 48.4 | Very low | 177 Ų | 177 | 153.5 Ų | 153.5 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | trans | -169.8 | 146 | 170 | -114 | 167.1 | -174.4 | 0 | 0 | 106.2 | ||||
| 149 | E | 52.4 | Low | 48.7 | Very low | 127 Ų | 127 | 153.6 Ų | 153.6 | 59% | 0.593 | 81% | 0.813 | S | S | * | * | cis | -164 | 129.6 | -22.2 | 173.5 | 176.8 | 175.4 | 0 | 0 | 102.8 | R151 | E149-R151 IonicContact OE1-CZ 3.8Å; E149-R151 IonicContact OE1-NE 3.43Å; E149-R151 PolarHBondContact OE1-NE 3.39Å; E149-R151 IonicContact OE1-NH2 3.5Å; E149-R151 PolarHBondContact OE1-NH2 2.83Å | ||
| 150 | N | 45.9 | Very low | 48.9 | Very low | 163 Ų | 163 | 155.8 Ų | 155.8 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | trans | -80.1 | 117.9 | 173.2 | -85.1 | -55.6 | 0 | 0 | 0 | 109.1 | ||||
| 151 | R | 48.5 | Very low | 49.2 | Very low | 210 Ų | 210 | 154.4 Ų | 154.4 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | trans | -139.6 | 99.7 | 154 | -76.6 | -168.4 | -171.9 | 177.2 | 3.1 | 111.6 | E149 L153 | E149-R151 IonicContact OE1-CZ 3.8Å; E149-R151 IonicContact OE1-NE 3.43Å; E149-R151 PolarHBondContact OE1-NE 3.39Å; E149-R151 IonicContact OE1-NH2 3.5Å; E149-R151 PolarHBondContact OE1-NH2 2.83Å; R151-L153 PolarHBondContact O-N 2.86Å | ||
| 152 | K | 48.6 | Very low | 49.3 | Very low | 209 Ų | 209 | 155.5 Ų | 155.5 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | trans | -69.2 | 115.8 | 156.6 | -74.8 | 176.8 | 175.4 | 178.6 | 0 | 108.1 | ||||
| 153 | L | 50.3 | Low | 50 | Low | 167 Ų | 167 | 155.5 Ų | 155.5 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -92.2 | 113.3 | 162.6 | -86.5 | 161.2 | 0 | 0 | 0 | 108.3 | R151 | R151-L153 PolarHBondContact O-N 2.86Š| ||
| 154 | N | 49.4 | Very low | 49.9 | Very low | 163 Ų | 163 | 160.4 Ų | 160.4 | 87% | 0.872 | 80% | 0.804 | S | S | * | * | trans | -100.5 | 108.5 | 169.3 | -137.2 | 6.2 | 0 | 0 | 0 | 105.8 | ||||
| 155 | S | 53.5 | Low | 50.2 | Low | 103 Ų | 103 | 156.9 Ų | 156.9 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | trans | -117.4 | 91.6 | 171.1 | 57.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 156 | N | 45.7 | Very low | 50.4 | Low | 146 Ų | 146 | 154 Ų | 154 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | trans | -93.8 | 101.1 | 164.4 | -174.2 | 11.8 | 0 | 0 | 0 | 107.1 | ||||
| 157 | T | 49.8 | Very low | 50.8 | Low | 125 Ų | 125 | 155.2 Ų | 155.2 | 77% | 0.767 | 80% | 0.796 | S | S | * | * | trans | -113.9 | 94.1 | 176.2 | -38.8 | 0 | 0 | 0 | 0 | 108.2 | G159 | T157-G159 PolarHBondContact O-N 3.45Š| ||
| 158 | Q | 49 | Very low | 51 | Low | 171 Ų | 171 | 156.7 Ų | 156.7 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | trans | -72.4 | 98.6 | 164.4 | -84.9 | -171.4 | -27.8 | 0 | 0 | 109.1 | ||||
| 159 | G | 49.6 | Very low | 51 | Low | 71 Ų | 71 | 153 Ų | 153 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | trans | -92.3 | 99.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110 | T157 L161 | T157-G159 PolarHBondContact O-N 3.45Å; G159-L161 PolarHBondContact O-N 2.89Å | ||
| 160 | K | 50.7 | Low | 51.1 | Low | 180 Ų | 180 | 153.1 Ų | 153.1 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | -66.8 | 113.3 | 165.1 | -81.5 | 174.9 | 175.2 | 174.7 | 0 | 108.6 | ||||
| 161 | L | 51.3 | Low | 51.4 | Low | 147 Ų | 147 | 149.2 Ų | 149.2 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | -119.3 | 103.4 | 164.4 | -145.3 | 85.1 | 0 | 0 | 0 | 108.2 | G159 | G159-L161 PolarHBondContact O-N 2.89Š| ||
| 162 | F | 52.3 | Low | 51.7 | Low | 187 Ų | 187 | 145.4 Ų | 145.4 | 82% | 0.82 | 80% | 0.796 | S | S | * | * | trans | -81.4 | 116.5 | 167.6 | -92.8 | -95.7 | 0 | 0 | 0 | 107.9 | ||||
| 163 | H | 60.1 | Low | 52 | Low | 162 Ų | 162 | 141.8 Ų | 141.8 | 75% | 0.75 | 79% | 0.792 | S | S | * | * | trans | -118.6 | 118.3 | 156.5 | -79.8 | -64.3 | 0 | 0 | 0 | 109.3 | ||||
| 164 | Q | 46.1 | Very low | 51.8 | Low | 173 Ų | 173 | 138 Ų | 138 | 81% | 0.808 | 78% | 0.779 | S | S | * | * | trans | -99.5 | 108.8 | 176.3 | -177.6 | 178.5 | 38.7 | 0 | 0 | 106.5 | ||||
| 165 | T | 60 | Low | 52 | Low | 133 Ų | 133 | 138.5 Ų | 138.5 | 82% | 0.816 | 78% | 0.778 | S | S | * | * | trans | -141.3 | 103.5 | 163.3 | 48.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 166 | N | 50.3 | Low | 51.7 | Low | 145 Ų | 145 | 140.8 Ų | 140.8 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | trans | -79.3 | 129.7 | 159.5 | -61.4 | -40.2 | 0 | 0 | 0 | 106.7 | ||||
| 167 | E | 55.2 | Low | 51.7 | Low | 195 Ų | 195 | 138.7 Ų | 138.7 | 91% | 0.911 | 78% | 0.779 | S | S | * | * | trans | -162.3 | 106.3 | 142.5 | -108.8 | 168.2 | -147.3 | 0 | 0 | 110.4 | ||||
| 168 | T | 51.6 | Low | 51.6 | Low | 137 Ų | 137 | 138.5 Ų | 138.5 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | trans | -19.9 | 136 | 150.5 | -49.5 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 169 | S | 50.7 | Low | 51.6 | Low | 98 Ų | 98 | 139 Ų | 139 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | 157.7 | 111 | 119.6 | 177.3 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 170 | V | 53.5 | Low | 51.5 | Low | 130 Ų | 130 | 141.9 Ų | 141.9 | 79% | 0.788 | 78% | 0.776 | S | S | * | * | trans | 80.4 | 110 | 130.9 | -176.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 171 | A | 53.2 | Low | 51.2 | Low | 81 Ų | 81 | 139.2 Ų | 139.2 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | trans | 72 | 127.3 | 138.8 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 172 | P | 54.3 | Low | 51 | Low | 130 Ų | 130 | 137 Ų | 137 | 84% | 0.844 | 78% | 0.777 | S | S | * | * | trans | -95.7 | 128.2 | 162.5 | 34.8 | -24.6 | 0 | 0 | 0 | 110.7 | ||||
| 173 | T | 54.9 | Low | 50.9 | Low | 134 Ų | 134 | 136.5 Ų | 136.5 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -104.7 | 111.9 | 167.7 | -50.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 174 | S | 45.7 | Very low | 50.3 | Low | 86 Ų | 86 | 134.6 Ų | 134.6 | 60% | 0.601 | 78% | 0.781 | S | S | * | * | trans | -27.2 | 129.8 | 153.5 | 165.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 175 | M | 55.4 | Low | 50.5 | Low | 174 Ų | 174 | 132 Ų | 132 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | trans | -151 | 116.3 | 144.7 | -88.5 | -61 | 116.8 | 0 | 0 | 109.7 | ||||
| 176 | N | 46.4 | Very low | 50.2 | Low | 151 Ų | 151 | 133 Ų | 133 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | trans | -69.7 | 141.9 | 162.9 | -68.2 | -38.9 | 0 | 0 | 0 | 110.3 | ||||
| 177 | S | 44.6 | Very low | 50.3 | Low | 102 Ų | 102 | 134 Ų | 134 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | 174.2 | 100 | 150.7 | 169.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 178 | V | 48.6 | Very low | 50.2 | Low | 122 Ų | 122 | 131.5 Ų | 131.5 | 74% | 0.739 | 77% | 0.771 | S | S | * | * | 54 | 106.4 | 99.6 | -174.9 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 179 | K | 48.1 | Very low | 50.4 | Low | 181 Ų | 181 | 130.2 Ų | 130.2 | 79% | 0.787 | 76% | 0.764 | S | S | * | * | 174.9 | 114.7 | 127.8 | -93.9 | 170.4 | -173.7 | -176.5 | 0 | 111.5 | |||||
| 180 | D | 48.6 | Very low | 50.8 | Low | 132 Ų | 132 | 134.1 Ų | 134.1 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | 53.9 | 109.5 | 126.8 | -53.2 | -26.6 | 0 | 0 | 0 | 120.1 | |||||
| 181 | S | 44.9 | Very low | 51 | Low | 124 Ų | 124 | 139 Ų | 139 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | 35.3 | 98.4 | 121.6 | -54.8 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 182 | S | 46.7 | Very low | 51 | Low | 101 Ų | 101 | 143.3 Ų | 143.3 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | -143.7 | 120.2 | 140.2 | 74.5 | 0 | 0 | 0 | 0 | 110.1 | T184 | S182-T184 PolarHBondContact O-N 3.06Å; S182-T184 VanDerWaalsContact O-N 3.17Å | ||
| 183 | L | 50 | Low | 51.4 | Low | 176 Ų | 176 | 144.7 Ų | 144.7 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | trans | -68.7 | 100 | 165.3 | -73.8 | 160.2 | 0 | 0 | 0 | 106.8 | C185 | L183-C185 PolarHBondContact O-N 2.93Š| ||
| 184 | T | 46.5 | Very low | 51.1 | Low | 121 Ų | 121 | 144.2 Ų | 144.2 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | trans | -75.5 | 99.6 | 166.6 | 27.6 | 0 | 0 | 0 | 0 | 109 | S182 I186 | S182-T184 PolarHBondContact O-N 3.06Å; S182-T184 VanDerWaalsContact O-N 3.17Å; T184-I186 PolarHBondContact O-N 3.41Å | ||
| 185 | C | 51.9 | Low | 51.7 | Low | 120 Ų | 120 | 148 Ų | 148 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -57.2 | 118 | 155.7 | -71.1 | 0 | 0 | 0 | 0 | 108.3 | L183 E187 | L183-C185 PolarHBondContact O-N 2.93Å; C185-E187 VanDerWaalsContact C-N 3.34Å; C185-E187 PolarHBondContact O-N 3.45Å; C185-E187 VanDerWaalsContact O-N 3.14Å | ||
| 186 | I | 53.5 | Low | 51.6 | Low | 152 Ų | 152 | 144.4 Ų | 144.4 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | -79.7 | 93.1 | 166.9 | -60.7 | 174.6 | 0 | 0 | 0 | 105.8 | T184 I188 | T184-I186 PolarHBondContact O-N 3.41Å; I186-I188 HydrophobicContact CG2-CG1 4.23Å; I186-I188 PolarHBondContact O-N 2.87Å | ||
| 187 | E | 51.5 | Low | 52.1 | Low | 166 Ų | 166 | 147.7 Ų | 147.7 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | -73.7 | 103.4 | 167.1 | -155.4 | 170.3 | -151.2 | 0 | 0 | 107.1 | C185 T189 | C185-E187 VanDerWaalsContact C-N 3.34Å; C185-E187 PolarHBondContact O-N 3.45Å; C185-E187 VanDerWaalsContact O-N 3.14Å; E187-T189 VanDerWaalsContact C-N 3.32Å; E187-T189 PolarHBondContact O-N 2.86Å | ||
| 188 | I | 53.5 | Low | 52.7 | Low | 143 Ų | 143 | 148.5 Ų | 148.5 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | trans | -73 | 93.9 | 173 | -60.2 | 174.4 | 0 | 0 | 0 | 106.2 | I186 E190 | I186-I188 HydrophobicContact CG2-CG1 4.23Å; I186-I188 PolarHBondContact O-N 2.87Å; I188-E190 HydrophobicContact CG2-CG 4.31Å; I188-E190 PolarHBondContact O-N 3.25Å | ||
| 189 | T | 56.3 | Low | 52.7 | Low | 111 Ų | 111 | 146.5 Ų | 146.5 | 68% | 0.681 | 78% | 0.781 | S | S | * | * | trans | -80.6 | 100.7 | 166.6 | 34.9 | 0 | 0 | 0 | 0 | 107.8 | E187 R191 | E187-T189 VanDerWaalsContact C-N 3.32Å; E187-T189 PolarHBondContact O-N 2.86Å; T189-R191 PolarHBondContact O-N 3.49Å | ||
| 190 | E | 58.3 | Low | 53 | Low | 180 Ų | 180 | 145.3 Ų | 145.3 | 84% | 0.841 | 78% | 0.783 | S | S | * | * | trans | -65.9 | 113.4 | 167.1 | -68.1 | -172.2 | 160.7 | 0 | 0 | 108.3 | I188 E192 | I188-E190 HydrophobicContact CG2-CG 4.31Å; I188-E190 PolarHBondContact O-N 3.25Å; E190-E192 PolarHBondContact O-N 2.9Å | ||
| 191 | R | 57 | Low | 53.3 | Low | 232 Ų | 232 | 147.7 Ų | 147.7 | 88% | 0.875 | 79% | 0.79 | S | S | * | * | trans | -75.4 | 112.8 | 171.6 | -73.5 | -174.3 | -168.9 | 162 | 3.6 | 109 | T189 N193 | T189-R191 PolarHBondContact O-N 3.49Å; R191-N193 PolarHBondContact O-N 3.37Å | ||
| 192 | E | 54.7 | Low | 53.8 | Low | 172 Ų | 172 | 149.4 Ų | 149.4 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -58.7 | 112 | 161.8 | -160.4 | 167.3 | -154.5 | 0 | 0 | 108.9 | E190 | E190-E192 PolarHBondContact O-N 2.9Š| ||
| 193 | N | 61.6 | Low | 54.3 | Low | 158 Ų | 158 | 153.3 Ų | 153.3 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | -101.6 | 91.5 | 169.9 | -99.8 | -15.4 | 0 | 0 | 0 | 107.5 | R191 N195 | R191-N193 PolarHBondContact O-N 3.37Å; N193-N195 PolarHBondContact O-N 2.93Å | ||
| 194 | D | 48.7 | Very low | 55 | Low | 125 Ų | 125 | 150.3 Ų | 150.3 | 67% | 0.668 | 79% | 0.786 | S | S | * | * | trans | -66.9 | 118.6 | 160.1 | -74.3 | -37.9 | 0 | 0 | 0 | 108.9 | ||||
| 195 | N | 59.4 | Low | 55.5 | Low | 165 Ų | 165 | 150.3 Ų | 150.3 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | trans | -171.1 | 134.7 | 149.5 | -90 | -39.9 | 0 | 0 | 0 | 111.4 | N193 | N193-N195 PolarHBondContact O-N 2.93Š| ||
| 196 | A | 53.6 | Low | 55.4 | Low | 99 Ų | 99 | 151.4 Ų | 151.4 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | 103.8 | 85 | 163.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 197 | R | 56.8 | Low | 55.3 | Low | 220 Ų | 220 | 153.4 Ų | 153.4 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | trans | -76.7 | 140.9 | 154.4 | -164.8 | -177.3 | -177.5 | -173.8 | 2.4 | 109.2 | ||||
| 198 | P | 56.4 | Low | 55.7 | Low | 119 Ų | 119 | 150.9 Ų | 150.9 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | -141.9 | 124.6 | 106 | 30.9 | -13.7 | 0 | 0 | 0 | 111.5 | |||||
| 199 | S | 49.1 | Very low | 55.7 | Low | 79 Ų | 79 | 150.9 Ų | 150.9 | 55% | 0.552 | 79% | 0.79 | S | S | * | * | 45.2 | 114.8 | 99.6 | -74.3 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 200 | D | 54.3 | Low | 55.5 | Low | 156 Ų | 156 | 152.8 Ų | 152.8 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | trans | 158.5 | 88.8 | 145.7 | -77.1 | -9.6 | 0 | 0 | 0 | 106.2 | ||||
| 201 | E | 53.7 | Low | 55.2 | Low | 182 Ų | 182 | 155.4 Ų | 155.4 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | 50.2 | 98 | 88.4 | -159.8 | 166.2 | -151 | 0 | 0 | 112.9 | |||||
| 202 | I | 56.3 | Low | 54.9 | Low | 160 Ų | 160 | 151 Ų | 151 | 82% | 0.821 | 80% | 0.796 | S | S | * | * | trans | -173.4 | 109.8 | 145.7 | -83.6 | 140.5 | 0 | 0 | 0 | 106.9 | ||||
| 203 | E | 57.2 | Low | 54.6 | Low | 183 Ų | 183 | 152.7 Ų | 152.7 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | -77.1 | 152.2 | 162.2 | -77.6 | -171.5 | 155 | 0 | 0 | 110.4 | ||||
| 204 | P | 64.8 | Low | 54.1 | Low | 114 Ų | 114 | 156.7 Ų | 156.7 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | trans | -135.6 | 115.8 | 132.4 | 32.5 | -18.6 | 0 | 0 | 0 | 114 | ||||
| 205 | V | 57 | Low | 54.1 | Low | 120 Ų | 120 | 158.5 Ų | 158.5 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | 30.4 | 101.4 | 124.4 | -171.8 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 206 | I | 49.8 | Very low | 53.9 | Low | 143 Ų | 143 | 158.5 Ų | 158.5 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | 24.6 | 118.2 | 127 | -50.3 | 168.2 | 0 | 0 | 0 | 117.1 | |||||
| 207 | K | 52.2 | Low | 53.9 | Low | 194 Ų | 194 | 161.4 Ų | 161.4 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | -159.2 | 132 | 119.3 | -67.4 | -159.7 | -177.5 | 168.4 | 0 | 111.6 | |||||
| 208 | P | 58.8 | Low | 53.2 | Low | 113 Ų | 113 | 155.3 Ų | 155.3 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 124.9 | 163.7 | 31.9 | -26.9 | 0 | 0 | 0 | 110 | ||
| 209 | T | 52.9 | Low | 53.1 | Low | 144 Ų | 144 | 155.3 Ų | 155.3 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 130.9 | 173.7 | -66.2 | 0 | 0 | 0 | 0 | 110.7 | ||
| 210 | I | 51.9 | Low | 53.3 | Low | 150 Ų | 150 | 158.5 Ų | 158.5 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 133.8 | -168 | -68.4 | 159.9 | 0 | 0 | 0 | 112.1 | T212 | I210-T212 PolarHBondContact O-N 3.29Š|
| 211 | R | 52.4 | Low | 53.3 | Low | 235 Ų | 235 | 159.5 Ų | 159.5 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | trans | -66.9 | 113.1 | 166.1 | -172.4 | 176.5 | -178.2 | 153.6 | 0.2 | 109.6 | R213 | R211-R213 PolarHBondContact O-N 2.72Š| ||
| 212 | T | 50.3 | Low | 52.9 | Low | 141 Ų | 141 | 155.7 Ų | 155.7 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | trans | -71.9 | 97.1 | 173.2 | -6.8 | 0 | 0 | 0 | 0 | 109.8 | I210 | I210-T212 PolarHBondContact O-N 3.29Š| ||
| 213 | R | 49 | Very low | 52.4 | Low | 207 Ų | 207 | 153.8 Ų | 153.8 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | trans | -85.3 | 113.3 | 165.8 | -151.2 | -179.7 | -170.1 | -159.9 | 3 | 107.2 | R211 H215 | R211-R213 PolarHBondContact O-N 2.72Å; R213-H215 PolarHBondContact O-N 3.49Å; R213-H215 VanDerWaalsContact O-N 3.11Å | ||
| 214 | R | 51.6 | Low | 52 | Low | 242 Ų | 242 | 151.6 Ų | 151.6 | 91% | 0.913 | 80% | 0.797 | S | S | * | * | trans | -59 | 112.7 | 169.3 | -80.7 | 179.7 | 177.9 | 161.3 | -0.9 | 108.5 | ||||
| 215 | H | 48.4 | Very low | 51 | Low | 162 Ų | 162 | 151.2 Ų | 151.2 | 75% | 0.75 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 130.6 | 164.2 | -84.9 | -94.5 | 0 | 0 | 0 | 109.1 | R213 | R213-H215 PolarHBondContact O-N 3.49Å; R213-H215 VanDerWaalsContact O-N 3.11Å |
| 216 | I | 54.5 | Low | 50.4 | Low | 165 Ų | 165 | 153 Ų | 153 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 120.6 | 170.9 | -60.3 | 165.3 | 0 | 0 | 0 | 106.4 | ||
| 217 | L | 54 | Low | 50.1 | Low | 161 Ų | 161 | 153.5 Ų | 153.5 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 117.1 | 163 | -83.7 | 154.5 | 0 | 0 | 0 | 107 | ||
| 218 | S | 42.9 | Very low | 49.6 | Very low | 91 Ų | 91 | 150.2 Ų | 150.2 | 64% | 0.636 | 80% | 0.8 | S | S | * | * | 80.7 | 96.3 | 94.8 | -176.9 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 219 | S | 54.9 | Low | 48.9 | Very low | 119 Ų | 119 | 152 Ų | 152 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | -155.9 | 142.6 | 135 | 66.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 220 | N | 52.6 | Low | 48.2 | Very low | 146 Ų | 146 | 151.2 Ų | 151.2 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | trans | -81.6 | 138.5 | -162 | -53.9 | -53.6 | 0 | 0 | 0 | 112.7 | ||||
| 221 | L | 55 | Low | 48.2 | Very low | 177 Ų | 177 | 151.9 Ų | 151.9 | 93% | 0.927 | 80% | 0.803 | S | S | * | * | trans | -159 | 147.6 | 144.6 | -106.7 | 126.1 | 0 | 0 | 0 | 111.3 | ||||
| 222 | P | 44.7 | Very low | 47.8 | Very low | 102 Ų | 102 | 149.4 Ų | 149.4 | 66% | 0.662 | 80% | 0.802 | S | S | * | * | trans | -97.8 | 149.3 | -159 | 7.9 | 13.7 | 0 | 0 | 0 | 113.8 | ||||
| 223 | T | 46.1 | Very low | 47.7 | Very low | 120 Ų | 120 | 150 Ų | 150 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | trans | 61.3 | 101.5 | 133.5 | -39.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 224 | T | 48.5 | Very low | 47.6 | Very low | 138 Ų | 138 | 146.5 Ų | 146.5 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | -147.6 | 114.3 | 127.7 | -12.3 | 0 | 0 | 0 | 0 | 109 | |||||
| 225 | C | 43.9 | Very low | 47.3 | Very low | 106 Ų | 106 | 143.6 Ų | 143.6 | 72% | 0.716 | 79% | 0.793 | S | S | * | * | trans | -85.3 | 120.4 | 171.6 | -62.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 226 | D | 43.4 | Very low | 46.8 | Very low | 156 Ų | 156 | 140.8 Ų | 140.8 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | trans | -113.3 | 109.6 | 155.4 | -81.1 | -33.3 | 0 | 0 | 0 | 108.3 | ||||
| 227 | I | 44.9 | Very low | 46.1 | Very low | 155 Ų | 155 | 139.3 Ų | 139.3 | 80% | 0.795 | 78% | 0.784 | S | S | * | * | trans | -75.3 | 123.1 | 169.7 | -65.8 | 161.9 | 0 | 0 | 0 | 106.6 | ||||
| 228 | T | 41.4 | Very low | 45.5 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | trans | -150 | 104.2 | 149 | 21.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 229 | L | 43.1 | Very low | 45.5 | Very low | 150 Ų | 150 | 139.7 Ų | 139.7 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | 45 | 102.5 | 138.2 | -76.5 | 133.4 | 0 | 0 | 0 | 118.7 | ||||
| 230 | T | 38.7 | Very low | 44.7 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -52.9 | 128.2 | 144.2 | 44 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 231 | D | 51.1 | Low | 44 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 88% | 0.882 | 78% | 0.775 | S | S | * | * | trans | -127.9 | 118.8 | 145.4 | -110.3 | -18.3 | 0 | 0 | 0 | 108.5 | ||||
| 232 | Q | 45.1 | Very low | 43.3 | Very low | 183 Ų | 183 | 134.9 Ų | 134.9 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | trans | -75.1 | 122.5 | 170.8 | -66.5 | -178.6 | -13.3 | 0 | 0 | 107.9 | ||||
| 233 | N | 49.1 | Very low | 43.2 | Very low | 152 Ų | 152 | 137.3 Ų | 137.3 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | trans | -152.5 | 137.1 | 140.7 | -147.4 | -5.4 | 0 | 0 | 0 | 112.7 | ||||
| 234 | N | 46.3 | Very low | 43.3 | Very low | 135 Ų | 135 | 136.9 Ų | 136.9 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | trans | -75.7 | 168.4 | -172.4 | -68.6 | -57.2 | 0 | 0 | 0 | 112.6 | ||||
| 235 | Q | 45.8 | Very low | 42.8 | Very low | 181 Ų | 181 | 134.7 Ų | 134.7 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | trans | 99.6 | 103.1 | 155.1 | -55.8 | -174.4 | 28.6 | 0 | 0 | 116.6 | ||||
| 236 | S | 37.3 | Very low | 42.9 | Very low | 102 Ų | 102 | 139.1 Ų | 139.1 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | 56.2 | 102.1 | 118.9 | 169.7 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 237 | L | 40.2 | Very low | 42.9 | Very low | 134 Ų | 134 | 140.7 Ų | 140.7 | 70% | 0.702 | 77% | 0.766 | S | S | * | * | -169.8 | 121.5 | 114.4 | -132 | 74.5 | 0 | 0 | 0 | 110.5 | N239 | L237-N239 PolarHBondContact O-N 2.85Š| |||
| 238 | V | 40.8 | Very low | 42.8 | Very low | 129 Ų | 129 | 141 Ų | 141 | 78% | 0.782 | 76% | 0.764 | S | S | * | * | trans | -69.1 | 104.7 | 162.5 | 174.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 239 | N | 42.2 | Very low | 43 | Very low | 131 Ų | 131 | 144.4 Ų | 144.4 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | -105.8 | 87.4 | 169.4 | -88.5 | -15.2 | 0 | 0 | 0 | 109.9 | L237 V241 | L237-N239 PolarHBondContact O-N 2.85Å; N239-V241 PolarHBondContact O-N 2.91Å | ||
| 240 | T | 37.5 | Very low | 43.1 | Very low | 113 Ų | 113 | 144.9 Ų | 144.9 | 69% | 0.693 | 77% | 0.774 | S | S | * | * | trans | -66.4 | 100.3 | 159.3 | -41.4 | 0 | 0 | 0 | 0 | 107.9 | V242 | T240-V242 HydrophobicContact CG2-CG2 4.36Å; T240-V242 PolarHBondContact O-N 3.24Å; T240-V242 VanDerWaalsContact O-N 3.16Å | ||
| 241 | V | 39.2 | Very low | 43.6 | Very low | 120 Ų | 120 | 146.6 Ų | 146.6 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -82.3 | 92.9 | 170.5 | 178.8 | 0 | 0 | 0 | 0 | 108.2 | N239 I243 | N239-V241 PolarHBondContact O-N 2.91Å; V241-I243 HydrophobicContact CG1-CG1 3.97Å; V241-I243 PolarHBondContact O-N 2.9Å | ||
| 242 | V | 40.9 | Very low | 43.7 | Very low | 108 Ų | 108 | 146.5 Ų | 146.5 | 66% | 0.655 | 78% | 0.775 | S | S | * | * | trans | -68.5 | 102.4 | 160.5 | 175.2 | 0 | 0 | 0 | 0 | 106.9 | T240 T244 | T240-V242 HydrophobicContact CG2-CG2 4.36Å; T240-V242 PolarHBondContact O-N 3.24Å; T240-V242 VanDerWaalsContact O-N 3.16Å; V242-T244 HydrophobicContact CG1-CG2 4.05Å; V242-T244 PolarHBondContact O-N 3.44Å; V242-T244 VanDerWaalsContact O-N 3.11Å | ||
| 243 | I | 41.2 | Very low | 43.9 | Very low | 153 Ų | 153 | 145.3 Ų | 145.3 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -75.4 | 97.4 | 166.6 | -59.7 | 178.5 | 0 | 0 | 0 | 106.4 | V241 S245 | V241-I243 HydrophobicContact CG1-CG1 3.97Å; V241-I243 PolarHBondContact O-N 2.9Å; I243-S245 PolarHBondContact O-N 3.03Å | ||
| 244 | T | 47.7 | Very low | 43.8 | Very low | 111 Ų | 111 | 145.6 Ų | 145.6 | 68% | 0.681 | 78% | 0.776 | S | S | * | * | trans | -65.2 | 123.9 | 171.3 | 47.5 | 0 | 0 | 0 | 0 | 110 | V242 K246 | V242-T244 HydrophobicContact CG1-CG2 4.05Å; V242-T244 PolarHBondContact O-N 3.44Å; V242-T244 VanDerWaalsContact O-N 3.11Å; T244-K246 PolarHBondContact O-N 3.22Å; T244-K246 VanDerWaalsContact O-N 3.13Å | ||
| 245 | S | 39.5 | Very low | 44.2 | Very low | 92 Ų | 92 | 147 Ų | 147 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | trans | -55.1 | 105.7 | 168.2 | 178.7 | 0 | 0 | 0 | 0 | 111.1 | I243 | I243-S245 PolarHBondContact O-N 3.03Š| ||
| 246 | K | 46.5 | Very low | 44.6 | Very low | 199 Ų | 199 | 145.6 Ų | 145.6 | 87% | 0.865 | 78% | 0.782 | S | S | * | * | trans | -157.7 | 41 | 164.6 | -128.6 | 179.6 | -172.1 | -178.5 | 0 | 113 | T244 | T244-K246 PolarHBondContact O-N 3.22Å; T244-K246 VanDerWaalsContact O-N 3.13Å | ||
| 247 | E | 43.2 | Very low | 45.1 | Very low | 190 Ų | 190 | 147.9 Ų | 147.9 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | -159.1 | 45.9 | 166.9 | -150.2 | 154.3 | -173.3 | 0 | 0 | 112.1 | ||||
| 248 | Q | 41 | Very low | 45.7 | Very low | 161 Ų | 161 | 149.7 Ų | 149.7 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | trans | -105.4 | 91.7 | 167.2 | -73.5 | -179.6 | -11 | 0 | 0 | 107.6 | ||||
| 249 | Q | 46 | Very low | 46.1 | Very low | 196 Ų | 196 | 149.5 Ų | 149.5 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 179.3 | 12.3 | 153 | -103.3 | 163.6 | 18.6 | 0 | 0 | 117.2 | ||
| 250 | N | 46.5 | Very low | 46.4 | Very low | 159 Ų | 159 | 149.4 Ų | 149.4 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -130 | 21.8 | -170.3 | -128.8 | 4.8 | 0 | 0 | 0 | 118.7 | ||
| 251 | I | 48.1 | Very low | 47.2 | Very low | 164 Ų | 164 | 150.7 Ų | 150.7 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -135.9 | 45.3 | -177.3 | -41.3 | 179.2 | 0 | 0 | 0 | 112.6 | ||
| 252 | I | 52.7 | Low | 47.8 | Very low | 163 Ų | 163 | 151.4 Ų | 151.4 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -125 | -4.4 | 174.5 | -64.1 | -178.8 | 0 | 0 | 0 | 113.9 | ||
| 253 | N | 49.9 | Very low | 48.1 | Very low | 159 Ų | 159 | 153.7 Ų | 153.7 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -129.4 | 28.1 | -172.8 | -77.8 | -11.7 | 0 | 0 | 0 | 116.7 | ||
| 254 | N | 47.6 | Very low | 48.5 | Very low | 157 Ų | 157 | 153.2 Ų | 153.2 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | trans | -115.7 | 13.1 | -172.4 | -138.6 | 23.1 | 0 | 0 | 0 | 117.6 | ||||
| 255 | D | 53.5 | Low | 48.4 | Very low | 164 Ų | 164 | 156.7 Ų | 156.7 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -100.5 | 11 | -178.7 | -70.4 | -18.7 | 0 | 0 | 0 | 114.6 | ||
| 256 | N | 54.2 | Low | 48.6 | Very low | 153 Ų | 153 | 158.8 Ų | 158.8 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -135.3 | 64.9 | -177.3 | -85.9 | -20.8 | 0 | 0 | 0 | 112.3 | ||
| 257 | N | 49 | Very low | 48.7 | Very low | 150 Ų | 150 | 157.7 Ų | 157.7 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | trans | 165.7 | 96.5 | 151.2 | -97.7 | -30.4 | 0 | 0 | 0 | 110.5 | ||||
| 258 | N | 52.4 | Low | 48.3 | Very low | 171 Ų | 171 | 155.1 Ų | 155.1 | 91% | 0.914 | 81% | 0.813 | S | S | * | * | trans | -155.5 | 99.2 | 135.2 | -114.9 | -11.1 | 0 | 0 | 0 | 111.7 | ||||
| 259 | N | 48.8 | Very low | 48.6 | Very low | 126 Ų | 126 | 154.7 Ų | 154.7 | 67% | 0.674 | 81% | 0.814 | S | S | * | * | trans | -62.8 | 153.4 | 163.9 | -104 | -20 | 0 | 0 | 0 | 111.7 | ||||
| 260 | N | 49.1 | Very low | 48.4 | Very low | 129 Ų | 129 | 151.8 Ų | 151.8 | 69% | 0.69 | 80% | 0.804 | S | S | * | * | trans | 71.4 | 103.7 | 145.5 | -60.5 | -11.8 | 0 | 0 | 0 | 118.5 | ||||
| 261 | N | 53.2 | Low | 48.6 | Very low | 140 Ų | 140 | 151 Ų | 151 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | 171.5 | 131.1 | 101.6 | -93.8 | -16.4 | 0 | 0 | 0 | 114.2 | |||||
| 262 | N | 52 | Low | 48.3 | Very low | 135 Ų | 135 | 152 Ų | 152 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | trans | 90.1 | 98.7 | 142.2 | -54.3 | -14.3 | 0 | 0 | 0 | 120.8 | ||||
| 263 | N | 48.4 | Very low | 47.7 | Very low | 156 Ų | 156 | 148.3 Ų | 148.3 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | 35.5 | 112.8 | 121.2 | -72.5 | -3.2 | 0 | 0 | 0 | 119 | |||||
| 264 | T | 49.1 | Very low | 47 | Very low | 142 Ų | 142 | 146.3 Ų | 146.3 | 87% | 0.871 | 78% | 0.779 | S | S | * | * | -155.8 | 136.7 | 122.9 | 25.1 | 0 | 0 | 0 | 0 | 110 | |||||
| 265 | E | 46.2 | Very low | 47 | Very low | 184 Ų | 184 | 149 Ų | 149 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | -58.5 | 135.8 | -174.6 | -62.1 | 153 | 140.4 | 0 | 0 | 113.5 | ||||
| 266 | T | 42.2 | Very low | 46.6 | Very low | 136 Ų | 136 | 149.2 Ų | 149.2 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | trans | -168.2 | 103.6 | 139.7 | 5.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 267 | H | 49 | Very low | 45.9 | Very low | 177 Ų | 177 | 147.7 Ų | 147.7 | 82% | 0.819 | 78% | 0.776 | S | S | * | * | trans | 30.8 | 110.8 | 148.8 | -71 | -73.1 | 0 | 0 | 0 | 121.4 | ||||
| 268 | D | 35.1 | Very low | 45.8 | Very low | 135 Ų | 135 | 146.5 Ų | 146.5 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | trans | -16.6 | 128.6 | 143.8 | -63.1 | -48.3 | 0 | 0 | 0 | 116.8 | ||||
| 269 | I | 48 | Very low | 45.3 | Very low | 153 Ų | 153 | 145.1 Ų | 145.1 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | -148.4 | 99.3 | 128.1 | -84.4 | 143.1 | 0 | 0 | 0 | 106.7 | I271 | I269-I271 HydrophobicContact CG2-CD1 4.01Å; I269-I271 HydrophobicContact CG2-CG1 3.63Å | |||
| 270 | I | 41.8 | Very low | 45 | Very low | 134 Ų | 134 | 144.1 Ų | 144.1 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | trans | -85.3 | 102.8 | 168 | -66.1 | 171.9 | 0 | 0 | 0 | 107.1 | K272 | I270-K272 HydrophobicContact CG2-CD 4.43Å; I270-K272 HydrophobicContact CG2-CG 3.93Å; I270-K272 PolarHBondContact O-N 3.41Å | ||
| 271 | I | 49.7 | Very low | 45.1 | Very low | 142 Ų | 142 | 144.3 Ų | 144.3 | 73% | 0.728 | 76% | 0.764 | S | S | * | * | trans | -90 | 89.9 | 165.1 | -59.3 | 177 | 0 | 0 | 0 | 107.9 | I269 S273 | I269-I271 HydrophobicContact CG2-CD1 4.01Å; I269-I271 HydrophobicContact CG2-CG1 3.63Å; I271-S273 PolarHBondContact O-N 2.83Å | ||
| 272 | K | 42.1 | Very low | 44.8 | Very low | 185 Ų | 185 | 146.1 Ų | 146.1 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | -71.7 | 99.2 | 157.1 | -81.1 | 172.8 | 176.5 | 176.3 | 0 | 107.9 | I270 | I270-K272 HydrophobicContact CG2-CD 4.43Å; I270-K272 HydrophobicContact CG2-CG 3.93Å; I270-K272 PolarHBondContact O-N 3.41Å | ||
| 273 | S | 40.6 | Very low | 44.3 | Very low | 86 Ų | 86 | 144.7 Ų | 144.7 | 60% | 0.601 | 77% | 0.766 | S | S | * | * | trans | -99.5 | 85 | 165.2 | 72.8 | 0 | 0 | 0 | 0 | 110.3 | I271 Y275 | I271-S273 PolarHBondContact O-N 2.83Å; S273-Y275 PolarHBondContact O-N 3.23Å | ||
| 274 | T | 36.1 | Very low | 43.9 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 72% | 0.724 | 77% | 0.768 | S | S | * | * | trans | -71.2 | 108.8 | 156.9 | -54.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 275 | Y | 47.2 | Very low | 43.9 | Very low | 213 Ų | 213 | 141.6 Ų | 141.6 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | trans | -122.7 | 113.7 | 162.6 | -78.7 | -75.4 | 0 | 0 | 0 | 110 | S273 S277 | S273-Y275 PolarHBondContact O-N 3.23Å; Y275-S277 PolarHBondContact O-N 2.88Å | ||
| 276 | Q | 43.7 | Very low | 43.7 | Very low | 169 Ų | 169 | 144.4 Ų | 144.4 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | -55.6 | 118.4 | 175.6 | -68.9 | 159.9 | -18.6 | 0 | 0 | 110.3 | N278 | Q276-N278 PolarHBondContact O-N 3.38Š| ||
| 277 | S | 39.6 | Very low | 44 | Very low | 120 Ų | 120 | 145.2 Ų | 145.2 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | trans | -80.4 | 95.1 | 160.8 | 155.5 | 0 | 0 | 0 | 0 | 107.6 | Y275 | Y275-S277 PolarHBondContact O-N 2.88Š| ||
| 278 | N | 47 | Very low | 43.8 | Very low | 126 Ų | 126 | 141.2 Ų | 141.2 | 67% | 0.674 | 75% | 0.753 | S | S | * | * | trans | -128.3 | 140.4 | 165.3 | -84.8 | -11.5 | 0 | 0 | 0 | 110.2 | Q276 | Q276-N278 PolarHBondContact O-N 3.38Š| ||
| 279 | D | 43.3 | Very low | 44.3 | Very low | 142 Ų | 142 | 140 Ų | 140 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | trans | 76.4 | 102.1 | 157 | -54.2 | -31.2 | 0 | 0 | 0 | 117.4 | ||||
| 280 | S | 40.9 | Very low | 44.3 | Very low | 105 Ų | 105 | 139 Ų | 139 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | 68.3 | 139.9 | 69.3 | -170.4 | 0 | 0 | 0 | 0 | 112 | |||||
| 281 | I | 52 | Low | 44.5 | Very low | 132 Ų | 132 | 142.3 Ų | 142.3 | 68% | 0.677 | 76% | 0.759 | S | S | * | * | trans | 110.5 | 87.1 | 165.2 | -50.7 | 164 | 0 | 0 | 0 | 115 | ||||
| 282 | K | 46.5 | Very low | 44.3 | Very low | 178 Ų | 178 | 145.6 Ų | 145.6 | 77% | 0.774 | 76% | 0.763 | S | S | * | * | 78.3 | 101.8 | 124.3 | -65.3 | 177.3 | -162 | 173.6 | 0 | 119.5 | |||||
| 283 | S | 41.8 | Very low | 44.5 | Very low | 106 Ų | 106 | 141.7 Ų | 141.7 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | 42.3 | 101.3 | 117.6 | 59.3 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 284 | S | 40.6 | Very low | 44.6 | Very low | 124 Ų | 124 | 146.1 Ų | 146.1 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 120.1 | 165.7 | -168 | 0 | 0 | 0 | 0 | 110.4 | ||
| 285 | P | 49.1 | Very low | 45.1 | Very low | 108 Ų | 108 | 144.8 Ų | 144.8 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 140.4 | 171.8 | 32.9 | -26.8 | 0 | 0 | 0 | 111.7 | L287 | P285-L287 PolarHBondContact O-N 3.33Š|
| 286 | R | 40.9 | Very low | 44.9 | Very low | 243 Ų | 243 | 141.4 Ų | 141.4 | 92% | 0.917 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 123 | 163.8 | -71.3 | 171 | 157.8 | 168.1 | -6.2 | 111.7 | ||
| 287 | L | 48.8 | Very low | 44.9 | Very low | 154 Ų | 154 | 144.6 Ų | 144.6 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | trans | -151.3 | 92.8 | 154.4 | -71 | 177.4 | 0 | 0 | 0 | 107.5 | P285 | P285-L287 PolarHBondContact O-N 3.33Š| ||
| 288 | S | 45.8 | Very low | 45 | Very low | 93 Ų | 93 | 147.4 Ų | 147.4 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | 41.1 | 114.9 | 87.9 | 72 | 0 | 0 | 0 | 0 | 115 | |||||
| 289 | S | 44 | Very low | 45 | Very low | 108 Ų | 108 | 149 Ų | 149 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | 54.5 | 91.3 | 151.9 | 67 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 290 | I | 49.2 | Very low | 44.8 | Very low | 133 Ų | 133 | 146.4 Ų | 146.4 | 68% | 0.682 | 78% | 0.779 | S | S | * | * | trans | -128.2 | 95.6 | 151.1 | -65.6 | -179.6 | 0 | 0 | 0 | 109 | R292 | I290-R292 HydrophobicContact CG2-CG 3.69Å; I290-R292 PolarHBondContact O-N 2.86Å | ||
| 291 | K | 44.7 | Very low | 45 | Very low | 203 Ų | 203 | 148.9 Ų | 148.9 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | -57.5 | 114.5 | 154.7 | -66.1 | 173.2 | 175.6 | 177.6 | 0 | 107.7 | ||||
| 292 | R | 46.3 | Very low | 44.7 | Very low | 212 Ų | 212 | 147 Ų | 147 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | trans | -134.9 | 88.4 | 160.7 | -80.4 | 178.2 | -176.1 | 176.3 | 1.5 | 106.2 | I290 | I290-R292 HydrophobicContact CG2-CG 3.69Å; I290-R292 PolarHBondContact O-N 2.86Å | ||
| 293 | S | 45.6 | Very low | 44.7 | Very low | 103 Ų | 103 | 148.3 Ų | 148.3 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | 70.6 | 87.9 | 94.5 | -75.1 | 0 | 0 | 0 | 0 | 111.5 | S295 | S293-S295 PolarHBondContact O-N 3.33Å; S293-S295 VanDerWaalsContact O-N 3.08Å | |||
| 294 | N | 42.9 | Very low | 44.8 | Very low | 178 Ų | 178 | 148.2 Ų | 148.2 | 95% | 0.952 | 78% | 0.782 | S | S | * | * | trans | -54.7 | 95.9 | 149.6 | -73.7 | -20.9 | 0 | 0 | 0 | 109 | ||||
| 295 | S | 46.7 | Very low | 45.1 | Very low | 91 Ų | 91 | 145.7 Ų | 145.7 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | trans | -157.8 | 152.7 | 159 | 69.3 | 0 | 0 | 0 | 0 | 110 | S293 | S293-S295 PolarHBondContact O-N 3.33Å; S293-S295 VanDerWaalsContact O-N 3.08Å | ||
| 296 | L | 44.1 | Very low | 44.9 | Very low | 141 Ų | 141 | 147.3 Ų | 147.3 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | trans | 80.3 | 60 | 174.7 | -68.9 | 121.1 | 0 | 0 | 0 | 118 | ||||
| 297 | Y | 44.1 | Very low | 45.2 | Very low | 236 Ų | 236 | 142.9 Ų | 142.9 | 93% | 0.925 | 76% | 0.755 | S | S | * | * | trans | -122.4 | 58.3 | 132.3 | -71.2 | -76.3 | 0 | 0 | 0 | 109.9 | L299 | Y297-L299 PolarHBondContact O-N 2.83Š| ||
| 298 | H | 41.7 | Very low | 45.1 | Very low | 180 Ų | 180 | 138.7 Ų | 138.7 | 83% | 0.833 | 74% | 0.738 | S | S | * | * | trans | -82.2 | 66.5 | 154.6 | -81.2 | -74.4 | 0 | 0 | 0 | 108.5 | A300 | H298-A300 VanDerWaalsContact C-N 3.33Å; H298-A300 PolarHBondContact O-N 3.14Å | ||
| 299 | L | 46.9 | Very low | 45.5 | Very low | 160 Ų | 160 | 137 Ų | 137 | 84% | 0.838 | 72% | 0.724 | S | S | * | * | trans | -93.7 | 88.3 | 153.1 | -120.8 | 73.3 | 0 | 0 | 0 | 106 | Y297 N301 | Y297-L299 PolarHBondContact O-N 2.83Å; L299-N301 PolarHBondContact O-N 3.42Å | ||
| 300 | A | 38.7 | Very low | 45.7 | Very low | 87 Ų | 87 | 137.8 Ų | 137.8 | 72% | 0.719 | 72% | 0.716 | S | S | * | * | trans | -41.1 | 113.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | H298 S302 | H298-A300 VanDerWaalsContact C-N 3.33Å; H298-A300 PolarHBondContact O-N 3.14Å; A300-S302 PolarHBondContact O-N 2.98Å | ||
| 301 | N | 44.1 | Very low | 45.9 | Very low | 156 Ų | 156 | 138.3 Ų | 138.3 | 83% | 0.834 | 72% | 0.715 | S | S | * | * | trans | -56.4 | 85.9 | 150.7 | -74.6 | -32.8 | 0 | 0 | 0 | 105.6 | L299 K303 | L299-N301 PolarHBondContact O-N 3.42Å; N301-K303 PolarHBondContact O-N 2.92Å | ||
| 302 | S | 47.1 | Very low | 46.3 | Very low | 93 Ų | 93 | 135.5 Ų | 135.5 | 65% | 0.65 | 71% | 0.709 | S | S | * | * | trans | -53 | 117.7 | 162.8 | 64.3 | 0 | 0 | 0 | 0 | 103.9 | A300 V304 | A300-S302 PolarHBondContact O-N 2.98Å; S302-V304 PolarHBondContact O-N 3.29Å | ||
| 303 | K | 45 | Very low | 46.5 | Very low | 205 Ų | 205 | 132.1 Ų | 132.1 | 89% | 0.891 | 70% | 0.698 | S | S | * | * | trans | -59.5 | 79.3 | 170.6 | -69.6 | 173.8 | 176.8 | 175 | 0 | 105.9 | N301 S305 | N301-K303 PolarHBondContact O-N 2.92Å; K303-S305 PolarHBondContact O-N 2.9Å | ||
| 304 | V | 45.4 | Very low | 46.9 | Very low | 104 Ų | 104 | 131.6 Ų | 131.6 | 63% | 0.63 | 69% | 0.694 | S | S | * | * | trans | -68 | 85.3 | 155.6 | -177.5 | 0 | 0 | 0 | 0 | 102.5 | S302 N306 | S302-V304 PolarHBondContact O-N 3.29Å; V304-N306 PolarHBondContact O-N 2.8Å | ||
| 305 | S | 45.1 | Very low | 47.5 | Very low | 71 Ų | 71 | 132 Ų | 132 | 50% | 0.497 | 69% | 0.687 | S | S | . | * | trans | -40.5 | 88.9 | 155.6 | 160.3 | 0 | 0 | 0 | 0 | 106.4 | K303 K307 | K303-S305 PolarHBondContact O-N 2.9Å; S305-K307 PolarHBondContact O-N 3.44Å; S305-K307 WeakPolarHBondContact OG-CD 3.23Å; S305-K307 WeakPolarHBondContact OG-CE 3.1Å; S305-K307 WeakPolarHBondContact OG-CG 3.25Å | ||
| 306 | N | 46 | Very low | 47.7 | Very low | 142 Ų | 142 | 135 Ų | 135 | 76% | 0.759 | 70% | 0.696 | S | S | * | * | trans | -63.3 | 72.2 | 152.8 | -71.9 | -38 | 0 | 0 | 0 | 104.6 | V304 S308 | V304-N306 PolarHBondContact O-N 2.8Å; N306-S308 PolarHBondContact O-N 3.24Å | ||
| 307 | K | 48 | Very low | 47.9 | Very low | 151 Ų | 151 | 134.9 Ų | 134.9 | 66% | 0.657 | 70% | 0.696 | S | S | * | * | trans | -58.7 | 93.1 | 160.7 | -96.4 | 156.6 | -170.9 | -171.9 | 0 | 102.6 | S305 T309 | S305-K307 PolarHBondContact O-N 3.44Å; S305-K307 WeakPolarHBondContact OG-CD 3.23Å; S305-K307 WeakPolarHBondContact OG-CE 3.1Å; S305-K307 WeakPolarHBondContact OG-CG 3.25Å; K307-T309 PolarHBondContact O-N 2.88Å; K307-T309 VanDerWaalsContact O-N 3.17Å | ||
| 308 | S | 46.7 | Very low | 48.3 | Very low | 65 Ų | 65 | 131.4 Ų | 131.4 | 46% | 0.455 | 69% | 0.693 | S | S | . | * | trans | -40.1 | 124 | 171.9 | 178.3 | 0 | 0 | 0 | 0 | 106.9 | N306 H310 Q311 | N306-S308 PolarHBondContact O-N 3.24Å; S308-H310 PolarHBondContact O-N 3.41Å; S308-Q311 PolarHBondContact O-N 2.87Å | ||
| 309 | T | 52.5 | Low | 48.8 | Very low | 58 Ų | 58 | 128 Ų | 128 | 36% | 0.356 | 69% | 0.689 | S | S | . | * | G | 310 helix | trans | -53.4 | -13 | 176.8 | -37 | 0 | 0 | 0 | 0 | 111.8 | K307 Q311 | K307-T309 PolarHBondContact O-N 2.88Å; K307-T309 VanDerWaalsContact O-N 3.17Å; T309-Q311 VanDerWaalsContact C-N 3.35Å; T309-Q311 PolarHBondContact O-N 3.44Å |
| 310 | H | 49.9 | Very low | 49.4 | Very low | 124 Ų | 124 | 125.9 Ų | 125.9 | 57% | 0.574 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -67.6 | -23.1 | 168.9 | -76.1 | -78.9 | 0 | 0 | 0 | 115.3 | S308 | S308-H310 PolarHBondContact O-N 3.41Š|
| 311 | Q | 51.7 | Low | 50.5 | Low | 145 Ų | 145 | 126.3 Ų | 126.3 | 68% | 0.678 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -86.5 | -15 | -176.1 | -123.5 | 179.4 | 18.3 | 0 | 0 | 114 | S308 T309 | S308-Q311 PolarHBondContact O-N 2.87Å; T309-Q311 VanDerWaalsContact C-N 3.35Å; T309-Q311 PolarHBondContact O-N 3.44Å |
| 312 | L | 53.7 | Low | 52 | Low | 144 Ų | 144 | 123.6 Ų | 123.6 | 75% | 0.754 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -81 | -19.7 | 175.8 | -87.7 | 156.2 | 0 | 0 | 0 | 113.1 | ||
| 313 | Y | 52 | Low | 53.7 | Low | 141 Ų | 141 | 122.4 Ų | 122.4 | 55% | 0.553 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -99.5 | -3.8 | 177.4 | -70.9 | -78.9 | 0 | 0 | 0 | 114.2 | V325 L329 | Y313-V325 HydrophobicContact CE1-CG1 4.34Å; Y313-L329 HydrophobicContact CD2-CD1 4.35Å; Y313-L329 HydrophobicContact CD2-CD2 4.46Å |
| 314 | S | 52.8 | Low | 55.6 | Low | 91 Ų | 91 | 116.3 Ų | 116.3 | 64% | 0.636 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -94.4 | 5.1 | -173.5 | -165.9 | 0 | 0 | 0 | 0 | 114.5 | ||
| 315 | K | 54.7 | Low | 57.5 | Low | 186 Ų | 186 | 113.4 Ų | 113.4 | 81% | 0.809 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -120.5 | -1.6 | -171.9 | -131.8 | 176.7 | -179.5 | -178.9 | 0 | 116.5 | ||
| 316 | N | 51.6 | Low | 59.5 | Low | 154 Ų | 154 | 114.5 Ų | 114.5 | 82% | 0.824 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -122.7 | 91.8 | 171.5 | -73.2 | -14.2 | 0 | 0 | 0 | 108.8 | ||
| 317 | N | 49 | Very low | 61.5 | Low | 140 Ų | 140 | 116.2 Ų | 116.2 | 75% | 0.749 | 61% | 0.613 | S | S | * | * | trans | -65.8 | 148.5 | 173.7 | -70.5 | -41.5 | 0 | 0 | 0 | 110.4 | ||||
| 318 | D | 52.4 | Low | 63.5 | Low | 162 Ų | 162 | 113 Ų | 113 | 87% | 0.866 | 60% | 0.603 | S | S | * | * | S | Bend | trans | 96.4 | 12 | 164.4 | -47.9 | -25.8 | 0 | 0 | 0 | 119.4 | ||
| 319 | C | 51.8 | Low | 65.5 | Low | 110 Ų | 110 | 111.2 Ų | 111.2 | 74% | 0.743 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -105.2 | 120 | 160.9 | -167 | 0 | 0 | 0 | 0 | 109.9 | L321 | C319-L321 PolarHBondContact O-N 3.44Š|
| 320 | P | 59.3 | Low | 67.4 | Low | 114 Ų | 114 | 111.2 Ų | 111.2 | 74% | 0.74 | 59% | 0.594 | S | S | * | * | trans | -57.6 | 114.7 | 176.2 | 22.9 | -30.9 | 0 | 0 | 0 | 107.9 | N322 | P320-N322 VanDerWaalsContact C-N 3.34Å; P320-N322 PolarHBondContact O-N 3.48Å | ||
| 321 | L | 62 | Low | 69.4 | Low | 97 Ų | 97 | 111.6 Ų | 111.6 | 51% | 0.508 | 59% | 0.592 | S | S | . | * | trans | -48.1 | 102.7 | 172.8 | -91.9 | 150 | 0 | 0 | 0 | 107.9 | C319 A323 V325 L326 L329 | C319-L321 PolarHBondContact O-N 3.44Å; L321-A323 PolarHBondContact O-N 3.23Å; L321-V325 HydrophobicContact CD2-CB 4.23Å; L321-V325 HydrophobicContact CD2-CG1 3.72Å; L321-L326 HydrophobicContact CB-CD1 4.4Å; L321-L326 HydrophobicContact CB-CD2 4.4Å; L321-L326 HydrophobicContact CB-CG 4.14Å; L321-L326 HydrophobicContact CD1-CD2 4.35Å; L321-L326 HydrophobicContact CD2-CD2 4.27Å; L321-L326 HydrophobicContact CD2-CG 4.49Å; L321-L329 HydrophobicContact CD2-CD1 4.49Å | ||
| 322 | N | 75.8 | Confident | 71.4 | Confident | 99 Ų | 99 | 108.9 Ų | 108.9 | 53% | 0.529 | 58% | 0.579 | S | S | . | * | trans | -55.9 | 135.4 | 177.6 | -178 | -22.1 | 0 | 0 | 0 | 107.2 | P320 V324 V325 L326 | P320-N322 VanDerWaalsContact C-N 3.34Å; P320-N322 PolarHBondContact O-N 3.48Å; N322-V324 CarbonylContact O-C 3.59Å; N322-V324 PolarHBondContact O-N 2.91Å; N322-V324 WeakPolarHBondContact OD1-CG2 3.44Å; N322-V324 PolarHBondContact OD1-N 3.43Å; N322-V325 HydrophobicContact CB-CG2 4.25Å; N322-V325 WeakPolarHBondContact O-CA 3.5Å; N322-V325 WeakPolarHBondContact O-CB 3.42Å; N322-V325 PolarHBondContact O-N 2.95Å; N322-L326 PolarHBondContact O-N 3.33Å | ||
| 323 | A | 82.4 | Confident | 73.2 | Confident | 67 Ų | 67 | 104.8 Ų | 104.8 | 55% | 0.554 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -50.7 | -28.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L321 R327 | L321-A323 PolarHBondContact O-N 3.23Å; A323-R327 WeakPolarHBondContact O-CB 3.28Å; A323-R327 PolarHBondContact O-N 3.42Å |
| 324 | V | 85.3 | Confident | 75.3 | Confident | 77 Ų | 77 | 104.9 Ų | 104.9 | 47% | 0.467 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61 | -46.4 | 171.8 | -179.3 | 0 | 0 | 0 | 0 | 112 | N322 R327 D328 | N322-V324 CarbonylContact O-C 3.59Å; N322-V324 PolarHBondContact O-N 2.91Å; N322-V324 WeakPolarHBondContact OD1-CG2 3.44Å; N322-V324 PolarHBondContact OD1-N 3.43Å; V324-R327 WeakPolarHBondContact O-CB 3.34Å; V324-R327 PolarHBondContact O-N 3.41Å; V324-D328 PolarHBondContact O-N 2.87Å |
| 325 | V | 85.2 | Confident | 77.2 | Confident | 43 Ų | 43 | 107.9 Ų | 107.9 | 26% | 0.261 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67 | -40 | -179.5 | -179.8 | 0 | 0 | 0 | 0 | 111.4 | Y313 L321 N322 R327 D328 L329 | Y313-V325 HydrophobicContact CE1-CG1 4.34Å; L321-V325 HydrophobicContact CD2-CB 4.23Å; L321-V325 HydrophobicContact CD2-CG1 3.72Å; N322-V325 HydrophobicContact CB-CG2 4.25Å; N322-V325 WeakPolarHBondContact O-CA 3.5Å; N322-V325 WeakPolarHBondContact O-CB 3.42Å; N322-V325 PolarHBondContact O-N 2.95Å; V325-R327 VanDerWaalsContact C-N 3.33Å; V325-D328 PolarHBondContact O-N 2.91Å; V325-L329 HydrophobicContact CG1-CD1 3.97Å; V325-L329 WeakPolarHBondContact O-CB 3.43Å; V325-L329 PolarHBondContact O-N 3.29Å |
| 326 | L | 87.2 | Confident | 79.1 | Confident | 95 Ų | 95 | 102.7 Ų | 102.7 | 50% | 0.497 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.4 | -40.7 | 174.3 | -74 | 173.7 | 0 | 0 | 0 | 111.8 | L321 N322 L329 A330 | L321-L326 HydrophobicContact CB-CD1 4.4Å; L321-L326 HydrophobicContact CB-CD2 4.4Å; L321-L326 HydrophobicContact CB-CG 4.14Å; L321-L326 HydrophobicContact CD1-CD2 4.35Å; L321-L326 HydrophobicContact CD2-CD2 4.27Å; L321-L326 HydrophobicContact CD2-CG 4.49Å; N322-L326 PolarHBondContact O-N 3.33Å; L326-L329 PolarHBondContact O-N 2.86Å; L326-A330 WeakPolarHBondContact O-CB 3.46Å; L326-A330 PolarHBondContact O-N 3.37Å |
| 327 | R | 88.1 | Confident | 81.1 | Confident | 178 Ų | 178 | 104.8 Ų | 104.8 | 67% | 0.672 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.2 | -42.9 | 175.7 | -169.5 | -177.3 | -64.1 | 163.1 | -0.1 | 111.3 | A323 V324 V325 A330 Y331 | A323-R327 WeakPolarHBondContact O-CB 3.28Å; A323-R327 PolarHBondContact O-N 3.42Å; V324-R327 WeakPolarHBondContact O-CB 3.34Å; V324-R327 PolarHBondContact O-N 3.41Å; V325-R327 VanDerWaalsContact C-N 3.33Å; R327-A330 PolarHBondContact O-N 3.41Å; R327-Y331 VanDerWaalsContact O-CB 3.3Å; R327-Y331 WeakPolarHBondContact O-CB 3.38Å; R327-Y331 PolarHBondContact O-N 2.84Å |
| 328 | D | 90 | Very high | 83.3 | Confident | 84 Ų | 84 | 102.3 Ų | 102.3 | 45% | 0.449 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.1 | -41.1 | 177.8 | -75.3 | -12.3 | 0 | 0 | 0 | 112.3 | V324 V325 Y331 Q332 | V324-D328 PolarHBondContact O-N 2.87Å; V325-D328 PolarHBondContact O-N 2.91Å; D328-Y331 PolarHBondContact O-N 2.96Å; D328-Q332 WeakPolarHBondContact O-CB 3.31Å; D328-Q332 VanDerWaalsContact O-CG 3.29Å; D328-Q332 WeakPolarHBondContact O-CG 3.45Å; D328-Q332 PolarHBondContact O-N 3.49Å |
| 329 | L | 88.9 | Confident | 85.3 | Confident | 27 Ų | 27 | 98.8 Ų | 98.8 | 14% | 0.141 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 173.9 | -89.5 | 151.9 | 0 | 0 | 0 | 111.7 | Y313 L321 V325 L326 Q332 S333 | Y313-L329 HydrophobicContact CD2-CD1 4.35Å; Y313-L329 HydrophobicContact CD2-CD2 4.46Å; L321-L329 HydrophobicContact CD2-CD1 4.49Å; V325-L329 HydrophobicContact CG1-CD1 3.97Å; V325-L329 WeakPolarHBondContact O-CB 3.43Å; V325-L329 PolarHBondContact O-N 3.29Å; L326-L329 PolarHBondContact O-N 2.86Å; L329-Q332 PolarHBondContact O-N 2.91Å; L329-S333 WeakPolarHBondContact O-CB 3.23Å; L329-S333 PolarHBondContact O-N 2.89Å; L329-S333 PolarHBondContact O-OG 2.92Å |
| 330 | A | 91.5 | Very high | 87.4 | Confident | 57 Ų | 57 | 100 Ų | 100 | 47% | 0.471 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.3 | -46.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | L326 R327 S333 W334 | L326-A330 WeakPolarHBondContact O-CB 3.46Å; L326-A330 PolarHBondContact O-N 3.37Å; R327-A330 PolarHBondContact O-N 3.41Å; A330-S333 PolarHBondContact O-N 3.44Å; A330-S333 PolarHBondContact O-OG 2.88Å; A330-W334 WeakPolarHBondContact O-CB 3.37Å; A330-W334 PolarHBondContact O-N 2.85Å |
| 331 | Y | 93.4 | Very high | 89.1 | Confident | 133 Ų | 133 | 97.8 Ų | 97.8 | 52% | 0.522 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.7 | -45.4 | 177.3 | -179.2 | -103.6 | 0 | 0 | 0 | 112.5 | R327 D328 S333 W334 R335 | R327-Y331 VanDerWaalsContact O-CB 3.3Å; R327-Y331 WeakPolarHBondContact O-CB 3.38Å; R327-Y331 PolarHBondContact O-N 2.84Å; D328-Y331 PolarHBondContact O-N 2.96Å; Y331-S333 VanDerWaalsContact C-N 3.34Å; Y331-S333 PolarHBondContact O-N 3.1Å; Y331-W334 AromaticContact CD2-CE3 3.94Å; Y331-W334 HydrophobicContact CD2-CE3 3.94Å; Y331-W334 HydrophobicContact CD2-CZ3 4.17Å; Y331-W334 AromaticContact CE2-CE3 3.9Å; Y331-W334 HydrophobicContact CE2-CE3 3.9Å; Y331-W334 AromaticContact CE2-CZ3 3.7Å; Y331-W334 HydrophobicContact CE2-CZ3 3.7Å; Y331-W334 PolarHBondContact O-N 3.13Å; Y331-R335 WeakPolarHBondContact O-CB 3.34Å; Y331-R335 PolarHBondContact O-N 3.4Å |
| 332 | Q | 93.1 | Very high | 90.6 | Very high | 87 Ų | 87 | 95.9 Ų | 95.9 | 41% | 0.407 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 175.3 | -77.6 | 179.5 | 21.3 | 0 | 0 | 111.7 | D328 L329 R335 N336 | D328-Q332 WeakPolarHBondContact O-CB 3.31Å; D328-Q332 VanDerWaalsContact O-CG 3.29Å; D328-Q332 WeakPolarHBondContact O-CG 3.45Å; D328-Q332 PolarHBondContact O-N 3.49Å; L329-Q332 PolarHBondContact O-N 2.91Å; Q332-R335 PolarHBondContact O-N 3.19Å; Q332-N336 VanDerWaalsContact O-CB 3.23Å; Q332-N336 WeakPolarHBondContact O-CB 3.46Å; Q332-N336 PolarHBondContact O-N 2.89Å; Q332-N336 PolarHBondContact O-ND2 3.05Å; Q332-N336 VanDerWaalsContact O-ND2 3.17Å |
| 333 | S | 91.4 | Very high | 91.5 | Very high | 59 Ų | 59 | 100.1 Ų | 100.1 | 41% | 0.413 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 177.6 | 79.5 | 0 | 0 | 0 | 0 | 111.7 | L329 A330 Y331 N336 R337 | L329-S333 WeakPolarHBondContact O-CB 3.23Å; L329-S333 PolarHBondContact O-N 2.89Å; L329-S333 PolarHBondContact O-OG 2.92Å; A330-S333 PolarHBondContact O-N 3.44Å; A330-S333 PolarHBondContact O-OG 2.88Å; Y331-S333 VanDerWaalsContact C-N 3.34Å; Y331-S333 PolarHBondContact O-N 3.1Å; S333-N336 PolarHBondContact O-N 3.41Å; S333-R337 WeakPolarHBondContact O-CB 3.37Å; S333-R337 PolarHBondContact O-N 2.9Å |
| 334 | W | 95.8 | Very high | 92.1 | Very high | 143 Ų | 143 | 102.6 Ų | 102.6 | 54% | 0.542 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.6 | -48.1 | 176.6 | 173.9 | 72.6 | 0 | 0 | 0 | 111.6 | A330 Y331 N336 R337 L338 | A330-W334 WeakPolarHBondContact O-CB 3.37Å; A330-W334 PolarHBondContact O-N 2.85Å; Y331-W334 AromaticContact CD2-CE3 3.94Å; Y331-W334 HydrophobicContact CD2-CE3 3.94Å; Y331-W334 HydrophobicContact CD2-CZ3 4.17Å; Y331-W334 AromaticContact CE2-CE3 3.9Å; Y331-W334 HydrophobicContact CE2-CE3 3.9Å; Y331-W334 AromaticContact CE2-CZ3 3.7Å; Y331-W334 HydrophobicContact CE2-CZ3 3.7Å; Y331-W334 PolarHBondContact O-N 3.13Å; W334-N336 VanDerWaalsContact C-N 3.31Å; W334-N336 PolarHBondContact O-N 2.86Å; W334-R337 WeakPolarHBondContact O-CB 3.37Å; W334-R337 PolarHBondContact O-N 2.94Å; W334-R337 VanDerWaalsContact O-N 3.1Å; W334-L338 HydrophobicContact CD2-CD1 3.92Å; W334-L338 VanDerWaalsContact CE2-CD1 3.47Å; W334-L338 HydrophobicContact CE3-CD1 4.22Å; W334-L338 HydrophobicContact CH2-CD1 3.77Å; W334-L338 HydrophobicContact CZ2-CD1 3.43Å; W334-L338 VanDerWaalsContact CZ2-CD1 3.43Å; W334-L338 HydrophobicContact CZ2-CG 4.49Å; W334-L338 HydrophobicContact CZ3-CD1 4.14Å; W334-L338 PolarHBondContact O-N 3.35Å |
| 335 | R | 93.4 | Very high | 92.5 | Very high | 153 Ų | 153 | 104.4 Ų | 104.4 | 58% | 0.577 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -57 | -45.2 | 174.5 | -174.5 | -176.1 | -179.7 | -155.9 | 1.2 | 111.3 | Y331 Q332 R337 L338 V339 | Y331-R335 WeakPolarHBondContact O-CB 3.34Å; Y331-R335 PolarHBondContact O-N 3.4Å; Q332-R335 PolarHBondContact O-N 3.19Å; R335-R337 VanDerWaalsContact C-N 3.34Å; R335-R337 PolarHBondContact O-N 3.43Å; R335-L338 PolarHBondContact O-N 2.87Å; R335-V339 WeakPolarHBondContact O-CG2 3.44Å; R335-V339 PolarHBondContact O-N 3.32Å |
| 336 | N | 94 | Very high | 93 | Very high | 78 Ų | 78 | 111.3 Ų | 111.3 | 42% | 0.417 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.7 | -37.5 | 177 | -75.5 | -26.3 | 0 | 0 | 0 | 112.1 | Q332 S333 W334 K340 | Q332-N336 VanDerWaalsContact O-CB 3.23Å; Q332-N336 WeakPolarHBondContact O-CB 3.46Å; Q332-N336 PolarHBondContact O-N 2.89Å; Q332-N336 PolarHBondContact O-ND2 3.05Å; Q332-N336 VanDerWaalsContact O-ND2 3.17Å; S333-N336 PolarHBondContact O-N 3.41Å; W334-N336 VanDerWaalsContact C-N 3.31Å; W334-N336 PolarHBondContact O-N 2.86Å; N336-K340 VanDerWaalsContact O-CB 3.31Å; N336-K340 WeakPolarHBondContact O-CB 3.5Å; N336-K340 VanDerWaalsContact O-CG 3.26Å; N336-K340 WeakPolarHBondContact O-CG 3.2Å; N336-K340 PolarHBondContact O-N 3.5Å |
| 337 | R | 94 | Very high | 93.4 | Very high | 198 Ų | 198 | 111.3 Ų | 111.3 | 75% | 0.747 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.5 | -43.7 | 174.7 | -173.9 | 177.2 | 177.2 | 174.7 | -1.4 | 111.3 | S333 W334 R335 K340 S341 | S333-R337 WeakPolarHBondContact O-CB 3.37Å; S333-R337 PolarHBondContact O-N 2.9Å; W334-R337 WeakPolarHBondContact O-CB 3.37Å; W334-R337 PolarHBondContact O-N 2.94Å; W334-R337 VanDerWaalsContact O-N 3.1Å; R335-R337 VanDerWaalsContact C-N 3.34Å; R335-R337 PolarHBondContact O-N 3.43Å; R337-K340 PolarHBondContact O-N 3.41Å; R337-S341 VanDerWaalsContact O-CB 3.31Å; R337-S341 WeakPolarHBondContact O-CB 3.39Å; R337-S341 PolarHBondContact O-N 2.87Å |
| 338 | L | 94.6 | Very high | 93.7 | Very high | 87 Ų | 87 | 105.4 Ų | 105.4 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62 | -48.3 | 175.4 | -73.5 | 177.4 | 0 | 0 | 0 | 112.1 | W334 R335 K340 S341 A342 | W334-L338 HydrophobicContact CD2-CD1 3.92Å; W334-L338 VanDerWaalsContact CE2-CD1 3.47Å; W334-L338 HydrophobicContact CE3-CD1 4.22Å; W334-L338 HydrophobicContact CH2-CD1 3.77Å; W334-L338 HydrophobicContact CZ2-CD1 3.43Å; W334-L338 VanDerWaalsContact CZ2-CD1 3.43Å; W334-L338 HydrophobicContact CZ2-CG 4.49Å; W334-L338 HydrophobicContact CZ3-CD1 4.14Å; W334-L338 PolarHBondContact O-N 3.35Å; R335-L338 PolarHBondContact O-N 2.87Å; L338-K340 VanDerWaalsContact C-N 3.35Å; L338-K340 PolarHBondContact O-N 2.91Å; L338-S341 PolarHBondContact O-N 3.43Å; L338-A342 WeakPolarHBondContact O-CB 3.39Å; L338-A342 PolarHBondContact O-N 3.35Å |
| 339 | V | 95.1 | Very high | 93.9 | Very high | 89 Ų | 89 | 105.6 Ų | 105.6 | 54% | 0.539 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62 | -42.1 | 178 | 172 | 0 | 0 | 0 | 0 | 111.4 | R335 R343 | R335-V339 WeakPolarHBondContact O-CG2 3.44Å; R335-V339 PolarHBondContact O-N 3.32Å; V339-R343 WeakPolarHBondContact O-CB 3.34Å; V339-R343 PolarHBondContact O-N 3.33Å |
| 340 | K | 94.9 | Very high | 94.2 | Very high | 134 Ų | 134 | 108 Ų | 108 | 58% | 0.583 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.8 | -42.7 | 175.2 | -76.2 | 178 | -179.6 | -178.4 | 0 | 111.8 | N336 R337 L338 R343 I344 | N336-K340 VanDerWaalsContact O-CB 3.31Å; N336-K340 WeakPolarHBondContact O-CB 3.5Å; N336-K340 VanDerWaalsContact O-CG 3.26Å; N336-K340 WeakPolarHBondContact O-CG 3.2Å; N336-K340 PolarHBondContact O-N 3.5Å; R337-K340 PolarHBondContact O-N 3.41Å; L338-K340 VanDerWaalsContact C-N 3.35Å; L338-K340 PolarHBondContact O-N 2.91Å; K340-R343 PolarHBondContact O-N 3.2Å; K340-I344 VanDerWaalsContact O-CG1 3.26Å; K340-I344 WeakPolarHBondContact O-CG1 3.36Å; K340-I344 PolarHBondContact O-N 3.37Å |
| 341 | S | 94.4 | Very high | 94.4 | Very high | 68 Ų | 68 | 113.6 Ų | 113.6 | 48% | 0.476 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.3 | -50.9 | 176.9 | -166.6 | 0 | 0 | 0 | 0 | 111 | R337 L338 R343 I344 E345 | R337-S341 VanDerWaalsContact O-CB 3.31Å; R337-S341 WeakPolarHBondContact O-CB 3.39Å; R337-S341 PolarHBondContact O-N 2.87Å; L338-S341 PolarHBondContact O-N 3.43Å; S341-R343 VanDerWaalsContact C-N 3.27Å; S341-R343 PolarHBondContact O-N 3.1Å; S341-I344 PolarHBondContact O-N 2.87Å; S341-I344 VanDerWaalsContact O-N 3.15Å; S341-E345 WeakPolarHBondContact O-CB 3.37Å; S341-E345 PolarHBondContact O-N 2.93Å |
| 342 | A | 94.7 | Very high | 94.5 | Very high | 57 Ų | 57 | 111.1 Ų | 111.1 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.1 | -36.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L338 R346 | L338-A342 WeakPolarHBondContact O-CB 3.39Å; L338-A342 PolarHBondContact O-N 3.35Å; A342-R346 WeakPolarHBondContact O-CB 3.49Å; A342-R346 PolarHBondContact O-N 2.88Å |
| 343 | R | 95.3 | Very high | 94.6 | Very high | 189 Ų | 189 | 112.5 Ų | 112.5 | 71% | 0.713 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.6 | -43.7 | 174.9 | -175.2 | 176.7 | -178.4 | 168.4 | 1.5 | 112.3 | V339 K340 S341 M347 | V339-R343 WeakPolarHBondContact O-CB 3.34Å; V339-R343 PolarHBondContact O-N 3.33Å; K340-R343 PolarHBondContact O-N 3.2Å; S341-R343 VanDerWaalsContact C-N 3.27Å; S341-R343 PolarHBondContact O-N 3.1Å; R343-M347 WeakPolarHBondContact O-CB 3.38Å; R343-M347 VanDerWaalsContact O-CG 3.31Å; R343-M347 WeakPolarHBondContact O-CG 3.13Å; R343-M347 PolarHBondContact O-N 2.84Å |
| 344 | I | 94.3 | Very high | 94.8 | Very high | 118 Ų | 118 | 114.7 Ų | 114.7 | 61% | 0.605 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.9 | -45.8 | 178.2 | -70.2 | 165.3 | 0 | 0 | 0 | 109.9 | K340 S341 R346 M347 S348 | K340-I344 VanDerWaalsContact O-CG1 3.26Å; K340-I344 WeakPolarHBondContact O-CG1 3.36Å; K340-I344 PolarHBondContact O-N 3.37Å; S341-I344 PolarHBondContact O-N 2.87Å; S341-I344 VanDerWaalsContact O-N 3.15Å; I344-R346 PolarHBondContact O-N 3.21Å; I344-M347 PolarHBondContact O-N 3.48Å; I344-S348 WeakPolarHBondContact O-CB 3.35Å; I344-S348 PolarHBondContact O-N 3.36Å |
| 345 | E | 94.2 | Very high | 94.7 | Very high | 115 Ų | 115 | 111.8 Ų | 111.8 | 54% | 0.537 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -58.4 | -47.8 | 176.7 | -174.6 | 178.9 | -178.9 | 0 | 0 | 111.3 | S341 M347 S348 N349 | S341-E345 WeakPolarHBondContact O-CB 3.37Å; S341-E345 PolarHBondContact O-N 2.93Å; E345-M347 VanDerWaalsContact C-N 3.34Å; E345-M347 PolarHBondContact O-N 3.31Å; E345-S348 WeakPolarHBondContact O-CB 3.46Å; E345-S348 PolarHBondContact O-N 2.94Å; E345-S348 VanDerWaalsContact O-N 3.16Å; E345-N349 WeakPolarHBondContact O-CB 3.27Å; E345-N349 VanDerWaalsContact O-CG 3.26Å; E345-N349 PolarHBondContact O-N 3.31Å; E345-N349 PolarHBondContact O-OD1 2.98Å |
| 346 | R | 95.1 | Very high | 94.8 | Very high | 188 Ų | 188 | 110.6 Ų | 110.6 | 71% | 0.709 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.7 | -42.6 | 175.5 | -167.4 | 178.5 | -164.1 | 162.2 | 5.2 | 112.7 | A342 I344 N349 L350 | A342-R346 WeakPolarHBondContact O-CB 3.49Å; A342-R346 PolarHBondContact O-N 2.88Å; I344-R346 PolarHBondContact O-N 3.21Å; R346-N349 PolarHBondContact O-N 2.86Å; R346-L350 HydrophobicContact CG-CD1 4.47Å; R346-L350 WeakPolarHBondContact O-CG 3.39Å; R346-L350 PolarHBondContact O-N 3.46Å |
| 347 | M | 94.4 | Very high | 94.9 | Very high | 95 Ų | 95 | 110 Ų | 110 | 47% | 0.468 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.5 | -35.9 | 176.8 | -73.8 | -61.2 | -54.4 | 0 | 0 | 112.4 | R343 I344 E345 R351 | R343-M347 WeakPolarHBondContact O-CB 3.38Å; R343-M347 VanDerWaalsContact O-CG 3.31Å; R343-M347 WeakPolarHBondContact O-CG 3.13Å; R343-M347 PolarHBondContact O-N 2.84Å; I344-M347 PolarHBondContact O-N 3.48Å; E345-M347 VanDerWaalsContact C-N 3.34Å; E345-M347 PolarHBondContact O-N 3.31Å; M347-R351 WeakPolarHBondContact O-CG 3.2Å; M347-R351 PolarHBondContact O-N 3.07Å; M347-R351 VanDerWaalsContact O-N 3.1Å |
| 348 | S | 94.7 | Very high | 95 | Very high | 55 Ų | 55 | 107.5 Ų | 107.5 | 39% | 0.385 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.6 | -45.3 | 175.1 | -168.9 | 0 | 0 | 0 | 0 | 111.1 | I344 E345 L350 R351 N352 | I344-S348 WeakPolarHBondContact O-CB 3.35Å; I344-S348 PolarHBondContact O-N 3.36Å; E345-S348 WeakPolarHBondContact O-CB 3.46Å; E345-S348 PolarHBondContact O-N 2.94Å; E345-S348 VanDerWaalsContact O-N 3.16Å; S348-L350 PolarHBondContact O-N 3.36Å; S348-R351 PolarHBondContact O-N 3.01Å; S348-N352 PolarHBondContact O-N 3.21Å |
| 349 | N | 95.2 | Very high | 95.1 | Very high | 87 Ų | 87 | 109.4 Ų | 109.4 | 47% | 0.465 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 177.9 | -68.1 | -8.7 | 0 | 0 | 0 | 111.3 | E345 R346 R351 N352 E353 | E345-N349 WeakPolarHBondContact O-CB 3.27Å; E345-N349 VanDerWaalsContact O-CG 3.26Å; E345-N349 PolarHBondContact O-N 3.31Å; E345-N349 PolarHBondContact O-OD1 2.98Å; R346-N349 PolarHBondContact O-N 2.86Å; N349-R351 VanDerWaalsContact C-N 3.33Å; N349-R351 PolarHBondContact O-N 3.44Å; N349-N352 PolarHBondContact O-N 2.89Å; N349-E353 WeakPolarHBondContact O-CB 3.45Å; N349-E353 PolarHBondContact O-N 3.32Å |
| 350 | L | 95.2 | Very high | 95.1 | Very high | 79 Ų | 79 | 111.8 Ų | 111.8 | 41% | 0.414 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.5 | -38.5 | 174.5 | -76.2 | 169.1 | 0 | 0 | 0 | 112.8 | R346 S348 I354 | R346-L350 HydrophobicContact CG-CD1 4.47Å; R346-L350 WeakPolarHBondContact O-CG 3.39Å; R346-L350 PolarHBondContact O-N 3.46Å; S348-L350 PolarHBondContact O-N 3.36Å; L350-I354 WeakPolarHBondContact O-CB 3.34Å; L350-I354 WeakPolarHBondContact O-CD1 3.38Å; L350-I354 WeakPolarHBondContact O-CG1 3.48Å; L350-I354 PolarHBondContact O-N 3.49Å |
| 351 | R | 95.5 | Very high | 95.1 | Very high | 173 Ų | 173 | 112.1 Ų | 112.1 | 65% | 0.653 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.8 | -45.2 | 175.4 | -77.2 | 178 | -179.8 | -158.2 | -0.3 | 111.6 | M347 S348 N349 E353 I354 D355 | M347-R351 WeakPolarHBondContact O-CG 3.2Å; M347-R351 PolarHBondContact O-N 3.07Å; M347-R351 VanDerWaalsContact O-N 3.1Å; S348-R351 PolarHBondContact O-N 3.01Å; N349-R351 VanDerWaalsContact C-N 3.33Å; N349-R351 PolarHBondContact O-N 3.44Å; R351-E353 PolarHBondContact O-N 3.08Å; R351-I354 PolarHBondContact O-N 2.8Å; R351-D355 PolarHBondContact O-N 2.9Å |
| 352 | N | 95.1 | Very high | 95.2 | Very high | 81 Ų | 81 | 113 Ų | 113 | 43% | 0.433 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 177.3 | -69 | -12.9 | 0 | 0 | 0 | 111.3 | S348 N349 I354 D355 E356 | S348-N352 PolarHBondContact O-N 3.21Å; N349-N352 PolarHBondContact O-N 2.89Å; N352-I354 PolarHBondContact O-N 3.22Å; N352-D355 PolarHBondContact O-N 3.48Å; N352-E356 WeakPolarHBondContact O-CB 3.24Å; N352-E356 WeakPolarHBondContact O-CG 3.25Å; N352-E356 PolarHBondContact O-N 3.31Å |
| 353 | E | 94.8 | Very high | 95.3 | Very high | 116 Ų | 116 | 116.6 Ų | 116.6 | 54% | 0.542 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 176.8 | -171.1 | 179.2 | -179.8 | 0 | 0 | 112.2 | N349 R351 E356 T357 | N349-E353 WeakPolarHBondContact O-CB 3.45Å; N349-E353 PolarHBondContact O-N 3.32Å; R351-E353 PolarHBondContact O-N 3.08Å; E353-E356 PolarHBondContact O-N 3.47Å; E353-T357 WeakPolarHBondContact O-CB 3.37Å; E353-T357 WeakPolarHBondContact O-CG2 3.45Å; E353-T357 PolarHBondContact O-N 2.86Å; E353-T357 PolarHBondContact O-OG1 2.89Å |
| 354 | I | 95.3 | Very high | 95.3 | Very high | 105 Ų | 105 | 111.8 Ų | 111.8 | 54% | 0.538 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.8 | -43 | 173 | -70.1 | 165.3 | 0 | 0 | 0 | 111.1 | L350 R351 N352 T357 K358 | L350-I354 WeakPolarHBondContact O-CB 3.34Å; L350-I354 WeakPolarHBondContact O-CD1 3.38Å; L350-I354 WeakPolarHBondContact O-CG1 3.48Å; L350-I354 PolarHBondContact O-N 3.49Å; R351-I354 PolarHBondContact O-N 2.8Å; N352-I354 PolarHBondContact O-N 3.22Å; I354-T357 WeakPolarHBondContact CA-OG1 3.47Å; I354-T357 PolarHBondContact O-OG1 3.2Å; I354-K358 VanDerWaalsContact O-CB 3.25Å; I354-K358 WeakPolarHBondContact O-CB 3.48Å; I354-K358 PolarHBondContact O-N 2.84Å |
| 355 | D | 95.6 | Very high | 95.4 | Very high | 82 Ų | 82 | 112.7 Ų | 112.7 | 44% | 0.439 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.9 | -36.5 | 178.7 | -75.1 | -23.2 | 0 | 0 | 0 | 112 | R351 N352 K359 | R351-D355 PolarHBondContact O-N 2.9Å; N352-D355 PolarHBondContact O-N 3.48Å; D355-K359 WeakPolarHBondContact O-CB 3.46Å; D355-K359 WeakPolarHBondContact O-CG 3.28Å; D355-K359 PolarHBondContact O-N 3.4Å |
| 356 | E | 95 | Very high | 95.5 | Very high | 129 Ų | 129 | 113.2 Ų | 113.2 | 60% | 0.603 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67 | -48.4 | 174.7 | -77 | 179.7 | -178.6 | 0 | 0 | 111.6 | N352 E353 K358 K359 E360 | N352-E356 WeakPolarHBondContact O-CB 3.24Å; N352-E356 WeakPolarHBondContact O-CG 3.25Å; N352-E356 PolarHBondContact O-N 3.31Å; E353-E356 PolarHBondContact O-N 3.47Å; E356-K358 VanDerWaalsContact C-N 3.28Å; E356-K358 PolarHBondContact O-N 3.33Å; E356-K359 WeakPolarHBondContact O-CB 3.38Å; E356-K359 PolarHBondContact O-N 3.26Å; E356-K359 VanDerWaalsContact O-N 3.15Å; E356-E360 WeakPolarHBondContact O-CB 3.39Å; E356-E360 PolarHBondContact O-N 2.89Å |
| 357 | T | 94.8 | Very high | 95.5 | Very high | 64 Ų | 64 | 109.9 Ų | 109.9 | 39% | 0.393 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.6 | -34.9 | 176 | 57.4 | 0 | 0 | 0 | 0 | 111.8 | E353 I354 K361 | E353-T357 WeakPolarHBondContact O-CB 3.37Å; E353-T357 WeakPolarHBondContact O-CG2 3.45Å; E353-T357 PolarHBondContact O-N 2.86Å; E353-T357 PolarHBondContact O-OG1 2.89Å; I354-T357 WeakPolarHBondContact CA-OG1 3.47Å; I354-T357 PolarHBondContact O-OG1 3.2Å; T357-K361 WeakPolarHBondContact O-CB 3.46Å; T357-K361 VanDerWaalsContact O-CG 3.32Å; T357-K361 WeakPolarHBondContact O-CG 3.43Å; T357-K361 PolarHBondContact O-N 2.86Å |
| 358 | K | 96.4 | Very high | 95.7 | Very high | 147 Ų | 147 | 111.5 Ų | 111.5 | 64% | 0.639 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.9 | -44.7 | 172.7 | -174.6 | 179.7 | 177.8 | -175.6 | 0 | 111.8 | I354 E356 E360 K361 E362 | I354-K358 VanDerWaalsContact O-CB 3.25Å; I354-K358 WeakPolarHBondContact O-CB 3.48Å; I354-K358 PolarHBondContact O-N 2.84Å; E356-K358 VanDerWaalsContact C-N 3.28Å; E356-K358 PolarHBondContact O-N 3.33Å; K358-E360 VanDerWaalsContact C-N 3.32Å; K358-E360 PolarHBondContact O-N 3.49Å; K358-K361 PolarHBondContact O-N 2.86Å; K358-E362 WeakPolarHBondContact O-CB 3.26Å; K358-E362 PolarHBondContact O-N 3.43Å |
| 359 | K | 96.7 | Very high | 95.7 | Very high | 126 Ų | 126 | 112 Ų | 112 | 55% | 0.548 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.2 | -39.4 | 175.6 | -77.2 | 170.1 | -176.8 | 174.1 | 0 | 111.7 | D355 E356 K363 | D355-K359 WeakPolarHBondContact O-CB 3.46Å; D355-K359 WeakPolarHBondContact O-CG 3.28Å; D355-K359 PolarHBondContact O-N 3.4Å; E356-K359 WeakPolarHBondContact O-CB 3.38Å; E356-K359 PolarHBondContact O-N 3.26Å; E356-K359 VanDerWaalsContact O-N 3.15Å; K359-K363 WeakPolarHBondContact O-CB 3.49Å; K359-K363 VanDerWaalsContact O-CG 3.27Å; K359-K363 WeakPolarHBondContact O-CG 3.37Å; K359-K363 PolarHBondContact O-N 3.22Å |
| 360 | E | 95.6 | Very high | 95.8 | Very high | 139 Ų | 139 | 113.1 Ų | 113.1 | 65% | 0.65 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -69.5 | -42.8 | 178.8 | -167 | 171.9 | -156.6 | 0 | 0 | 111.9 | E356 K358 E362 K363 L364 | E356-E360 WeakPolarHBondContact O-CB 3.39Å; E356-E360 PolarHBondContact O-N 2.89Å; K358-E360 VanDerWaalsContact C-N 3.32Å; K358-E360 PolarHBondContact O-N 3.49Å; E360-E362 PolarHBondContact O-N 2.65Å; E360-K363 PolarHBondContact O-N 2.67Å; E360-L364 PolarHBondContact O-N 2.97Å |
| 361 | K | 95.6 | Very high | 95.9 | Very high | 142 Ų | 142 | 114 Ų | 114 | 62% | 0.617 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -59.4 | -45.2 | 172 | -76.5 | 179.4 | 179.1 | -178.4 | 0 | 112.2 | T357 K358 K363 L364 E365 | T357-K361 WeakPolarHBondContact O-CB 3.46Å; T357-K361 VanDerWaalsContact O-CG 3.32Å; T357-K361 WeakPolarHBondContact O-CG 3.43Å; T357-K361 PolarHBondContact O-N 2.86Å; K358-K361 PolarHBondContact O-N 2.86Å; K361-K363 VanDerWaalsContact C-N 3.34Å; K361-K363 PolarHBondContact O-N 2.98Å; K361-L364 PolarHBondContact O-N 3.31Å; K361-E365 WeakPolarHBondContact O-CG 3.24Å; K361-E365 PolarHBondContact O-N 3.33Å |
| 362 | E | 96.1 | Very high | 96 | Very high | 87 Ų | 87 | 111.4 Ų | 111.4 | 41% | 0.407 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.8 | -38.6 | 177.7 | -166.5 | -167.2 | -158.6 | 0 | 0 | 111.8 | K358 E360 E365 R366 | K358-E362 WeakPolarHBondContact O-CB 3.26Å; K358-E362 PolarHBondContact O-N 3.43Å; E360-E362 PolarHBondContact O-N 2.65Å; E362-E365 PolarHBondContact O-N 3.35Å; E362-R366 WeakPolarHBondContact O-CB 3.41Å; E362-R366 VanDerWaalsContact O-CG 3.3Å; E362-R366 WeakPolarHBondContact O-CG 3.47Å; E362-R366 PolarHBondContact O-N 3.38Å; E362-R366 IonicContact OE1-CZ 2.66Å; E362-R366 IonicContact OE1-NH1 3.33Å; E362-R366 IonicContact OE1-NH2 3.84Å; E362-R366 PolarHBondContact OE1-NH2 2.86Å; E362-R366 IonicContact OE2-CZ 3.32Å; E362-R366 IonicContact OE2-NH1 3.47Å; E362-R366 PolarHBondContact OE2-NH1 3.28Å; E362-R366 IonicContact OE2-NH2 2.76Å; E362-R366 PolarHBondContact OE2-NH2 3.17Å |
| 363 | K | 96.8 | Very high | 96.1 | Very high | 132 Ų | 132 | 111.1 Ų | 111.1 | 57% | 0.574 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63 | -43.9 | 172.7 | -76 | 173.8 | -178.9 | -177.3 | 0 | 111.7 | K359 E360 K361 R366 M367 | K359-K363 WeakPolarHBondContact O-CB 3.49Å; K359-K363 VanDerWaalsContact O-CG 3.27Å; K359-K363 WeakPolarHBondContact O-CG 3.37Å; K359-K363 PolarHBondContact O-N 3.22Å; E360-K363 PolarHBondContact O-N 2.67Å; K361-K363 VanDerWaalsContact C-N 3.34Å; K361-K363 PolarHBondContact O-N 2.98Å; K363-R366 PolarHBondContact O-N 3.46Å; K363-M367 WeakPolarHBondContact O-CG 3.41Å; K363-M367 PolarHBondContact O-N 3.31Å |
| 364 | L | 95.6 | Very high | 96.2 | Very high | 88 Ų | 88 | 110.6 Ų | 110.6 | 46% | 0.461 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 177.9 | -168.1 | 76.7 | 0 | 0 | 0 | 111.7 | E360 K361 M367 K368 | E360-L364 PolarHBondContact O-N 2.97Å; K361-L364 PolarHBondContact O-N 3.31Å; L364-M367 HydrophobicContact CD1-CE 4.18Å; L364-M367 PolarHBondContact O-N 3.14Å; L364-K368 WeakPolarHBondContact O-CG 3.26Å; L364-K368 PolarHBondContact O-N 3.32Å |
| 365 | E | 95.8 | Very high | 96.4 | Very high | 136 Ų | 136 | 109.1 Ų | 109.1 | 64% | 0.636 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.7 | -41.9 | 175.4 | -76.2 | 176.4 | -173.5 | 0 | 0 | 112 | K361 E362 K368 S369 | K361-E365 WeakPolarHBondContact O-CG 3.24Å; K361-E365 PolarHBondContact O-N 3.33Å; E362-E365 PolarHBondContact O-N 3.35Å; E365-K368 PolarHBondContact O-N 3Å; E365-S369 WeakPolarHBondContact O-CB 3.47Å; E365-S369 PolarHBondContact O-N 2.84Å |
| 366 | R | 96.1 | Very high | 96.5 | Very high | 127 Ų | 127 | 107.7 Ų | 107.7 | 48% | 0.479 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 172.5 | -75.3 | -179.6 | -176.4 | 118.3 | -1 | 112 | E362 K363 S369 N370 | E362-R366 WeakPolarHBondContact O-CB 3.41Å; E362-R366 VanDerWaalsContact O-CG 3.3Å; E362-R366 WeakPolarHBondContact O-CG 3.47Å; E362-R366 PolarHBondContact O-N 3.38Å; E362-R366 IonicContact OE1-CZ 2.66Å; E362-R366 IonicContact OE1-NH1 3.33Å; E362-R366 IonicContact OE1-NH2 3.84Å; E362-R366 PolarHBondContact OE1-NH2 2.86Å; E362-R366 IonicContact OE2-CZ 3.32Å; E362-R366 IonicContact OE2-NH1 3.47Å; E362-R366 PolarHBondContact OE2-NH1 3.28Å; E362-R366 IonicContact OE2-NH2 2.76Å; E362-R366 PolarHBondContact OE2-NH2 3.17Å; K363-R366 PolarHBondContact O-N 3.46Å; R366-S369 PolarHBondContact O-N 2.83Å; R366-N370 WeakPolarHBondContact O-CB 3.35Å; R366-N370 PolarHBondContact O-N 3.3Å |
| 367 | M | 96.2 | Very high | 96.6 | Very high | 117 Ų | 117 | 108.5 Ų | 108.5 | 58% | 0.576 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62 | -44.5 | 176.8 | -74.3 | -170.7 | -69.6 | 0 | 0 | 111.7 | K363 L364 N370 E371 | K363-M367 WeakPolarHBondContact O-CG 3.41Å; K363-M367 PolarHBondContact O-N 3.31Å; L364-M367 HydrophobicContact CD1-CE 4.18Å; L364-M367 PolarHBondContact O-N 3.14Å; M367-N370 PolarHBondContact O-N 3.35Å; M367-E371 WeakPolarHBondContact O-CB 3.47Å; M367-E371 PolarHBondContact O-N 2.97Å |
| 368 | K | 97.1 | Very high | 96.8 | Very high | 129 Ų | 129 | 111.3 Ų | 111.3 | 56% | 0.561 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.6 | -42.5 | 175.7 | -72.7 | 178.4 | 179.5 | -177.9 | 0 | 112.4 | L364 E365 E371 I372 | L364-K368 WeakPolarHBondContact O-CG 3.26Å; L364-K368 PolarHBondContact O-N 3.32Å; E365-K368 PolarHBondContact O-N 3Å; K368-E371 PolarHBondContact O-N 3.23Å; K368-I372 VanDerWaalsContact O-CG1 3.3Å; K368-I372 WeakPolarHBondContact O-CG1 3.42Å; K368-I372 PolarHBondContact O-N 2.91Å |
| 369 | S | 96 | Very high | 96.9 | Very high | 65 Ų | 65 | 110.8 Ų | 110.8 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.5 | -42 | 177.4 | -178.4 | 0 | 0 | 0 | 0 | 111.7 | E365 R366 I372 C373 | E365-S369 WeakPolarHBondContact O-CB 3.47Å; E365-S369 PolarHBondContact O-N 2.84Å; R366-S369 PolarHBondContact O-N 2.83Å; S369-I372 PolarHBondContact O-N 3.25Å; S369-C373 PolarHBondContact O-N 3.24Å; S369-C373 PolarHBondContact O-SG 2.87Å |
| 370 | N | 96.9 | Very high | 96.9 | Very high | 111 Ų | 111 | 108.4 Ų | 108.4 | 59% | 0.594 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.4 | -42 | 175.1 | -73.3 | -10 | 0 | 0 | 0 | 111.8 | R366 M367 C373 F374 | R366-N370 WeakPolarHBondContact O-CB 3.35Å; R366-N370 PolarHBondContact O-N 3.3Å; M367-N370 PolarHBondContact O-N 3.35Å; N370-C373 PolarHBondContact O-N 2.97Å; N370-F374 WeakPolarHBondContact O-CB 3.46Å; N370-F374 PolarHBondContact O-N 3Å |
| 371 | E | 97.2 | Very high | 97 | Very high | 98 Ų | 98 | 106.7 Ų | 106.7 | 46% | 0.458 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 176 | -178.3 | 56.3 | -149.1 | 0 | 0 | 111.5 | M367 K368 C373 F374 Q375 | M367-E371 WeakPolarHBondContact O-CB 3.47Å; M367-E371 PolarHBondContact O-N 2.97Å; K368-E371 PolarHBondContact O-N 3.23Å; E371-C373 VanDerWaalsContact C-N 3.33Å; E371-C373 PolarHBondContact O-N 3.44Å; E371-F374 PolarHBondContact O-N 2.96Å; E371-Q375 WeakPolarHBondContact O-CG 3.39Å; E371-Q375 PolarHBondContact O-N 3.19Å; E371-Q375 WeakPolarHBondContact OE1-CG 3.44Å; E371-Q375 PolarHBondContact OE1-NE2 3.33Å |
| 372 | I | 97.3 | Very high | 97.1 | Very high | 118 Ų | 118 | 105.6 Ų | 105.6 | 61% | 0.605 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61 | -43.1 | 176 | -67.4 | 165.9 | 0 | 0 | 0 | 110.8 | K368 S369 F374 Q375 A376 | K368-I372 VanDerWaalsContact O-CG1 3.3Å; K368-I372 WeakPolarHBondContact O-CG1 3.42Å; K368-I372 PolarHBondContact O-N 2.91Å; S369-I372 PolarHBondContact O-N 3.25Å; I372-F374 VanDerWaalsContact C-N 3.34Å; I372-F374 PolarHBondContact O-N 3.27Å; I372-Q375 PolarHBondContact O-N 2.84Å; I372-A376 WeakPolarHBondContact O-CB 3.4Å; I372-A376 PolarHBondContact O-N 3.41Å |
| 373 | C | 97.2 | Very high | 97.2 | Very high | 76 Ų | 76 | 105.7 Ų | 105.7 | 51% | 0.514 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 176.7 | -68.1 | 0 | 0 | 0 | 0 | 111.9 | S369 N370 E371 A376 W377 | S369-C373 PolarHBondContact O-N 3.24Å; S369-C373 PolarHBondContact O-SG 2.87Å; N370-C373 PolarHBondContact O-N 2.97Å; E371-C373 VanDerWaalsContact C-N 3.33Å; E371-C373 PolarHBondContact O-N 3.44Å; C373-A376 PolarHBondContact O-N 3.47Å; C373-W377 WeakPolarHBondContact O-CB 3.37Å; C373-W377 PolarHBondContact O-N 3.21Å |
| 374 | F | 97.8 | Very high | 97.2 | Very high | 104 Ų | 104 | 104 Ų | 104 | 46% | 0.456 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.4 | -44.1 | 177.9 | -179.4 | -108 | 0 | 0 | 0 | 111.9 | N370 E371 I372 W377 K378 | N370-F374 WeakPolarHBondContact O-CB 3.46Å; N370-F374 PolarHBondContact O-N 3Å; E371-F374 PolarHBondContact O-N 2.96Å; I372-F374 VanDerWaalsContact C-N 3.34Å; I372-F374 PolarHBondContact O-N 3.27Å; F374-W377 HydrophobicContact CD2-CE3 4.07Å; F374-W377 HydrophobicContact CD2-CZ3 4.39Å; F374-W377 AromaticContact CE2-CE3 3.94Å; F374-W377 HydrophobicContact CE2-CE3 3.94Å; F374-W377 AromaticContact CE2-CZ3 3.83Å; F374-W377 HydrophobicContact CE2-CZ3 3.83Å; F374-W377 PolarHBondContact O-N 2.86Å; F374-K378 WeakPolarHBondContact O-CB 3.36Å; F374-K378 PolarHBondContact O-N 3.39Å |
| 375 | Q | 97.8 | Very high | 97.3 | Very high | 75 Ų | 75 | 104.7 Ų | 104.7 | 35% | 0.35 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 175.8 | -66.6 | -64 | -14 | 0 | 0 | 112.1 | E371 I372 W377 K378 Q379 | E371-Q375 WeakPolarHBondContact O-CG 3.39Å; E371-Q375 PolarHBondContact O-N 3.19Å; E371-Q375 WeakPolarHBondContact OE1-CG 3.44Å; E371-Q375 PolarHBondContact OE1-NE2 3.33Å; I372-Q375 PolarHBondContact O-N 2.84Å; Q375-W377 VanDerWaalsContact C-N 3.31Å; Q375-W377 PolarHBondContact O-N 2.92Å; Q375-K378 PolarHBondContact O-N 3.3Å; Q375-Q379 WeakPolarHBondContact O-CB 3.33Å; Q375-Q379 WeakPolarHBondContact O-CG 3.45Å; Q375-Q379 PolarHBondContact O-N 3.19Å |
| 376 | A | 98.1 | Very high | 97.4 | Very high | 52 Ų | 52 | 100.7 Ų | 100.7 | 43% | 0.43 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61 | -40.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I372 C373 S380 | I372-A376 WeakPolarHBondContact O-CB 3.4Å; I372-A376 PolarHBondContact O-N 3.41Å; C373-A376 PolarHBondContact O-N 3.47Å; A376-S380 VanDerWaalsContact O-CB 3.3Å; A376-S380 WeakPolarHBondContact O-CB 3.44Å; A376-S380 PolarHBondContact O-N 3.39Å |
| 377 | W | 98.2 | Very high | 97.5 | Very high | 145 Ų | 145 | 98.4 Ų | 98.4 | 55% | 0.549 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.8 | -46.1 | 174.2 | 176 | 80.2 | 0 | 0 | 0 | 111.9 | C373 F374 Q375 Q379 S380 K381 | C373-W377 WeakPolarHBondContact O-CB 3.37Å; C373-W377 PolarHBondContact O-N 3.21Å; F374-W377 HydrophobicContact CD2-CE3 4.07Å; F374-W377 HydrophobicContact CD2-CZ3 4.39Å; F374-W377 AromaticContact CE2-CE3 3.94Å; F374-W377 HydrophobicContact CE2-CE3 3.94Å; F374-W377 AromaticContact CE2-CZ3 3.83Å; F374-W377 HydrophobicContact CE2-CZ3 3.83Å; F374-W377 PolarHBondContact O-N 2.86Å; Q375-W377 VanDerWaalsContact C-N 3.31Å; Q375-W377 PolarHBondContact O-N 2.92Å; W377-Q379 PolarHBondContact O-N 3.38Å; W377-S380 PolarHBondContact O-N 2.91Å; W377-K381 HydrophobicContact CD2-CG 4.25Å; W377-K381 HydrophobicContact CZ2-CG 4.18Å; W377-K381 WeakPolarHBondContact O-CG 3.37Å; W377-K381 PolarHBondContact O-N 3.27Å |
| 378 | K | 98.1 | Very high | 97.5 | Very high | 123 Ų | 123 | 95.8 Ų | 95.8 | 54% | 0.535 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.8 | -46 | 176.9 | -174.1 | 179 | 179.6 | -179.8 | 0 | 111.6 | F374 Q375 K381 H382 | F374-K378 WeakPolarHBondContact O-CB 3.36Å; F374-K378 PolarHBondContact O-N 3.39Å; Q375-K378 PolarHBondContact O-N 3.3Å; K378-K381 PolarHBondContact O-N 3.28Å; K378-H382 PolarHBondContact O-N 3.42Å |
| 379 | Q | 97.9 | Very high | 97.5 | Very high | 137 Ų | 137 | 93.7 Ų | 93.7 | 64% | 0.64 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.5 | -43.9 | 175.7 | -72.7 | 179.3 | -6.9 | 0 | 0 | 112 | Q375 W377 K381 H382 Q383 | Q375-Q379 WeakPolarHBondContact O-CB 3.33Å; Q375-Q379 WeakPolarHBondContact O-CG 3.45Å; Q375-Q379 PolarHBondContact O-N 3.19Å; W377-Q379 PolarHBondContact O-N 3.38Å; Q379-K381 VanDerWaalsContact C-N 3.32Å; Q379-K381 PolarHBondContact O-N 3.35Å; Q379-H382 PolarHBondContact O-N 3.46Å; Q379-Q383 WeakPolarHBondContact O-CB 3.42Å; Q379-Q383 PolarHBondContact O-N 3.16Å |
| 380 | S | 97.8 | Very high | 97.5 | Very high | 75 Ų | 75 | 96.8 Ų | 96.8 | 52% | 0.524 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60 | -41.4 | 176.2 | -179.8 | 0 | 0 | 0 | 0 | 112 | A376 W377 Q383 L384 | A376-S380 VanDerWaalsContact O-CB 3.3Å; A376-S380 WeakPolarHBondContact O-CB 3.44Å; A376-S380 PolarHBondContact O-N 3.39Å; W377-S380 PolarHBondContact O-N 2.91Å; S380-Q383 PolarHBondContact O-N 2.92Å; S380-L384 WeakPolarHBondContact O-CB 3.36Å; S380-L384 PolarHBondContact O-N 2.92Å |
| 381 | K | 98 | Very high | 97.6 | Very high | 104 Ų | 104 | 98 Ų | 98 | 45% | 0.452 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 175.3 | -70.9 | -65.2 | -177.4 | -178.8 | 0 | 112.5 | W377 K378 Q379 L384 L385 | W377-K381 HydrophobicContact CD2-CG 4.25Å; W377-K381 HydrophobicContact CZ2-CG 4.18Å; W377-K381 WeakPolarHBondContact O-CG 3.37Å; W377-K381 PolarHBondContact O-N 3.27Å; K378-K381 PolarHBondContact O-N 3.28Å; Q379-K381 VanDerWaalsContact C-N 3.32Å; Q379-K381 PolarHBondContact O-N 3.35Å; K381-L384 PolarHBondContact O-N 3.3Å; K381-L385 WeakPolarHBondContact O-CG 3.33Å; K381-L385 PolarHBondContact O-N 3.22Å; K381-L385 VanDerWaalsContact O-N 3.13Å |
| 382 | H | 97.6 | Very high | 97.5 | Very high | 118 Ų | 118 | 100.6 Ų | 100.6 | 55% | 0.546 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63 | -42.8 | 175.6 | -174.3 | 67.5 | 0 | 0 | 0 | 112 | K378 Q379 L384 L385 I386 | K378-H382 PolarHBondContact O-N 3.42Å; Q379-H382 PolarHBondContact O-N 3.46Å; H382-L384 PolarHBondContact O-N 3.49Å; H382-L385 WeakPolarHBondContact O-CB 3.24Å; H382-L385 PolarHBondContact O-N 3.28Å; H382-I386 WeakPolarHBondContact NE2-CD1 3.29Å; H382-I386 WeakPolarHBondContact O-CG1 3.34Å; H382-I386 PolarHBondContact O-N 3.37Å |
| 383 | Q | 97.4 | Very high | 97.5 | Very high | 89 Ų | 89 | 101.1 Ų | 101.1 | 42% | 0.416 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 177.2 | -171.9 | 58.9 | 48 | 0 | 0 | 111.9 | Q379 S380 L385 I386 D387 | Q379-Q383 WeakPolarHBondContact O-CB 3.42Å; Q379-Q383 PolarHBondContact O-N 3.16Å; S380-Q383 PolarHBondContact O-N 2.92Å; Q383-L385 VanDerWaalsContact C-N 3.31Å; Q383-L385 PolarHBondContact O-N 3.48Å; Q383-I386 PolarHBondContact O-N 2.94Å; Q383-I386 VanDerWaalsContact O-N 3.17Å; Q383-D387 PolarHBondContact NE2-OD1 3.12Å; Q383-D387 PolarHBondContact NE2-OD2 3.44Å; Q383-D387 WeakPolarHBondContact O-CB 3.3Å; Q383-D387 VanDerWaalsContact O-CG 3.28Å; Q383-D387 PolarHBondContact O-N 2.91Å |
| 384 | L | 97.4 | Very high | 97.5 | Very high | 97 Ų | 97 | 100.3 Ų | 100.3 | 51% | 0.508 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.3 | -40.3 | 175.6 | -171.3 | 153.8 | 0 | 0 | 0 | 111.8 | S380 K381 H382 D387 T388 | S380-L384 WeakPolarHBondContact O-CB 3.36Å; S380-L384 PolarHBondContact O-N 2.92Å; K381-L384 PolarHBondContact O-N 3.3Å; H382-L384 PolarHBondContact O-N 3.49Å; L384-D387 PolarHBondContact O-N 2.96Å; L384-T388 HydrophobicContact CD2-CG2 4Å; L384-T388 WeakPolarHBondContact O-CB 3.5Å; L384-T388 VanDerWaalsContact O-CG2 3.25Å; L384-T388 WeakPolarHBondContact O-CG2 3.35Å; L384-T388 PolarHBondContact O-N 2.93Å; L384-T388 PolarHBondContact O-OG1 2.79Å |
| 385 | L | 97.3 | Very high | 97.4 | Very high | 102 Ų | 102 | 100.1 Ų | 100.1 | 53% | 0.534 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 174.5 | -73.5 | 162.6 | 0 | 0 | 0 | 111.7 | K381 H382 Q383 D387 T388 I389 | K381-L385 WeakPolarHBondContact O-CG 3.33Å; K381-L385 PolarHBondContact O-N 3.22Å; K381-L385 VanDerWaalsContact O-N 3.13Å; H382-L385 WeakPolarHBondContact O-CB 3.24Å; H382-L385 PolarHBondContact O-N 3.28Å; Q383-L385 VanDerWaalsContact C-N 3.31Å; Q383-L385 PolarHBondContact O-N 3.48Å; L385-D387 PolarHBondContact O-N 3.37Å; L385-T388 WeakPolarHBondContact CA-OG1 3.31Å; L385-T388 PolarHBondContact O-N 3.45Å; L385-T388 PolarHBondContact O-OG1 3.48Å; L385-I389 WeakPolarHBondContact O-CD1 3.23Å; L385-I389 VanDerWaalsContact O-CG1 3.26Å; L385-I389 WeakPolarHBondContact O-CG1 3.25Å; L385-I389 PolarHBondContact O-N 2.97Å |
| 386 | I | 97.5 | Very high | 97.3 | Very high | 52 Ų | 52 | 101.8 Ų | 101.8 | 27% | 0.267 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 175.8 | -68.8 | 169.3 | 0 | 0 | 0 | 110.9 | H382 Q383 T388 I389 K390 | H382-I386 WeakPolarHBondContact NE2-CD1 3.29Å; H382-I386 WeakPolarHBondContact O-CG1 3.34Å; H382-I386 PolarHBondContact O-N 3.37Å; Q383-I386 PolarHBondContact O-N 2.94Å; Q383-I386 VanDerWaalsContact O-N 3.17Å; I386-T388 PolarHBondContact O-N 2.89Å; I386-I389 PolarHBondContact O-N 3.43Å; I386-K390 HydrophobicContact CG2-CD 3.93Å; I386-K390 HydrophobicContact CG2-CG 4.33Å; I386-K390 WeakPolarHBondContact O-CB 3.4Å; I386-K390 WeakPolarHBondContact O-CG 3.46Å; I386-K390 PolarHBondContact O-N 3.32Å |
| 387 | D | 97.8 | Very high | 97.2 | Very high | 79 Ų | 79 | 105 Ų | 105 | 42% | 0.422 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.6 | -37.6 | -176.9 | -68.3 | -18.6 | 0 | 0 | 0 | 111.7 | Q383 L384 L385 K390 K391 | Q383-D387 PolarHBondContact NE2-OD1 3.12Å; Q383-D387 PolarHBondContact NE2-OD2 3.44Å; Q383-D387 WeakPolarHBondContact O-CB 3.3Å; Q383-D387 VanDerWaalsContact O-CG 3.28Å; Q383-D387 PolarHBondContact O-N 2.91Å; L384-D387 PolarHBondContact O-N 2.96Å; L385-D387 PolarHBondContact O-N 3.37Å; D387-K390 PolarHBondContact O-N 3.19Å; D387-K391 VanDerWaalsContact O-CB 3.24Å; D387-K391 WeakPolarHBondContact O-CB 3.41Å; D387-K391 PolarHBondContact O-N 3.11Å |
| 388 | T | 96.7 | Very high | 97.1 | Very high | 62 Ų | 62 | 100.5 Ų | 100.5 | 38% | 0.38 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.5 | -39.8 | 173.9 | 52.7 | 0 | 0 | 0 | 0 | 112.3 | L384 L385 I386 R392 | L384-T388 HydrophobicContact CD2-CG2 4Å; L384-T388 WeakPolarHBondContact O-CB 3.5Å; L384-T388 VanDerWaalsContact O-CG2 3.25Å; L384-T388 WeakPolarHBondContact O-CG2 3.35Å; L384-T388 PolarHBondContact O-N 2.93Å; L384-T388 PolarHBondContact O-OG1 2.79Å; L385-T388 WeakPolarHBondContact CA-OG1 3.31Å; L385-T388 PolarHBondContact O-N 3.45Å; L385-T388 PolarHBondContact O-OG1 3.48Å; I386-T388 PolarHBondContact O-N 2.89Å; T388-R392 WeakPolarHBondContact O-CB 3.49Å; T388-R392 PolarHBondContact O-N 2.93Å |
| 389 | I | 96.9 | Very high | 97 | Very high | 86 Ų | 86 | 100.9 Ų | 100.9 | 44% | 0.441 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.7 | -45.6 | 174.5 | -67.5 | 166 | 0 | 0 | 0 | 110.8 | L385 I386 K391 R392 K393 | L385-I389 WeakPolarHBondContact O-CD1 3.23Å; L385-I389 VanDerWaalsContact O-CG1 3.26Å; L385-I389 WeakPolarHBondContact O-CG1 3.25Å; L385-I389 PolarHBondContact O-N 2.97Å; I386-I389 PolarHBondContact O-N 3.43Å; I389-K391 PolarHBondContact O-N 2.9Å; I389-R392 PolarHBondContact O-N 3.23Å; I389-K393 HydrophobicContact CG2-CD 4.29Å; I389-K393 WeakPolarHBondContact O-CG 3.48Å; I389-K393 PolarHBondContact O-N 2.85Å |
| 390 | K | 97.7 | Very high | 97 | Very high | 130 Ų | 130 | 101.2 Ų | 101.2 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61 | -43.9 | 177.2 | -76 | 177.8 | 179.6 | 174.9 | 0 | 111.5 | I386 D387 K393 A394 | I386-K390 HydrophobicContact CG2-CD 3.93Å; I386-K390 HydrophobicContact CG2-CG 4.33Å; I386-K390 WeakPolarHBondContact O-CB 3.4Å; I386-K390 WeakPolarHBondContact O-CG 3.46Å; I386-K390 PolarHBondContact O-N 3.32Å; D387-K390 PolarHBondContact O-N 3.19Å; K390-K393 PolarHBondContact O-N 3.41Å; K390-A394 WeakPolarHBondContact O-CB 3.41Å; K390-A394 PolarHBondContact O-N 3Å |
| 391 | K | 97.4 | Very high | 96.9 | Very high | 136 Ų | 136 | 103.6 Ų | 103.6 | 59% | 0.591 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.6 | -46.8 | 177.2 | -173.4 | 179.7 | 178.6 | -174.6 | 0 | 111.5 | D387 I389 K393 A394 E395 | D387-K391 VanDerWaalsContact O-CB 3.24Å; D387-K391 WeakPolarHBondContact O-CB 3.41Å; D387-K391 PolarHBondContact O-N 3.11Å; I389-K391 PolarHBondContact O-N 2.9Å; K391-K393 PolarHBondContact O-N 3.37Å; K391-A394 PolarHBondContact O-N 3.27Å; K391-E395 WeakPolarHBondContact CE-OE1 3.33Å; K391-E395 WeakPolarHBondContact O-CG 3.42Å; K391-E395 PolarHBondContact O-N 3.4Å |
| 392 | R | 96.3 | Very high | 96.8 | Very high | 153 Ų | 153 | 105.5 Ų | 105.5 | 58% | 0.577 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.8 | -46.4 | 176.5 | -172.6 | -176.5 | -62.3 | 154.4 | 1.5 | 111.9 | T388 I389 A394 E395 E396 | T388-R392 WeakPolarHBondContact O-CB 3.49Å; T388-R392 PolarHBondContact O-N 2.93Å; I389-R392 PolarHBondContact O-N 3.23Å; R392-A394 VanDerWaalsContact C-N 3.32Å; R392-A394 PolarHBondContact O-N 3.5Å; R392-E395 PolarHBondContact O-N 2.94Å; R392-E396 WeakPolarHBondContact O-CG 3.49Å; R392-E396 PolarHBondContact O-N 3.42Å |
| 393 | K | 97.2 | Very high | 96.7 | Very high | 129 Ų | 129 | 105 Ų | 105 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.3 | -39.2 | 176.5 | -73.6 | -177.2 | 176.9 | -174.3 | 0 | 112.5 | I389 K390 K391 L397 | I389-K393 HydrophobicContact CG2-CD 4.29Å; I389-K393 WeakPolarHBondContact O-CG 3.48Å; I389-K393 PolarHBondContact O-N 2.85Å; K390-K393 PolarHBondContact O-N 3.41Å; K391-K393 PolarHBondContact O-N 3.37Å; K393-L397 WeakPolarHBondContact O-CB 3.23Å; K393-L397 WeakPolarHBondContact O-CG 3.3Å; K393-L397 PolarHBondContact O-N 3.24Å |
| 394 | A | 96.8 | Very high | 96.6 | Very high | 59 Ų | 59 | 105.8 Ų | 105.8 | 49% | 0.488 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.4 | -39.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K390 K391 R392 A398 | K390-A394 WeakPolarHBondContact O-CB 3.41Å; K390-A394 PolarHBondContact O-N 3Å; K391-A394 PolarHBondContact O-N 3.27Å; R392-A394 VanDerWaalsContact C-N 3.32Å; R392-A394 PolarHBondContact O-N 3.5Å; A394-A398 WeakPolarHBondContact O-CB 3.3Å; A394-A398 PolarHBondContact O-N 2.88Å |
| 395 | E | 96.2 | Very high | 96.6 | Very high | 99 Ų | 99 | 105.1 Ų | 105.1 | 46% | 0.463 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.2 | -43.6 | 174.9 | -72.7 | 171.4 | -176.6 | 0 | 0 | 111.8 | K391 R392 A398 Q399 | K391-E395 WeakPolarHBondContact CE-OE1 3.33Å; K391-E395 WeakPolarHBondContact O-CG 3.42Å; K391-E395 PolarHBondContact O-N 3.4Å; R392-E395 PolarHBondContact O-N 2.94Å; E395-A398 PolarHBondContact O-N 3.41Å; E395-Q399 WeakPolarHBondContact O-CG 3.28Å; E395-Q399 PolarHBondContact O-N 2.88Å |
| 396 | E | 95.7 | Very high | 96.5 | Very high | 111 Ų | 111 | 103.9 Ų | 103.9 | 52% | 0.519 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 175.1 | -75.5 | 172.4 | -169.9 | 0 | 0 | 112.1 | R392 Q399 K400 | R392-E396 WeakPolarHBondContact O-CG 3.49Å; R392-E396 PolarHBondContact O-N 3.42Å; E396-Q399 PolarHBondContact O-N 3.35Å; E396-K400 WeakPolarHBondContact O-CB 3.39Å; E396-K400 PolarHBondContact O-N 3.35Å |
| 397 | L | 95.7 | Very high | 96.5 | Very high | 120 Ų | 120 | 107.5 Ų | 107.5 | 63% | 0.628 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.8 | -40.6 | 175 | -74.5 | 174.6 | 0 | 0 | 0 | 112 | K393 K400 K401 | K393-L397 WeakPolarHBondContact O-CB 3.23Å; K393-L397 WeakPolarHBondContact O-CG 3.3Å; K393-L397 PolarHBondContact O-N 3.24Å; L397-K400 PolarHBondContact O-N 2.94Å; L397-K401 WeakPolarHBondContact O-CB 3.43Å; L397-K401 PolarHBondContact O-N 3.08Å |
| 398 | A | 96.6 | Very high | 96.4 | Very high | 50 Ų | 50 | 109.5 Ų | 109.5 | 41% | 0.413 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.2 | -37.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A394 E395 K402 | A394-A398 WeakPolarHBondContact O-CB 3.3Å; A394-A398 PolarHBondContact O-N 2.88Å; E395-A398 PolarHBondContact O-N 3.41Å; A398-K402 WeakPolarHBondContact O-CB 3.32Å; A398-K402 VanDerWaalsContact O-CG 3.31Å; A398-K402 WeakPolarHBondContact O-CG 3.39Å; A398-K402 PolarHBondContact O-N 3.06Å |
| 399 | Q | 96 | Very high | 96.3 | Very high | 130 Ų | 130 | 114 Ų | 114 | 61% | 0.607 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67 | -44.7 | 174.1 | -74.3 | -179.5 | 8.4 | 0 | 0 | 111.7 | E395 E396 K401 K402 L403 | E395-Q399 WeakPolarHBondContact O-CG 3.28Å; E395-Q399 PolarHBondContact O-N 2.88Å; E396-Q399 PolarHBondContact O-N 3.35Å; Q399-K401 PolarHBondContact O-N 3.43Å; Q399-K402 PolarHBondContact O-N 3.26Å; Q399-L403 WeakPolarHBondContact O-CG 3.46Å; Q399-L403 PolarHBondContact O-N 2.95Å |
| 400 | K | 96.3 | Very high | 96.3 | Very high | 144 Ų | 144 | 115.3 Ų | 115.3 | 63% | 0.626 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -59.2 | -46.2 | 176.4 | -172.6 | 179.3 | 177.8 | -176.4 | 0 | 111.4 | E396 L397 K402 L403 E404 | E396-K400 WeakPolarHBondContact O-CB 3.39Å; E396-K400 PolarHBondContact O-N 3.35Å; L397-K400 PolarHBondContact O-N 2.94Å; K400-K402 PolarHBondContact O-N 3.11Å; K400-L403 PolarHBondContact O-N 2.9Å; K400-E404 WeakPolarHBondContact O-CB 3.45Å; K400-E404 PolarHBondContact O-N 3.43Å |
| 401 | K | 96.6 | Very high | 96.2 | Very high | 126 Ų | 126 | 113.8 Ų | 113.8 | 55% | 0.548 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 176.6 | -170.3 | -179.1 | -177.1 | -167.4 | 0 | 112.2 | L397 Q399 L403 E404 E405 | L397-K401 WeakPolarHBondContact O-CB 3.43Å; L397-K401 PolarHBondContact O-N 3.08Å; Q399-K401 PolarHBondContact O-N 3.43Å; K401-L403 PolarHBondContact O-N 3.42Å; K401-E404 PolarHBondContact O-N 2.83Å; K401-E405 WeakPolarHBondContact CE-OE1 3.38Å; K401-E405 HydrophobicContact CG-CG 4.5Å; K401-E405 IonicContact NZ-OE1 3.55Å; K401-E405 WeakPolarHBondContact O-CB 3.41Å; K401-E405 WeakPolarHBondContact O-CG 3.41Å; K401-E405 PolarHBondContact O-N 3.5Å |
| 402 | K | 96.3 | Very high | 96.1 | Very high | 143 Ų | 143 | 112.6 Ų | 112.6 | 62% | 0.622 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.2 | -39.8 | 176.2 | -77.6 | 178.5 | 178.6 | -176.2 | 0 | 112.9 | A398 Q399 K400 E406 | A398-K402 WeakPolarHBondContact O-CB 3.32Å; A398-K402 VanDerWaalsContact O-CG 3.31Å; A398-K402 WeakPolarHBondContact O-CG 3.39Å; A398-K402 PolarHBondContact O-N 3.06Å; Q399-K402 PolarHBondContact O-N 3.26Å; K400-K402 PolarHBondContact O-N 3.11Å; K402-E406 WeakPolarHBondContact O-CB 3.34Å; K402-E406 PolarHBondContact O-N 3.29Å |
| 403 | L | 95.2 | Very high | 96.1 | Very high | 108 Ų | 108 | 108.8 Ų | 108.8 | 57% | 0.565 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.3 | -41.6 | 176.1 | -75.1 | 172.4 | 0 | 0 | 0 | 111.6 | Q399 K400 K401 E406 Q407 | Q399-L403 WeakPolarHBondContact O-CG 3.46Å; Q399-L403 PolarHBondContact O-N 2.95Å; K400-L403 PolarHBondContact O-N 2.9Å; K401-L403 PolarHBondContact O-N 3.42Å; L403-E406 PolarHBondContact O-N 2.96Å; L403-Q407 WeakPolarHBondContact O-CG 3.43Å; L403-Q407 PolarHBondContact O-N 2.97Å |
| 404 | E | 96 | Very high | 96.1 | Very high | 105 Ų | 105 | 107.8 Ų | 107.8 | 49% | 0.491 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.5 | -48.7 | 175.5 | -173.2 | 169.7 | -157.7 | 0 | 0 | 111.5 | K400 K401 E406 Q407 E408 | K400-E404 WeakPolarHBondContact O-CB 3.45Å; K400-E404 PolarHBondContact O-N 3.43Å; K401-E404 PolarHBondContact O-N 2.83Å; E404-E406 VanDerWaalsContact C-N 3.28Å; E404-E406 PolarHBondContact O-N 3.46Å; E404-Q407 PolarHBondContact O-N 3.29Å; E404-Q407 VanDerWaalsContact O-N 3.12Å; E404-E408 WeakPolarHBondContact O-CG 3.36Å; E404-E408 PolarHBondContact O-N 2.9Å |
| 405 | E | 96.3 | Very high | 96.2 | Very high | 84 Ų | 84 | 111.5 Ų | 111.5 | 39% | 0.393 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.4 | -34.2 | 174.9 | -73.4 | 174.2 | -171.2 | 0 | 0 | 112.6 | K401 R409 | K401-E405 WeakPolarHBondContact CE-OE1 3.38Å; K401-E405 HydrophobicContact CG-CG 4.5Å; K401-E405 IonicContact NZ-OE1 3.55Å; K401-E405 WeakPolarHBondContact O-CB 3.41Å; K401-E405 WeakPolarHBondContact O-CG 3.41Å; K401-E405 PolarHBondContact O-N 3.5Å; E405-R409 WeakPolarHBondContact O-CB 3.4Å; E405-R409 VanDerWaalsContact O-CG 3.24Å; E405-R409 WeakPolarHBondContact O-CG 3.35Å; E405-R409 PolarHBondContact O-N 3.46Å; E405-R409 PolarHBondContact O-NE 3.25Å |
| 406 | E | 96.1 | Very high | 96.2 | Very high | 75 Ų | 75 | 109.6 Ų | 109.6 | 35% | 0.35 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -71.3 | -40.9 | 173.9 | -168.2 | -178.1 | 153.7 | 0 | 0 | 112.3 | K402 L403 E404 R409 K410 | K402-E406 WeakPolarHBondContact O-CB 3.34Å; K402-E406 PolarHBondContact O-N 3.29Å; L403-E406 PolarHBondContact O-N 2.96Å; E404-E406 VanDerWaalsContact C-N 3.28Å; E404-E406 PolarHBondContact O-N 3.46Å; E406-R409 PolarHBondContact O-N 3.29Å; E406-K410 WeakPolarHBondContact O-CG 3.39Å; E406-K410 PolarHBondContact O-N 2.71Å; E406-K410 VanDerWaalsContact OE1-CE 3.27Å; E406-K410 WeakPolarHBondContact OE1-CE 3.42Å; E406-K410 IonicContact OE1-NZ 3.93Å; E406-K410 PolarHBondContact OE1-NZ 2.95Å |
| 407 | Q | 96.1 | Very high | 96.3 | Very high | 128 Ų | 128 | 109.7 Ų | 109.7 | 60% | 0.598 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.7 | -43.7 | 174.3 | -75.3 | -178.5 | -7.7 | 0 | 0 | 111.6 | L403 E404 R409 K410 L411 | L403-Q407 WeakPolarHBondContact O-CG 3.43Å; L403-Q407 PolarHBondContact O-N 2.97Å; E404-Q407 PolarHBondContact O-N 3.29Å; E404-Q407 VanDerWaalsContact O-N 3.12Å; Q407-R409 PolarHBondContact O-N 2.9Å; Q407-K410 PolarHBondContact O-N 3.45Å; Q407-L411 WeakPolarHBondContact O-CG 3.48Å; Q407-L411 PolarHBondContact O-N 3.49Å |
| 408 | E | 95.9 | Very high | 96.4 | Very high | 121 Ų | 121 | 108 Ų | 108 | 57% | 0.565 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.8 | -42.8 | 174.6 | -74 | -173.7 | 168.1 | 0 | 0 | 111.8 | E404 K410 L411 N412 | E404-E408 WeakPolarHBondContact O-CG 3.36Å; E404-E408 PolarHBondContact O-N 2.9Å; E408-K410 VanDerWaalsContact C-N 3.34Å; E408-K410 PolarHBondContact O-N 2.9Å; E408-L411 PolarHBondContact O-N 2.91Å; E408-N412 VanDerWaalsContact O-CB 3.24Å; E408-N412 WeakPolarHBondContact O-CB 3.37Å; E408-N412 PolarHBondContact O-N 3.47Å |
| 409 | R | 95.2 | Very high | 96.5 | Very high | 156 Ų | 156 | 110.6 Ų | 110.6 | 59% | 0.589 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.9 | -41.8 | 174.1 | -79 | -177.3 | -65.8 | 133.1 | -3.3 | 112 | E405 E406 Q407 N412 S413 | E405-R409 WeakPolarHBondContact O-CB 3.4Å; E405-R409 VanDerWaalsContact O-CG 3.24Å; E405-R409 WeakPolarHBondContact O-CG 3.35Å; E405-R409 PolarHBondContact O-N 3.46Å; E405-R409 PolarHBondContact O-NE 3.25Å; E406-R409 PolarHBondContact O-N 3.29Å; Q407-R409 PolarHBondContact O-N 2.9Å; R409-N412 PolarHBondContact O-N 2.98Å; R409-S413 WeakPolarHBondContact O-CB 3.26Å; R409-S413 PolarHBondContact O-N 3.31Å; R409-S413 PolarHBondContact O-OG 3.36Å |
| 410 | K | 96.8 | Very high | 96.6 | Very high | 115 Ų | 115 | 111.2 Ų | 111.2 | 50% | 0.5 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.6 | -52 | 175.4 | -75.4 | 173.5 | -176 | 166 | 0 | 111 | E406 Q407 E408 N412 S413 E414 | E406-K410 WeakPolarHBondContact O-CG 3.39Å; E406-K410 PolarHBondContact O-N 2.71Å; E406-K410 VanDerWaalsContact OE1-CE 3.27Å; E406-K410 WeakPolarHBondContact OE1-CE 3.42Å; E406-K410 IonicContact OE1-NZ 3.93Å; E406-K410 PolarHBondContact OE1-NZ 2.95Å; Q407-K410 PolarHBondContact O-N 3.45Å; E408-K410 VanDerWaalsContact C-N 3.34Å; E408-K410 PolarHBondContact O-N 2.9Å; K410-N412 VanDerWaalsContact C-N 3.31Å; K410-N412 PolarHBondContact O-N 3.38Å; K410-S413 PolarHBondContact O-N 3.21Å; K410-S413 PolarHBondContact O-OG 3.49Å; K410-E414 WeakPolarHBondContact O-CB 3.34Å; K410-E414 PolarHBondContact O-N 3.22Å |
| 411 | L | 95.2 | Very high | 96.7 | Very high | 97 Ų | 97 | 109.3 Ų | 109.3 | 51% | 0.508 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.7 | -38.9 | 177.9 | -70.4 | 175.2 | 0 | 0 | 0 | 112.5 | Q407 E408 E414 K415 | Q407-L411 WeakPolarHBondContact O-CG 3.48Å; Q407-L411 PolarHBondContact O-N 3.49Å; E408-L411 PolarHBondContact O-N 2.91Å; L411-E414 PolarHBondContact O-N 2.76Å; L411-K415 WeakPolarHBondContact O-CB 3.46Å; L411-K415 VanDerWaalsContact O-CG 3.3Å; L411-K415 WeakPolarHBondContact O-CG 2.89Å; L411-K415 PolarHBondContact O-N 3.12Å |
| 412 | N | 96.4 | Very high | 96.7 | Very high | 111 Ų | 111 | 106 Ų | 106 | 59% | 0.594 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.8 | -41 | 177.5 | -168.1 | 46.5 | 0 | 0 | 0 | 111.8 | E408 R409 K410 E414 K415 A416 | E408-N412 VanDerWaalsContact O-CB 3.24Å; E408-N412 WeakPolarHBondContact O-CB 3.37Å; E408-N412 PolarHBondContact O-N 3.47Å; R409-N412 PolarHBondContact O-N 2.98Å; K410-N412 VanDerWaalsContact C-N 3.31Å; K410-N412 PolarHBondContact O-N 3.38Å; N412-E414 VanDerWaalsContact C-N 3.33Å; N412-E414 PolarHBondContact O-N 2.92Å; N412-K415 PolarHBondContact O-N 3.36Å; N412-A416 WeakPolarHBondContact O-CB 3.36Å; N412-A416 PolarHBondContact O-N 3.42Å |
| 413 | S | 95.8 | Very high | 96.8 | Very high | 74 Ų | 74 | 104.9 Ų | 104.9 | 52% | 0.517 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64 | -38.3 | 174.9 | 69.6 | 0 | 0 | 0 | 0 | 112.2 | R409 K410 A416 F417 | R409-S413 WeakPolarHBondContact O-CB 3.26Å; R409-S413 PolarHBondContact O-N 3.31Å; R409-S413 PolarHBondContact O-OG 3.36Å; K410-S413 PolarHBondContact O-N 3.21Å; K410-S413 PolarHBondContact O-OG 3.49Å; S413-A416 PolarHBondContact O-N 2.91Å; S413-F417 WeakPolarHBondContact O-CB 3.46Å; S413-F417 PolarHBondContact O-N 3.3Å |
| 414 | E | 97.3 | Very high | 97 | Very high | 108 Ų | 108 | 104.4 Ų | 104.4 | 51% | 0.505 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.1 | -44.6 | 175.4 | -175.6 | 179.1 | -176.6 | 0 | 0 | 111.6 | K410 L411 N412 A416 F417 N418 | K410-E414 WeakPolarHBondContact O-CB 3.34Å; K410-E414 PolarHBondContact O-N 3.22Å; L411-E414 PolarHBondContact O-N 2.76Å; N412-E414 VanDerWaalsContact C-N 3.33Å; N412-E414 PolarHBondContact O-N 2.92Å; E414-A416 PolarHBondContact O-N 2.99Å; E414-F417 PolarHBondContact O-N 2.9Å; E414-N418 WeakPolarHBondContact O-CB 3.35Å; E414-N418 PolarHBondContact O-N 3.23Å; E414-N418 PolarHBondContact O-ND2 3.5Å |
| 415 | K | 97.9 | Very high | 97 | Very high | 137 Ų | 137 | 103 Ų | 103 | 60% | 0.596 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.5 | -46.3 | 173.5 | -74.7 | 175 | -177.3 | 179.8 | 0 | 111.7 | L411 N412 F417 N418 V419 | L411-K415 WeakPolarHBondContact O-CB 3.46Å; L411-K415 VanDerWaalsContact O-CG 3.3Å; L411-K415 WeakPolarHBondContact O-CG 2.89Å; L411-K415 PolarHBondContact O-N 3.12Å; N412-K415 PolarHBondContact O-N 3.36Å; K415-F417 VanDerWaalsContact C-N 3.33Å; K415-F417 PolarHBondContact O-N 3.39Å; K415-N418 PolarHBondContact O-N 2.95Å; K415-V419 WeakPolarHBondContact O-CG2 3.35Å; K415-V419 PolarHBondContact O-N 3.39Å |
| 416 | A | 97.7 | Very high | 97.1 | Very high | 58 Ų | 58 | 105.4 Ų | 105.4 | 48% | 0.479 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | N412 S413 E414 V419 W420 | N412-A416 WeakPolarHBondContact O-CB 3.36Å; N412-A416 PolarHBondContact O-N 3.42Å; S413-A416 PolarHBondContact O-N 2.91Å; E414-A416 PolarHBondContact O-N 2.99Å; A416-V419 PolarHBondContact O-N 3.03Å; A416-W420 WeakPolarHBondContact O-CB 3.33Å; A416-W420 PolarHBondContact O-N 2.82Å |
| 417 | F | 97.6 | Very high | 97.1 | Very high | 114 Ų | 114 | 104.2 Ų | 104.2 | 50% | 0.5 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 175.4 | -179.8 | -103.6 | 0 | 0 | 0 | 112.1 | S413 E414 K415 W420 K421 | S413-F417 WeakPolarHBondContact O-CB 3.46Å; S413-F417 PolarHBondContact O-N 3.3Å; E414-F417 PolarHBondContact O-N 2.9Å; K415-F417 VanDerWaalsContact C-N 3.33Å; K415-F417 PolarHBondContact O-N 3.39Å; F417-W420 HydrophobicContact CD2-CE3 4.21Å; F417-W420 HydrophobicContact CE2-CE3 4.06Å; F417-W420 AromaticContact CE2-CZ3 3.98Å; F417-W420 HydrophobicContact CE2-CZ3 3.98Å; F417-W420 PolarHBondContact O-N 3.24Å; F417-K421 WeakPolarHBondContact O-CB 3.42Å; F417-K421 PolarHBondContact O-N 3.22Å |
| 418 | N | 97.8 | Very high | 97.2 | Very high | 84 Ų | 84 | 103 Ų | 103 | 45% | 0.449 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.8 | -40.1 | 178 | -73.1 | -28 | 0 | 0 | 0 | 112.4 | E414 K415 K421 A422 | E414-N418 WeakPolarHBondContact O-CB 3.35Å; E414-N418 PolarHBondContact O-N 3.23Å; E414-N418 PolarHBondContact O-ND2 3.5Å; K415-N418 PolarHBondContact O-N 2.95Å; N418-K421 PolarHBondContact O-N 3.46Å; N418-A422 WeakPolarHBondContact O-CB 3.31Å; N418-A422 PolarHBondContact O-N 2.97Å |
| 419 | V | 98.1 | Very high | 97.2 | Very high | 104 Ų | 104 | 101.3 Ų | 101.3 | 63% | 0.63 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.3 | -45 | 173.7 | 171.3 | 0 | 0 | 0 | 0 | 111 | K415 A416 K421 A422 H423 | K415-V419 WeakPolarHBondContact O-CG2 3.35Å; K415-V419 PolarHBondContact O-N 3.39Å; A416-V419 PolarHBondContact O-N 3.03Å; V419-K421 PolarHBondContact O-N 3.26Å; V419-A422 PolarHBondContact O-N 2.97Å; V419-H423 WeakPolarHBondContact O-CB 3.26Å; V419-H423 PolarHBondContact O-N 3.35Å |
| 420 | W | 98.3 | Very high | 97.4 | Very high | 143 Ų | 143 | 100.3 Ų | 100.3 | 54% | 0.542 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 176.8 | 175.2 | 84.6 | 0 | 0 | 0 | 112 | A416 F417 H423 K424 | A416-W420 WeakPolarHBondContact O-CB 3.33Å; A416-W420 PolarHBondContact O-N 2.82Å; F417-W420 HydrophobicContact CD2-CE3 4.21Å; F417-W420 HydrophobicContact CE2-CE3 4.06Å; F417-W420 AromaticContact CE2-CZ3 3.98Å; F417-W420 HydrophobicContact CE2-CZ3 3.98Å; F417-W420 PolarHBondContact O-N 3.24Å; W420-H423 PolarHBondContact O-N 3.16Å; W420-K424 HydrophobicContact CD2-CG 4.19Å; W420-K424 HydrophobicContact CH2-CG 4.43Å; W420-K424 HydrophobicContact CZ2-CD 4.46Å; W420-K424 HydrophobicContact CZ2-CG 4Å; W420-K424 WeakPolarHBondContact O-CG 3.39Å; W420-K424 PolarHBondContact O-N 3.28Å |
| 421 | K | 98.1 | Very high | 97.4 | Very high | 105 Ų | 105 | 100.9 Ų | 100.9 | 46% | 0.457 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.9 | -49.3 | 176.9 | -173.9 | -178.7 | 177.6 | -174.9 | 0 | 111.2 | F417 N418 V419 H423 K424 D425 | F417-K421 WeakPolarHBondContact O-CB 3.42Å; F417-K421 PolarHBondContact O-N 3.22Å; N418-K421 PolarHBondContact O-N 3.46Å; V419-K421 PolarHBondContact O-N 3.26Å; K421-H423 VanDerWaalsContact C-N 3.31Å; K421-H423 PolarHBondContact O-N 3.26Å; K421-K424 WeakPolarHBondContact O-CB 3.32Å; K421-K424 PolarHBondContact O-N 3.46Å; K421-K424 VanDerWaalsContact O-N 3.08Å; K421-D425 PolarHBondContact O-N 3.04Å |
| 422 | A | 97.9 | Very high | 97.5 | Very high | 57 Ų | 57 | 101.5 Ų | 101.5 | 47% | 0.471 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.3 | -41.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | N418 V419 D425 E426 | N418-A422 WeakPolarHBondContact O-CB 3.31Å; N418-A422 PolarHBondContact O-N 2.97Å; V419-A422 PolarHBondContact O-N 2.97Å; A422-D425 PolarHBondContact O-N 2.9Å; A422-E426 WeakPolarHBondContact O-CB 3.5Å; A422-E426 PolarHBondContact O-N 2.9Å |
| 423 | H | 98 | Very high | 97.5 | Very high | 118 Ų | 118 | 104.1 Ų | 104.1 | 55% | 0.546 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.8 | -39 | 175.4 | 176.1 | -87 | 0 | 0 | 0 | 112.5 | V419 W420 K421 S427 | V419-H423 WeakPolarHBondContact O-CB 3.26Å; V419-H423 PolarHBondContact O-N 3.35Å; W420-H423 PolarHBondContact O-N 3.16Å; K421-H423 VanDerWaalsContact C-N 3.31Å; K421-H423 PolarHBondContact O-N 3.26Å; H423-S427 VanDerWaalsContact O-CB 3.32Å; H423-S427 WeakPolarHBondContact O-CB 3.44Å; H423-S427 PolarHBondContact O-N 3.42Å |
| 424 | K | 97.9 | Very high | 97.6 | Very high | 98 Ų | 98 | 104.2 Ų | 104.2 | 43% | 0.426 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.6 | -45.3 | 175.1 | -73.5 | -66.3 | -175.5 | 179.2 | 0 | 111.6 | W420 K421 S427 I428 | W420-K424 HydrophobicContact CD2-CG 4.19Å; W420-K424 HydrophobicContact CH2-CG 4.43Å; W420-K424 HydrophobicContact CZ2-CD 4.46Å; W420-K424 HydrophobicContact CZ2-CG 4Å; W420-K424 WeakPolarHBondContact O-CG 3.39Å; W420-K424 PolarHBondContact O-N 3.28Å; K421-K424 WeakPolarHBondContact O-CB 3.32Å; K421-K424 PolarHBondContact O-N 3.46Å; K421-K424 VanDerWaalsContact O-N 3.08Å; K424-S427 WeakPolarHBondContact O-CB 3.33Å; K424-S427 PolarHBondContact O-N 3.49Å; K424-I428 WeakPolarHBondContact O-CG1 3.34Å; K424-I428 PolarHBondContact O-N 2.82Å |
| 425 | D | 97.6 | Very high | 97.6 | Very high | 75 Ų | 75 | 105 Ų | 105 | 40% | 0.401 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 177.1 | -68.1 | -18.5 | 0 | 0 | 0 | 111 | K421 A422 S427 I428 I429 | K421-D425 PolarHBondContact O-N 3.04Å; A422-D425 PolarHBondContact O-N 2.9Å; D425-S427 VanDerWaalsContact C-N 3.34Å; D425-S427 PolarHBondContact O-N 3.11Å; D425-I428 PolarHBondContact O-N 3.42Å; D425-I429 VanDerWaalsContact O-CG1 3.26Å; D425-I429 WeakPolarHBondContact O-CG1 3.36Å; D425-I429 PolarHBondContact O-N 2.95Å |
| 426 | E | 97 | Very high | 97.6 | Very high | 136 Ų | 136 | 102.6 Ų | 102.6 | 64% | 0.636 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.9 | -40.4 | 175.2 | -175.6 | 172.1 | -158.3 | 0 | 0 | 112.1 | A422 I428 I429 K430 | A422-E426 WeakPolarHBondContact O-CB 3.5Å; A422-E426 PolarHBondContact O-N 2.9Å; E426-I428 PolarHBondContact O-N 3.47Å; E426-I429 PolarHBondContact O-N 2.95Å; E426-K430 VanDerWaalsContact O-CB 3.31Å; E426-K430 WeakPolarHBondContact O-CB 3.41Å; E426-K430 PolarHBondContact O-N 3.36Å |
| 427 | S | 97.6 | Very high | 97.5 | Very high | 50 Ų | 50 | 102.8 Ų | 102.8 | 35% | 0.35 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 175.5 | -173.5 | 0 | 0 | 0 | 0 | 111.9 | H423 K424 D425 K430 Q431 | H423-S427 VanDerWaalsContact O-CB 3.32Å; H423-S427 WeakPolarHBondContact O-CB 3.44Å; H423-S427 PolarHBondContact O-N 3.42Å; K424-S427 WeakPolarHBondContact O-CB 3.33Å; K424-S427 PolarHBondContact O-N 3.49Å; D425-S427 VanDerWaalsContact C-N 3.34Å; D425-S427 PolarHBondContact O-N 3.11Å; S427-K430 PolarHBondContact O-N 3.37Å; S427-Q431 WeakPolarHBondContact O-CG 3.48Å; S427-Q431 PolarHBondContact O-N 3.34Å |
| 428 | I | 96.8 | Very high | 97.5 | Very high | 103 Ų | 103 | 104.3 Ų | 104.3 | 53% | 0.528 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.7 | -46.4 | 176.5 | -66.7 | 165.6 | 0 | 0 | 0 | 110.5 | K424 D425 E426 K430 Q431 H432 | K424-I428 WeakPolarHBondContact O-CG1 3.34Å; K424-I428 PolarHBondContact O-N 2.82Å; D425-I428 PolarHBondContact O-N 3.42Å; E426-I428 PolarHBondContact O-N 3.47Å; I428-K430 VanDerWaalsContact C-N 3.31Å; I428-K430 PolarHBondContact O-N 2.88Å; I428-Q431 PolarHBondContact O-N 3.29Å; I428-H432 PolarHBondContact O-N 2.99Å |
| 429 | I | 97.5 | Very high | 97.4 | Very high | 84 Ų | 84 | 103.5 Ų | 103.5 | 43% | 0.431 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.4 | -43.6 | 177.5 | -69.3 | 165.5 | 0 | 0 | 0 | 110.6 | D425 E426 H432 R433 | D425-I429 VanDerWaalsContact O-CG1 3.26Å; D425-I429 WeakPolarHBondContact O-CG1 3.36Å; D425-I429 PolarHBondContact O-N 2.95Å; E426-I429 PolarHBondContact O-N 2.95Å; I429-H432 PolarHBondContact O-N 2.93Å; I429-R433 HydrophobicContact CG2-CG 4.49Å; I429-R433 WeakPolarHBondContact O-CG 3.35Å; I429-R433 PolarHBondContact O-N 3.41Å |
| 430 | K | 97.6 | Very high | 97.3 | Very high | 135 Ų | 135 | 104.7 Ų | 104.7 | 59% | 0.587 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.7 | -46.1 | 177.5 | -175.5 | 175 | 179.1 | -179.5 | 0 | 111.6 | E426 S427 I428 H432 R433 D434 | E426-K430 VanDerWaalsContact O-CB 3.31Å; E426-K430 WeakPolarHBondContact O-CB 3.41Å; E426-K430 PolarHBondContact O-N 3.36Å; S427-K430 PolarHBondContact O-N 3.37Å; I428-K430 VanDerWaalsContact C-N 3.31Å; I428-K430 PolarHBondContact O-N 2.88Å; K430-H432 VanDerWaalsContact C-N 3.3Å; K430-H432 PolarHBondContact O-N 3.23Å; K430-R433 PolarHBondContact O-N 2.95Å; K430-D434 WeakPolarHBondContact O-CB 3.37Å; K430-D434 VanDerWaalsContact O-CG 3.32Å; K430-D434 PolarHBondContact O-N 3.39Å |
| 431 | Q | 97.1 | Very high | 97.2 | Very high | 127 Ų | 127 | 105.4 Ų | 105.4 | 59% | 0.593 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -58.2 | -42.5 | 175.5 | -76.5 | -178.2 | -11.4 | 0 | 0 | 112.1 | S427 I428 D434 Y435 | S427-Q431 WeakPolarHBondContact O-CG 3.48Å; S427-Q431 PolarHBondContact O-N 3.34Å; I428-Q431 PolarHBondContact O-N 3.29Å; Q431-D434 PolarHBondContact O-N 3.13Å; Q431-Y435 WeakPolarHBondContact O-CB 3.36Å; Q431-Y435 PolarHBondContact O-N 3.38Å |
| 432 | H | 97 | Very high | 97.1 | Very high | 110 Ų | 110 | 105.4 Ų | 105.4 | 51% | 0.509 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.7 | -43.5 | 176.9 | -176.7 | -98.7 | 0 | 0 | 0 | 112.2 | I428 I429 K430 D434 Y435 L436 | I428-H432 PolarHBondContact O-N 2.99Å; I429-H432 PolarHBondContact O-N 2.93Å; K430-H432 VanDerWaalsContact C-N 3.3Å; K430-H432 PolarHBondContact O-N 3.23Å; H432-D434 PolarHBondContact O-N 3.48Å; H432-Y435 WeakPolarHBondContact O-CB 3.4Å; H432-Y435 PolarHBondContact O-N 2.9Å; H432-L436 VanDerWaalsContact CE1-CD1 3.42Å; H432-L436 WeakPolarHBondContact CE1-CD1 3.48Å; H432-L436 PolarHBondContact O-N 3.24Å |
| 433 | R | 97.4 | Very high | 97 | Very high | 166 Ų | 166 | 109.3 Ų | 109.3 | 63% | 0.626 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.7 | -43.1 | 174.5 | -74.2 | 176.3 | -178.1 | 173.6 | 2.8 | 112.1 | I429 K430 Y435 L436 S437 | I429-R433 HydrophobicContact CG2-CG 4.49Å; I429-R433 WeakPolarHBondContact O-CG 3.35Å; I429-R433 PolarHBondContact O-N 3.41Å; K430-R433 PolarHBondContact O-N 2.95Å; R433-Y435 VanDerWaalsContact C-N 3.34Å; R433-L436 PolarHBondContact O-N 3.41Å; R433-S437 WeakPolarHBondContact O-CB 3.27Å; R433-S437 PolarHBondContact O-N 2.97Å; R433-S437 PolarHBondContact O-OG 3Å |
| 434 | D | 97.6 | Very high | 96.9 | Very high | 76 Ų | 76 | 108 Ų | 108 | 41% | 0.406 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.7 | -34.9 | 177.8 | -71.3 | -17.5 | 0 | 0 | 0 | 111.9 | K430 Q431 H432 R438 | K430-D434 WeakPolarHBondContact O-CB 3.37Å; K430-D434 VanDerWaalsContact O-CG 3.32Å; K430-D434 PolarHBondContact O-N 3.39Å; Q431-D434 PolarHBondContact O-N 3.13Å; H432-D434 PolarHBondContact O-N 3.48Å; D434-R438 WeakPolarHBondContact O-CB 3.49Å; D434-R438 WeakPolarHBondContact O-CG 3.43Å; D434-R438 PolarHBondContact O-N 2.93Å; D434-R438 PolarHBondContact O-NE 3.5Å |
| 435 | Y | 97.4 | Very high | 96.8 | Very high | 124 Ų | 124 | 106.6 Ų | 106.6 | 49% | 0.486 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.6 | -50.1 | 173.4 | 174.4 | -102.3 | 0 | 0 | 0 | 111.7 | Q431 H432 R433 S437 R438 Q439 | Q431-Y435 WeakPolarHBondContact O-CB 3.36Å; Q431-Y435 PolarHBondContact O-N 3.38Å; H432-Y435 WeakPolarHBondContact O-CB 3.4Å; H432-Y435 PolarHBondContact O-N 2.9Å; R433-Y435 VanDerWaalsContact C-N 3.34Å; Y435-S437 VanDerWaalsContact C-N 3.32Å; Y435-S437 PolarHBondContact O-N 2.98Å; Y435-R438 PolarHBondContact O-N 3.11Å; Y435-Q439 HydrophobicContact CE1-CG 4.32Å; Y435-Q439 PolarHBondContact O-N 3.42Å; Y435-Q439 PolarHBondContact OH-NE2 2.85Å |
| 436 | L | 97.4 | Very high | 96.7 | Very high | 88 Ų | 88 | 108.1 Ų | 108.1 | 46% | 0.461 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61 | -40.7 | 176.2 | -71.6 | 179.7 | 0 | 0 | 0 | 112.1 | H432 R433 R438 Q439 K440 | H432-L436 VanDerWaalsContact CE1-CD1 3.42Å; H432-L436 WeakPolarHBondContact CE1-CD1 3.48Å; H432-L436 PolarHBondContact O-N 3.24Å; R433-L436 PolarHBondContact O-N 3.41Å; L436-R438 VanDerWaalsContact C-N 3.34Å; L436-R438 PolarHBondContact O-N 3.49Å; L436-Q439 PolarHBondContact O-N 3.49Å; L436-K440 PolarHBondContact O-N 2.88Å |
| 437 | S | 96.8 | Very high | 96.7 | Very high | 62 Ų | 62 | 107.4 Ų | 107.4 | 43% | 0.434 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.3 | -33.9 | 177.9 | -58.3 | 0 | 0 | 0 | 0 | 112.4 | R433 Y435 R441 | R433-S437 WeakPolarHBondContact O-CB 3.27Å; R433-S437 PolarHBondContact O-N 2.97Å; R433-S437 PolarHBondContact O-OG 3Å; Y435-S437 VanDerWaalsContact C-N 3.32Å; Y435-S437 PolarHBondContact O-N 2.98Å; S437-R441 WeakPolarHBondContact O-CG 3.36Å; S437-R441 PolarHBondContact O-N 3.29Å; S437-R441 PolarHBondContact O-NE 2.86Å |
| 438 | R | 96.7 | Very high | 96.5 | Very high | 145 Ų | 145 | 108.5 Ų | 108.5 | 55% | 0.547 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.3 | -46.3 | 171.5 | -82.1 | -178.4 | -77.1 | -180 | -3.2 | 111.6 | D434 Y435 L436 K440 R441 E442 | D434-R438 WeakPolarHBondContact O-CB 3.49Å; D434-R438 WeakPolarHBondContact O-CG 3.43Å; D434-R438 PolarHBondContact O-N 2.93Å; D434-R438 PolarHBondContact O-NE 3.5Å; Y435-R438 PolarHBondContact O-N 3.11Å; L436-R438 VanDerWaalsContact C-N 3.34Å; L436-R438 PolarHBondContact O-N 3.49Å; R438-K440 VanDerWaalsContact C-N 3.31Å; R438-K440 PolarHBondContact O-N 3.42Å; R438-R441 PolarHBondContact O-N 3.07Å; R438-E442 WeakPolarHBondContact O-CB 3.24Å; R438-E442 PolarHBondContact O-N 3.46Å |
| 439 | Q | 95.7 | Very high | 96.4 | Very high | 67 Ų | 67 | 108 Ų | 108 | 31% | 0.313 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58 | -42.8 | 175.7 | -85.7 | -147.1 | 37.9 | 0 | 0 | 112.5 | Y435 L436 E442 K443 | Y435-Q439 HydrophobicContact CE1-CG 4.32Å; Y435-Q439 PolarHBondContact O-N 3.42Å; Y435-Q439 PolarHBondContact OH-NE2 2.85Å; L436-Q439 PolarHBondContact O-N 3.49Å; Q439-E442 PolarHBondContact O-N 3.28Å; Q439-K443 WeakPolarHBondContact O-CG 3.24Å; Q439-K443 PolarHBondContact O-N 3.01Å |
| 440 | K | 97.1 | Very high | 96.3 | Very high | 130 Ų | 130 | 109.7 Ų | 109.7 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.9 | -49.3 | 177.7 | -176.2 | 174.9 | 172.1 | 178.7 | 0 | 111.5 | L436 R438 E442 K443 E444 | L436-K440 PolarHBondContact O-N 2.88Å; R438-K440 VanDerWaalsContact C-N 3.31Å; R438-K440 PolarHBondContact O-N 3.42Å; K440-E442 VanDerWaalsContact C-N 3.31Å; K440-E442 PolarHBondContact O-N 3.03Å; K440-K443 PolarHBondContact O-N 3.04Å; K440-E444 WeakPolarHBondContact CE-OE1 3.41Å; K440-E444 IonicContact NZ-OE1 2.67Å; K440-E444 WeakPolarHBondContact O-CG 3.38Å; K440-E444 PolarHBondContact O-N 3.41Å |
| 441 | R | 95.6 | Very high | 96.3 | Very high | 157 Ų | 157 | 107.1 Ų | 107.1 | 59% | 0.592 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.9 | -37.9 | 176.4 | -76.7 | -174.3 | -70.1 | 156.9 | -7 | 112.9 | S437 R438 S445 | S437-R441 WeakPolarHBondContact O-CG 3.36Å; S437-R441 PolarHBondContact O-N 3.29Å; S437-R441 PolarHBondContact O-NE 2.86Å; R438-R441 PolarHBondContact O-N 3.07Å; R441-S445 VanDerWaalsContact O-CB 3.26Å; R441-S445 WeakPolarHBondContact O-CB 3.3Å; R441-S445 PolarHBondContact O-N 3.13Å |
| 442 | E | 96.1 | Very high | 96.2 | Very high | 106 Ų | 106 | 107 Ų | 107 | 50% | 0.495 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.9 | -39.7 | 177.5 | -166.4 | -173.5 | 156.7 | 0 | 0 | 111.7 | R438 Q439 K440 K446 | R438-E442 WeakPolarHBondContact O-CB 3.24Å; R438-E442 PolarHBondContact O-N 3.46Å; Q439-E442 PolarHBondContact O-N 3.28Å; K440-E442 VanDerWaalsContact C-N 3.31Å; K440-E442 PolarHBondContact O-N 3.03Å; E442-K446 HydrophobicContact CG-CD 4.36Å; E442-K446 WeakPolarHBondContact O-CB 3.46Å; E442-K446 VanDerWaalsContact O-CG 3.3Å; E442-K446 WeakPolarHBondContact O-CG 3.31Å; E442-K446 PolarHBondContact O-N 3.17Å; E442-K446 WeakPolarHBondContact OE1-CE 3.49Å; E442-K446 IonicContact OE1-NZ 2.65Å; E442-K446 PolarHBondContact OE1-NZ 3.39Å |
| 443 | K | 96.1 | Very high | 96.2 | Very high | 138 Ų | 138 | 107.5 Ų | 107.5 | 60% | 0.6 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.1 | -47.8 | 173.5 | -74 | 179 | -178.4 | -178.5 | 0 | 111.6 | Q439 K440 S445 K446 E447 | Q439-K443 WeakPolarHBondContact O-CG 3.24Å; Q439-K443 PolarHBondContact O-N 3.01Å; K440-K443 PolarHBondContact O-N 3.04Å; K443-S445 VanDerWaalsContact C-N 3.35Å; K443-S445 PolarHBondContact O-N 3.03Å; K443-K446 PolarHBondContact O-N 3.49Å; K443-E447 WeakPolarHBondContact O-CB 3.34Å; K443-E447 PolarHBondContact O-N 3.47Å |
| 444 | E | 96 | Very high | 96.1 | Very high | 90 Ų | 90 | 104.8 Ų | 104.8 | 42% | 0.421 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.7 | -44.7 | 176.6 | -72.7 | 169.6 | 177.1 | 0 | 0 | 111 | K440 K446 E447 T448 | K440-E444 WeakPolarHBondContact CE-OE1 3.41Å; K440-E444 IonicContact NZ-OE1 2.67Å; K440-E444 WeakPolarHBondContact O-CG 3.38Å; K440-E444 PolarHBondContact O-N 3.41Å; E444-K446 PolarHBondContact O-N 3.22Å; E444-E447 PolarHBondContact O-N 3.41Å; E444-T448 WeakPolarHBondContact O-CG2 3.46Å; E444-T448 PolarHBondContact O-N 3.37Å; E444-T448 PolarHBondContact O-OG1 2.89Å |
| 445 | S | 95.5 | Very high | 96.1 | Very high | 69 Ų | 69 | 108.1 Ų | 108.1 | 48% | 0.483 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.5 | -38.2 | 176.8 | -176.3 | 0 | 0 | 0 | 0 | 113 | R441 K443 T448 E449 | R441-S445 VanDerWaalsContact O-CB 3.26Å; R441-S445 WeakPolarHBondContact O-CB 3.3Å; R441-S445 PolarHBondContact O-N 3.13Å; K443-S445 VanDerWaalsContact C-N 3.35Å; K443-S445 PolarHBondContact O-N 3.03Å; S445-T448 WeakPolarHBondContact CA-OG1 3.35Å; S445-T448 PolarHBondContact O-OG1 2.98Å; S445-E449 WeakPolarHBondContact O-CB 3.49Å; S445-E449 PolarHBondContact O-N 3.41Å |
| 446 | K | 95.7 | Very high | 96.1 | Very high | 108 Ų | 108 | 107.2 Ų | 107.2 | 47% | 0.47 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68 | -39 | 175.6 | -78.5 | 169.8 | 171.7 | 167.8 | 0 | 111.3 | E442 K443 E444 Q450 | E442-K446 HydrophobicContact CG-CD 4.36Å; E442-K446 WeakPolarHBondContact O-CB 3.46Å; E442-K446 VanDerWaalsContact O-CG 3.3Å; E442-K446 WeakPolarHBondContact O-CG 3.31Å; E442-K446 PolarHBondContact O-N 3.17Å; E442-K446 WeakPolarHBondContact OE1-CE 3.49Å; E442-K446 IonicContact OE1-NZ 2.65Å; E442-K446 PolarHBondContact OE1-NZ 3.39Å; K443-K446 PolarHBondContact O-N 3.49Å; E444-K446 PolarHBondContact O-N 3.22Å; K446-Q450 WeakPolarHBondContact O-CB 3.5Å; K446-Q450 VanDerWaalsContact O-CG 3.3Å; K446-Q450 WeakPolarHBondContact O-CG 3.1Å; K446-Q450 PolarHBondContact O-N 2.91Å |
| 447 | E | 95.3 | Very high | 96 | Very high | 120 Ų | 120 | 106.9 Ų | 106.9 | 56% | 0.561 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.6 | -44.2 | 175.9 | -174.3 | 175.2 | -177.4 | 0 | 0 | 111.4 | K443 E444 Q450 N451 | K443-E447 WeakPolarHBondContact O-CB 3.34Å; K443-E447 PolarHBondContact O-N 3.47Å; E444-E447 PolarHBondContact O-N 3.41Å; E447-Q450 PolarHBondContact O-N 2.87Å; E447-N451 WeakPolarHBondContact O-CB 3.46Å; E447-N451 PolarHBondContact O-N 3.14Å; E447-N451 PolarHBondContact O-ND2 3.24Å |
| 448 | T | 94.2 | Very high | 96 | Very high | 73 Ų | 73 | 109.5 Ų | 109.5 | 45% | 0.448 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 175.8 | 57.1 | 0 | 0 | 0 | 0 | 111.9 | E444 S445 Q450 N451 E452 | E444-T448 WeakPolarHBondContact O-CG2 3.46Å; E444-T448 PolarHBondContact O-N 3.37Å; E444-T448 PolarHBondContact O-OG1 2.89Å; S445-T448 WeakPolarHBondContact CA-OG1 3.35Å; S445-T448 PolarHBondContact O-OG1 2.98Å; T448-Q450 VanDerWaalsContact C-N 3.34Å; T448-Q450 PolarHBondContact O-N 3.11Å; T448-N451 PolarHBondContact O-N 3.25Å; T448-E452 WeakPolarHBondContact O-CB 3.15Å; T448-E452 WeakPolarHBondContact O-CG 3.35Å; T448-E452 PolarHBondContact O-N 3.45Å |
| 449 | E | 95.7 | Very high | 96.1 | Very high | 92 Ų | 92 | 106.4 Ų | 106.4 | 43% | 0.43 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.3 | -38.4 | 176.6 | -168.5 | -169 | 162.8 | 0 | 0 | 111.6 | S445 K453 | S445-E449 WeakPolarHBondContact O-CB 3.49Å; S445-E449 PolarHBondContact O-N 3.41Å; E449-K453 WeakPolarHBondContact O-CB 3.42Å; E449-K453 VanDerWaalsContact O-CG 3.25Å; E449-K453 WeakPolarHBondContact O-CG 3.32Å; E449-K453 PolarHBondContact O-N 2.87Å; E449-K453 VanDerWaalsContact OE1-CE 3.23Å; E449-K453 WeakPolarHBondContact OE1-CE 3.46Å; E449-K453 IonicContact OE1-NZ 3.21Å; E449-K453 PolarHBondContact OE1-NZ 2.89Å |
| 450 | Q | 95.2 | Very high | 96.2 | Very high | 121 Ų | 121 | 106 Ų | 106 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.6 | -43 | 173.9 | -76.9 | -176.6 | 5.1 | 0 | 0 | 112 | K446 E447 T448 K453 Q454 | K446-Q450 WeakPolarHBondContact O-CB 3.5Å; K446-Q450 VanDerWaalsContact O-CG 3.3Å; K446-Q450 WeakPolarHBondContact O-CG 3.1Å; K446-Q450 PolarHBondContact O-N 2.91Å; E447-Q450 PolarHBondContact O-N 2.87Å; T448-Q450 VanDerWaalsContact C-N 3.34Å; T448-Q450 PolarHBondContact O-N 3.11Å; Q450-K453 PolarHBondContact O-N 3Å; Q450-Q454 WeakPolarHBondContact O-CB 3.24Å; Q450-Q454 WeakPolarHBondContact O-CG 3.42Å; Q450-Q454 PolarHBondContact O-N 3.18Å |
| 451 | N | 95.9 | Very high | 96.2 | Very high | 80 Ų | 80 | 105.6 Ų | 105.6 | 43% | 0.428 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 177.3 | -71.2 | -18 | 0 | 0 | 0 | 111.4 | E447 T448 Q454 Y455 | E447-N451 WeakPolarHBondContact O-CB 3.46Å; E447-N451 PolarHBondContact O-N 3.14Å; E447-N451 PolarHBondContact O-ND2 3.24Å; T448-N451 PolarHBondContact O-N 3.25Å; N451-Q454 PolarHBondContact O-N 2.93Å; N451-Y455 VanDerWaalsContact O-CB 3.32Å; N451-Y455 WeakPolarHBondContact O-CB 3.4Å; N451-Y455 PolarHBondContact O-N 2.86Å |
| 452 | E | 95.9 | Very high | 96.3 | Very high | 124 Ų | 124 | 104.4 Ų | 104.4 | 58% | 0.579 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.5 | -44 | 173.4 | -75.6 | 176.7 | -171.2 | 0 | 0 | 111.6 | T448 Q454 Y455 L456 | T448-E452 WeakPolarHBondContact O-CB 3.15Å; T448-E452 WeakPolarHBondContact O-CG 3.35Å; T448-E452 PolarHBondContact O-N 3.45Å; E452-Q454 PolarHBondContact O-N 3.48Å; E452-Y455 PolarHBondContact O-N 3.25Å; E452-L456 WeakPolarHBondContact O-CB 3.35Å; E452-L456 VanDerWaalsContact O-CG 3.28Å; E452-L456 WeakPolarHBondContact O-CG 3.41Å; E452-L456 PolarHBondContact O-N 3.43Å |
| 453 | K | 96.2 | Very high | 96.4 | Very high | 122 Ų | 122 | 104.2 Ų | 104.2 | 53% | 0.53 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 174.6 | -76.9 | 172.5 | -175.2 | 168.3 | 0 | 112.1 | E449 Q450 S457 | E449-K453 WeakPolarHBondContact O-CB 3.42Å; E449-K453 VanDerWaalsContact O-CG 3.25Å; E449-K453 WeakPolarHBondContact O-CG 3.32Å; E449-K453 PolarHBondContact O-N 2.87Å; E449-K453 VanDerWaalsContact OE1-CE 3.23Å; E449-K453 WeakPolarHBondContact OE1-CE 3.46Å; E449-K453 IonicContact OE1-NZ 3.21Å; E449-K453 PolarHBondContact OE1-NZ 2.89Å; Q450-K453 PolarHBondContact O-N 3Å; K453-S457 VanDerWaalsContact O-CB 3.23Å; K453-S457 WeakPolarHBondContact O-CB 3.46Å; K453-S457 PolarHBondContact O-N 2.9Å |
| 454 | Q | 96.6 | Very high | 96.5 | Very high | 108 Ų | 108 | 104.5 Ų | 104.5 | 51% | 0.505 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.9 | -44.9 | 176.4 | -74.4 | -178.4 | 13.4 | 0 | 0 | 111.2 | Q450 N451 E452 S457 Q458 | Q450-Q454 WeakPolarHBondContact O-CB 3.24Å; Q450-Q454 WeakPolarHBondContact O-CG 3.42Å; Q450-Q454 PolarHBondContact O-N 3.18Å; N451-Q454 PolarHBondContact O-N 2.93Å; E452-Q454 PolarHBondContact O-N 3.48Å; Q454-S457 PolarHBondContact O-N 3.32Å; Q454-Q458 WeakPolarHBondContact O-CB 3.46Å; Q454-Q458 VanDerWaalsContact O-CG 3.31Å; Q454-Q458 WeakPolarHBondContact O-CG 3.26Å; Q454-Q458 PolarHBondContact O-N 3.21Å |
| 455 | Y | 96.7 | Very high | 96.6 | Very high | 147 Ų | 147 | 105.5 Ų | 105.5 | 58% | 0.576 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.6 | -49.7 | 176.7 | 177.5 | -96 | 0 | 0 | 0 | 111.4 | N451 E452 S457 Q458 Q459 | N451-Y455 VanDerWaalsContact O-CB 3.32Å; N451-Y455 WeakPolarHBondContact O-CB 3.4Å; N451-Y455 PolarHBondContact O-N 2.86Å; E452-Y455 PolarHBondContact O-N 3.25Å; Y455-S457 VanDerWaalsContact C-N 3.31Å; Y455-S457 PolarHBondContact O-N 3.4Å; Y455-Q458 PolarHBondContact O-N 2.86Å; Y455-Q459 WeakPolarHBondContact O-CB 3.25Å; Y455-Q459 PolarHBondContact O-N 3.38Å |
| 456 | L | 96.7 | Very high | 96.7 | Very high | 104 Ų | 104 | 105 Ų | 105 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.4 | -38.3 | 176.4 | -70.4 | 173.5 | 0 | 0 | 0 | 112.1 | E452 Q459 A460 | E452-L456 WeakPolarHBondContact O-CB 3.35Å; E452-L456 VanDerWaalsContact O-CG 3.28Å; E452-L456 WeakPolarHBondContact O-CG 3.41Å; E452-L456 PolarHBondContact O-N 3.43Å; L456-Q459 PolarHBondContact O-N 3.44Å; L456-A460 VanDerWaalsContact O-CB 3.3Å; L456-A460 WeakPolarHBondContact O-CB 3.45Å; L456-A460 PolarHBondContact O-N 2.92Å |
| 457 | S | 96.5 | Very high | 96.8 | Very high | 81 Ų | 81 | 107.5 Ų | 107.5 | 57% | 0.566 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.7 | -39.9 | 175.3 | -175.6 | 0 | 0 | 0 | 0 | 112.2 | K453 Q454 Y455 F461 | K453-S457 VanDerWaalsContact O-CB 3.23Å; K453-S457 WeakPolarHBondContact O-CB 3.46Å; K453-S457 PolarHBondContact O-N 2.9Å; Q454-S457 PolarHBondContact O-N 3.32Å; Y455-S457 VanDerWaalsContact C-N 3.31Å; Y455-S457 PolarHBondContact O-N 3.4Å; S457-F461 WeakPolarHBondContact O-CB 3.5Å; S457-F461 PolarHBondContact O-N 2.87Å; S457-F461 VanDerWaalsContact O-N 3.07Å |
| 458 | Q | 97.3 | Very high | 96.9 | Very high | 117 Ų | 117 | 107.4 Ų | 107.4 | 55% | 0.547 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66 | -46.9 | 175.5 | -74.3 | 174.7 | 21.4 | 0 | 0 | 110.5 | Q454 Y455 A460 F461 E462 | Q454-Q458 WeakPolarHBondContact O-CB 3.46Å; Q454-Q458 VanDerWaalsContact O-CG 3.31Å; Q454-Q458 WeakPolarHBondContact O-CG 3.26Å; Q454-Q458 PolarHBondContact O-N 3.21Å; Y455-Q458 PolarHBondContact O-N 2.86Å; Q458-A460 PolarHBondContact O-N 3.49Å; Q458-F461 WeakPolarHBondContact O-CA 3.46Å; Q458-F461 WeakPolarHBondContact O-CB 3.49Å; Q458-F461 PolarHBondContact O-N 3.42Å; Q458-F461 VanDerWaalsContact O-N 3.08Å; Q458-E462 PolarHBondContact O-N 3Å |
| 459 | Q | 97.5 | Very high | 97 | Very high | 81 Ų | 81 | 108 Ų | 108 | 38% | 0.379 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.3 | -46.6 | 176.5 | -173 | 175.1 | 11.7 | 0 | 0 | 111.6 | Y455 L456 F461 E462 D463 | Y455-Q459 WeakPolarHBondContact O-CB 3.25Å; Y455-Q459 PolarHBondContact O-N 3.38Å; L456-Q459 PolarHBondContact O-N 3.44Å; Q459-F461 VanDerWaalsContact C-N 3.26Å; Q459-F461 PolarHBondContact O-N 3.29Å; Q459-E462 PolarHBondContact O-N 3.38Å; Q459-D463 WeakPolarHBondContact O-CB 3.42Å; Q459-D463 PolarHBondContact O-N 2.94Å |
| 460 | A | 97.8 | Very high | 97.1 | Very high | 58 Ų | 58 | 106.4 Ų | 106.4 | 48% | 0.479 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.5 | -34.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L456 Q458 W464 | L456-A460 VanDerWaalsContact O-CB 3.3Å; L456-A460 WeakPolarHBondContact O-CB 3.45Å; L456-A460 PolarHBondContact O-N 2.92Å; Q458-A460 PolarHBondContact O-N 3.49Å; A460-W464 VanDerWaalsContact O-CB 3.29Å; A460-W464 WeakPolarHBondContact O-CB 3.46Å; A460-W464 PolarHBondContact O-N 2.95Å |
| 461 | F | 97.6 | Very high | 97.1 | Very high | 121 Ų | 121 | 103.1 Ų | 103.1 | 53% | 0.531 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.9 | -42.3 | 175.1 | 178.6 | -101.1 | 0 | 0 | 0 | 112.2 | S457 Q458 Q459 W464 K465 | S457-F461 WeakPolarHBondContact O-CB 3.5Å; S457-F461 PolarHBondContact O-N 2.87Å; S457-F461 VanDerWaalsContact O-N 3.07Å; Q458-F461 WeakPolarHBondContact O-CA 3.46Å; Q458-F461 WeakPolarHBondContact O-CB 3.49Å; Q458-F461 PolarHBondContact O-N 3.42Å; Q458-F461 VanDerWaalsContact O-N 3.08Å; Q459-F461 VanDerWaalsContact C-N 3.26Å; Q459-F461 PolarHBondContact O-N 3.29Å; F461-W464 HydrophobicContact CD2-CE3 4.22Å; F461-W464 HydrophobicContact CE2-CE3 4.08Å; F461-W464 HydrophobicContact CE2-CZ3 4.01Å; F461-W464 PolarHBondContact O-N 2.96Å; F461-K465 WeakPolarHBondContact O-CB 3.5Å; F461-K465 PolarHBondContact O-N 3.39Å |
| 462 | E | 97.6 | Very high | 97.1 | Very high | 132 Ų | 132 | 104.2 Ų | 104.2 | 62% | 0.617 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.4 | -44.7 | 175.3 | -70.7 | -171.3 | 164.3 | 0 | 0 | 111.8 | Q458 Q459 W464 K465 A466 | Q458-E462 PolarHBondContact O-N 3Å; Q459-E462 PolarHBondContact O-N 3.38Å; E462-W464 VanDerWaalsContact C-N 3.33Å; E462-W464 PolarHBondContact O-N 3.32Å; E462-K465 PolarHBondContact O-N 2.66Å; E462-A466 WeakPolarHBondContact O-CB 3.49Å; E462-A466 PolarHBondContact O-N 3.39Å |
| 463 | D | 97.9 | Very high | 97.2 | Very high | 103 Ų | 103 | 105 Ų | 105 | 55% | 0.551 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.4 | -43.2 | 175 | -76 | -18.1 | 0 | 0 | 0 | 111.4 | Q459 A466 K467 | Q459-D463 WeakPolarHBondContact O-CB 3.42Å; Q459-D463 PolarHBondContact O-N 2.94Å; D463-A466 PolarHBondContact O-N 2.93Å; D463-K467 WeakPolarHBondContact O-CB 3.38Å; D463-K467 PolarHBondContact O-N 2.94Å |
| 464 | W | 98.1 | Very high | 97.2 | Very high | 143 Ų | 143 | 105.3 Ų | 105.3 | 54% | 0.542 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 175.4 | 175.8 | 85.3 | 0 | 0 | 0 | 111.9 | A460 F461 E462 K467 K468 | A460-W464 VanDerWaalsContact O-CB 3.29Å; A460-W464 WeakPolarHBondContact O-CB 3.46Å; A460-W464 PolarHBondContact O-N 2.95Å; F461-W464 HydrophobicContact CD2-CE3 4.22Å; F461-W464 HydrophobicContact CE2-CE3 4.08Å; F461-W464 HydrophobicContact CE2-CZ3 4.01Å; F461-W464 PolarHBondContact O-N 2.96Å; E462-W464 VanDerWaalsContact C-N 3.33Å; E462-W464 PolarHBondContact O-N 3.32Å; W464-K467 PolarHBondContact O-N 3.36Å; W464-K468 HydrophobicContact CD2-CG 4.18Å; W464-K468 HydrophobicContact CH2-CG 4.4Å; W464-K468 HydrophobicContact CZ2-CD 4.42Å; W464-K468 HydrophobicContact CZ2-CG 3.98Å; W464-K468 WeakPolarHBondContact O-CG 3.48Å; W464-K468 PolarHBondContact O-N 3.35Å |
| 465 | K | 97.6 | Very high | 97.1 | Very high | 112 Ų | 112 | 102.9 Ų | 102.9 | 49% | 0.487 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.8 | -47.5 | 177.5 | -175 | -178.3 | 177.1 | -173.2 | 0 | 111 | F461 E462 K467 K468 D469 | F461-K465 WeakPolarHBondContact O-CB 3.5Å; F461-K465 PolarHBondContact O-N 3.39Å; E462-K465 PolarHBondContact O-N 2.66Å; K465-K467 VanDerWaalsContact C-N 3.29Å; K465-K467 PolarHBondContact O-N 3.43Å; K465-K468 PolarHBondContact O-N 3.49Å; K465-K468 VanDerWaalsContact O-N 3.1Å; K465-D469 PolarHBondContact O-N 2.79Å |
| 466 | A | 97.5 | Very high | 97 | Very high | 57 Ų | 57 | 99.4 Ų | 99.4 | 47% | 0.471 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58 | -41.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E462 D463 D469 A470 | E462-A466 WeakPolarHBondContact O-CB 3.49Å; E462-A466 PolarHBondContact O-N 3.39Å; D463-A466 PolarHBondContact O-N 2.93Å; A466-D469 PolarHBondContact O-N 3.36Å; A466-A470 VanDerWaalsContact O-CB 3.24Å; A466-A470 WeakPolarHBondContact O-CB 3.43Å; A466-A470 PolarHBondContact O-N 3.26Å |
| 467 | K | 97.8 | Very high | 97 | Very high | 161 Ų | 161 | 98.9 Ų | 98.9 | 70% | 0.7 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.5 | -41 | 175 | -173.5 | 175 | -177.2 | 174.2 | 0 | 112.4 | D463 W464 K465 A471 | D463-K467 WeakPolarHBondContact O-CB 3.38Å; D463-K467 PolarHBondContact O-N 2.94Å; W464-K467 PolarHBondContact O-N 3.36Å; K465-K467 VanDerWaalsContact C-N 3.29Å; K465-K467 PolarHBondContact O-N 3.43Å; K467-A471 WeakPolarHBondContact O-CB 3.3Å; K467-A471 PolarHBondContact O-N 2.96Å |
| 468 | K | 97.4 | Very high | 96.9 | Very high | 118 Ų | 118 | 98.4 Ų | 98.4 | 51% | 0.513 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.4 | -43.9 | 176.3 | -75.1 | -68.6 | -173.9 | 177.4 | 0 | 111.9 | W464 K465 A471 L472 | W464-K468 HydrophobicContact CD2-CG 4.18Å; W464-K468 HydrophobicContact CH2-CG 4.4Å; W464-K468 HydrophobicContact CZ2-CD 4.42Å; W464-K468 HydrophobicContact CZ2-CG 3.98Å; W464-K468 WeakPolarHBondContact O-CG 3.48Å; W464-K468 PolarHBondContact O-N 3.35Å; K465-K468 PolarHBondContact O-N 3.49Å; K465-K468 VanDerWaalsContact O-N 3.1Å; K468-A471 PolarHBondContact O-N 2.94Å; K468-L472 WeakPolarHBondContact O-CB 3.42Å; K468-L472 PolarHBondContact O-N 2.88Å |
| 469 | D | 97.1 | Very high | 96.8 | Very high | 87 Ų | 87 | 100 Ų | 100 | 47% | 0.465 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 177.1 | -72.1 | -18 | 0 | 0 | 0 | 111.4 | K465 A466 L472 K473 | K465-D469 PolarHBondContact O-N 2.79Å; A466-D469 PolarHBondContact O-N 3.36Å; D469-L472 PolarHBondContact O-N 2.87Å; D469-K473 WeakPolarHBondContact O-CB 3.35Å; D469-K473 PolarHBondContact O-N 3.45Å |
| 470 | A | 97 | Very high | 96.6 | Very high | 57 Ų | 57 | 104.3 Ų | 104.3 | 47% | 0.471 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A466 L472 K473 Q474 | A466-A470 VanDerWaalsContact O-CB 3.24Å; A466-A470 WeakPolarHBondContact O-CB 3.43Å; A466-A470 PolarHBondContact O-N 3.26Å; A470-L472 PolarHBondContact O-N 3.36Å; A470-K473 PolarHBondContact O-N 2.83Å; A470-Q474 WeakPolarHBondContact O-CB 3.37Å; A470-Q474 PolarHBondContact O-N 3.15Å |
| 471 | A | 96.8 | Very high | 96.5 | Very high | 52 Ų | 52 | 108.5 Ų | 108.5 | 43% | 0.43 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.7 | -40 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K467 K468 Q474 S475 | K467-A471 WeakPolarHBondContact O-CB 3.3Å; K467-A471 PolarHBondContact O-N 2.96Å; K468-A471 PolarHBondContact O-N 2.94Å; A471-Q474 PolarHBondContact O-N 3.49Å; A471-S475 WeakPolarHBondContact O-CB 3.41Å; A471-S475 PolarHBondContact O-N 2.85Å |
| 472 | L | 96.3 | Very high | 96.2 | Very high | 104 Ų | 104 | 108 Ų | 108 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.5 | -46.3 | 175.4 | -179 | 61.7 | 0 | 0 | 0 | 111.2 | K468 D469 A470 Q474 S475 I476 | K468-L472 WeakPolarHBondContact O-CB 3.42Å; K468-L472 PolarHBondContact O-N 2.88Å; D469-L472 PolarHBondContact O-N 2.87Å; A470-L472 PolarHBondContact O-N 3.36Å; L472-Q474 VanDerWaalsContact C-N 3.31Å; L472-Q474 PolarHBondContact O-N 3.49Å; L472-S475 WeakPolarHBondContact O-CB 3.41Å; L472-S475 PolarHBondContact O-N 3.36Å; L472-I476 HydrophobicContact CD1-CD1 4.38Å; L472-I476 HydrophobicContact CG-CD1 4.17Å; L472-I476 WeakPolarHBondContact O-CG1 3.37Å; L472-I476 PolarHBondContact O-N 2.97Å |
| 473 | K | 97.1 | Very high | 95.9 | Very high | 139 Ų | 139 | 107.2 Ų | 107.2 | 60% | 0.604 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.1 | -42 | 175.9 | -171.4 | 174.6 | -178.1 | 178 | 0 | 111.3 | D469 A470 I476 Q477 | D469-K473 WeakPolarHBondContact O-CB 3.35Å; D469-K473 PolarHBondContact O-N 3.45Å; A470-K473 PolarHBondContact O-N 2.83Å; K473-I476 PolarHBondContact O-N 2.99Å; K473-Q477 WeakPolarHBondContact O-CB 3.35Å; K473-Q477 WeakPolarHBondContact O-CG 3.49Å; K473-Q477 PolarHBondContact O-N 3.48Å |
| 474 | Q | 96.2 | Very high | 95.6 | Very high | 129 Ų | 129 | 106.2 Ų | 106.2 | 60% | 0.603 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.3 | -41.5 | 175.9 | -160.2 | -177.6 | 15 | 0 | 0 | 111.4 | A470 A471 L472 Q477 S478 | A470-Q474 WeakPolarHBondContact O-CB 3.37Å; A470-Q474 PolarHBondContact O-N 3.15Å; A471-Q474 PolarHBondContact O-N 3.49Å; L472-Q474 VanDerWaalsContact C-N 3.31Å; L472-Q474 PolarHBondContact O-N 3.49Å; Q474-Q477 PolarHBondContact O-N 2.9Å; Q474-S478 WeakPolarHBondContact O-CB 3.34Å; Q474-S478 PolarHBondContact O-N 3.21Å; Q474-S478 PolarHBondContact O-OG 3.29Å; Q474-S478 VanDerWaalsContact O-OG 3.05Å |
| 475 | S | 95.1 | Very high | 95.4 | Very high | 57 Ų | 57 | 103.7 Ų | 103.7 | 40% | 0.399 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 175.1 | -173 | 0 | 0 | 0 | 0 | 112.2 | A471 L472 S478 K479 | A471-S475 WeakPolarHBondContact O-CB 3.41Å; A471-S475 PolarHBondContact O-N 2.85Å; L472-S475 WeakPolarHBondContact O-CB 3.41Å; L472-S475 PolarHBondContact O-N 3.36Å; S475-S478 PolarHBondContact O-N 2.92Å; S475-K479 WeakPolarHBondContact O-CG 3.3Å; S475-K479 PolarHBondContact O-N 3.48Å |
| 476 | I | 95 | Very high | 95.1 | Very high | 74 Ų | 74 | 103.2 Ų | 103.2 | 38% | 0.379 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.5 | -44.9 | 176.3 | -66.8 | 167.6 | 0 | 0 | 0 | 110.7 | L472 K473 K479 R480 | L472-I476 HydrophobicContact CD1-CD1 4.38Å; L472-I476 HydrophobicContact CG-CD1 4.17Å; L472-I476 WeakPolarHBondContact O-CG1 3.37Å; L472-I476 PolarHBondContact O-N 2.97Å; K473-I476 PolarHBondContact O-N 2.99Å; I476-K479 PolarHBondContact O-N 3.45Å; I476-R480 WeakPolarHBondContact O-CG 3.41Å; I476-R480 PolarHBondContact O-N 2.89Å |
| 477 | Q | 95.9 | Very high | 94.6 | Very high | 94 Ų | 94 | 106.2 Ų | 106.2 | 44% | 0.439 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62 | -43.8 | 177.1 | -76.6 | -178.1 | -2.7 | 0 | 0 | 111.9 | K473 Q474 K479 R480 K481 | K473-Q477 WeakPolarHBondContact O-CB 3.35Å; K473-Q477 WeakPolarHBondContact O-CG 3.49Å; K473-Q477 PolarHBondContact O-N 3.48Å; Q474-Q477 PolarHBondContact O-N 2.9Å; Q477-K479 PolarHBondContact O-N 3.45Å; Q477-R480 PolarHBondContact O-N 3.35Å; Q477-K481 WeakPolarHBondContact O-CB 3.27Å; Q477-K481 WeakPolarHBondContact O-CG 3.37Å; Q477-K481 PolarHBondContact O-N 3.28Å |
| 478 | S | 94.3 | Very high | 94.4 | Very high | 70 Ų | 70 | 103.8 Ų | 103.8 | 49% | 0.49 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 176 | -65.1 | 0 | 0 | 0 | 0 | 112.1 | Q474 S475 K481 H482 | Q474-S478 WeakPolarHBondContact O-CB 3.34Å; Q474-S478 PolarHBondContact O-N 3.21Å; Q474-S478 PolarHBondContact O-OG 3.29Å; Q474-S478 VanDerWaalsContact O-OG 3.05Å; S475-S478 PolarHBondContact O-N 2.92Å; S478-K481 PolarHBondContact O-N 2.95Å; S478-H482 WeakPolarHBondContact O-CB 3.39Å; S478-H482 PolarHBondContact O-N 3.08Å |
| 479 | K | 94.8 | Very high | 94.1 | Very high | 150 Ų | 150 | 103.2 Ų | 103.2 | 65% | 0.652 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.3 | -43.4 | 173.7 | -75.4 | -179.4 | 179.7 | -177.7 | 0 | 112.3 | S475 I476 Q477 H482 Q483 | S475-K479 WeakPolarHBondContact O-CG 3.3Å; S475-K479 PolarHBondContact O-N 3.48Å; I476-K479 PolarHBondContact O-N 3.45Å; Q477-K479 PolarHBondContact O-N 3.45Å; K479-H482 PolarHBondContact O-N 2.8Å; K479-Q483 WeakPolarHBondContact O-CB 3.3Å; K479-Q483 PolarHBondContact O-N 3.45Å |
| 480 | R | 94.1 | Very high | 93.7 | Very high | 173 Ų | 173 | 105.1 Ų | 105.1 | 65% | 0.653 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.7 | -48.1 | 175.2 | -73.4 | -179.4 | -173.5 | 174.6 | 2.2 | 111.3 | I476 Q477 H482 Q483 T484 | I476-R480 WeakPolarHBondContact O-CG 3.41Å; I476-R480 PolarHBondContact O-N 2.89Å; Q477-R480 PolarHBondContact O-N 3.35Å; R480-H482 VanDerWaalsContact C-N 3.32Å; R480-H482 PolarHBondContact O-N 3.1Å; R480-Q483 PolarHBondContact O-N 2.91Å; R480-Q483 VanDerWaalsContact O-N 3.1Å; R480-T484 WeakPolarHBondContact O-CG2 3.33Å; R480-T484 PolarHBondContact O-N 3.38Å; R480-T484 PolarHBondContact O-OG1 2.94Å; R480-T484 VanDerWaalsContact O-OG1 3.13Å |
| 481 | K | 94.6 | Very high | 93.3 | Very high | 146 Ų | 146 | 109 Ų | 109 | 64% | 0.635 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -58 | -43.2 | 175.9 | -74.3 | -177.5 | 179.2 | -173.5 | 0 | 111.9 | Q477 S478 Q483 T484 E485 | Q477-K481 WeakPolarHBondContact O-CB 3.27Å; Q477-K481 WeakPolarHBondContact O-CG 3.37Å; Q477-K481 PolarHBondContact O-N 3.28Å; S478-K481 PolarHBondContact O-N 2.95Å; K481-Q483 VanDerWaalsContact C-N 3.34Å; K481-T484 WeakPolarHBondContact CA-OG1 3.46Å; K481-T484 PolarHBondContact O-OG1 3.21Å; K481-E485 VanDerWaalsContact O-CB 3.26Å; K481-E485 WeakPolarHBondContact O-CB 3.39Å; K481-E485 PolarHBondContact O-N 3.41Å |
| 482 | H | 91.8 | Very high | 92.9 | Very high | 109 Ų | 109 | 110.2 Ų | 110.2 | 51% | 0.505 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 175.6 | -170.8 | -30.1 | 0 | 0 | 0 | 111.6 | S478 K479 R480 E485 K486 | S478-H482 WeakPolarHBondContact O-CB 3.39Å; S478-H482 PolarHBondContact O-N 3.08Å; K479-H482 PolarHBondContact O-N 2.8Å; R480-H482 VanDerWaalsContact C-N 3.32Å; R480-H482 PolarHBondContact O-N 3.1Å; H482-E485 PolarHBondContact O-N 3.5Å; H482-K486 WeakPolarHBondContact CE1-CE 3.49Å; H482-K486 PolarHBondContact CE1-NZ 2.94Å; H482-K486 VanDerWaalsContact CE1-NZ 3.33Å; H482-K486 WeakPolarHBondContact ND1-CD 3.21Å; H482-K486 WeakPolarHBondContact O-CB 3.48Å; H482-K486 WeakPolarHBondContact O-CG 3.49Å; H482-K486 PolarHBondContact O-N 3.22Å |
| 483 | Q | 92.1 | Very high | 92.7 | Very high | 116 Ų | 116 | 107.3 Ų | 107.3 | 54% | 0.542 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68 | -44.6 | 178.9 | -171.3 | 64.8 | 15.9 | 0 | 0 | 111.7 | K479 R480 K481 E485 K486 E487 | K479-Q483 WeakPolarHBondContact O-CB 3.3Å; K479-Q483 PolarHBondContact O-N 3.45Å; R480-Q483 PolarHBondContact O-N 2.91Å; R480-Q483 VanDerWaalsContact O-N 3.1Å; K481-Q483 VanDerWaalsContact C-N 3.34Å; Q483-E485 VanDerWaalsContact C-N 3.3Å; Q483-E485 PolarHBondContact O-N 3.49Å; Q483-K486 WeakPolarHBondContact O-CB 3.45Å; Q483-K486 PolarHBondContact O-N 3.31Å; Q483-E487 WeakPolarHBondContact O-CB 3.38Å; Q483-E487 PolarHBondContact O-N 2.95Å |
| 484 | T | 92 | Very high | 92.4 | Very high | 82 Ų | 82 | 107.9 Ų | 107.9 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.6 | -36.9 | 175.9 | 52.3 | 0 | 0 | 0 | 0 | 111.6 | R480 K481 E487 K488 | R480-T484 WeakPolarHBondContact O-CG2 3.33Å; R480-T484 PolarHBondContact O-N 3.38Å; R480-T484 PolarHBondContact O-OG1 2.94Å; R480-T484 VanDerWaalsContact O-OG1 3.13Å; K481-T484 WeakPolarHBondContact CA-OG1 3.46Å; K481-T484 PolarHBondContact O-OG1 3.21Å; T484-E487 PolarHBondContact O-N 3.37Å; T484-K488 VanDerWaalsContact O-CB 3.26Å; T484-K488 WeakPolarHBondContact O-CB 3.38Å; T484-K488 PolarHBondContact O-N 3.02Å |
| 485 | E | 92.6 | Very high | 92.1 | Very high | 91 Ų | 91 | 109 Ų | 109 | 43% | 0.425 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.9 | -41.5 | 174.9 | -173.4 | 60.3 | -148.8 | 0 | 0 | 111.4 | K481 H482 Q483 K488 Q489 | K481-E485 VanDerWaalsContact O-CB 3.26Å; K481-E485 WeakPolarHBondContact O-CB 3.39Å; K481-E485 PolarHBondContact O-N 3.41Å; H482-E485 PolarHBondContact O-N 3.5Å; Q483-E485 VanDerWaalsContact C-N 3.3Å; Q483-E485 PolarHBondContact O-N 3.49Å; E485-K488 PolarHBondContact O-N 3.02Å; E485-Q489 WeakPolarHBondContact O-CB 3.39Å; E485-Q489 VanDerWaalsContact O-CG 3.28Å; E485-Q489 WeakPolarHBondContact O-CG 3.46Å; E485-Q489 PolarHBondContact O-N 3.49Å; E485-Q489 PolarHBondContact OE1-NE2 3.16Å |
| 486 | K | 91 | Very high | 91.9 | Very high | 101 Ų | 101 | 110.1 Ų | 110.1 | 44% | 0.439 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 173.3 | -85.6 | 174.7 | 160.7 | 155.1 | 0 | 112.4 | H482 Q483 Q489 L490 | H482-K486 WeakPolarHBondContact CE1-CE 3.49Å; H482-K486 PolarHBondContact CE1-NZ 2.94Å; H482-K486 VanDerWaalsContact CE1-NZ 3.33Å; H482-K486 WeakPolarHBondContact ND1-CD 3.21Å; H482-K486 WeakPolarHBondContact O-CB 3.48Å; H482-K486 WeakPolarHBondContact O-CG 3.49Å; H482-K486 PolarHBondContact O-N 3.22Å; Q483-K486 WeakPolarHBondContact O-CB 3.45Å; Q483-K486 PolarHBondContact O-N 3.31Å; K486-Q489 PolarHBondContact O-N 2.9Å; K486-L490 WeakPolarHBondContact O-CG 3.45Å; K486-L490 PolarHBondContact O-N 3.38Å |
| 487 | E | 88.8 | Confident | 91.7 | Very high | 121 Ų | 121 | 113.2 Ų | 113.2 | 57% | 0.565 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.1 | -45.2 | 177.5 | -175 | 171.2 | -164.3 | 0 | 0 | 110.9 | Q483 T484 Q489 L490 E491 | Q483-E487 WeakPolarHBondContact O-CB 3.38Å; Q483-E487 PolarHBondContact O-N 2.95Å; T484-E487 PolarHBondContact O-N 3.37Å; E487-Q489 VanDerWaalsContact C-N 3.33Å; E487-Q489 PolarHBondContact O-N 3.46Å; E487-L490 WeakPolarHBondContact O-CB 3.44Å; E487-L490 PolarHBondContact O-N 3.48Å; E487-L490 VanDerWaalsContact O-N 3.14Å; E487-E491 WeakPolarHBondContact O-CB 3.44Å; E487-E491 PolarHBondContact O-N 3.5Å |
| 488 | K | 92.2 | Very high | 91.3 | Very high | 109 Ų | 109 | 113.7 Ų | 113.7 | 47% | 0.474 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59 | -42.7 | 173.9 | -169.7 | -174.5 | 177.8 | -156.9 | 0 | 112.1 | T484 E485 E491 E492 | T484-K488 VanDerWaalsContact O-CB 3.26Å; T484-K488 WeakPolarHBondContact O-CB 3.38Å; T484-K488 PolarHBondContact O-N 3.02Å; E485-K488 PolarHBondContact O-N 3.02Å; K488-E491 PolarHBondContact O-N 2.85Å; K488-E492 VanDerWaalsContact CE-OE1 3.24Å; K488-E492 WeakPolarHBondContact CE-OE1 3.41Å; K488-E492 IonicContact NZ-OE1 2.87Å; K488-E492 WeakPolarHBondContact O-CB 3.25Å; K488-E492 WeakPolarHBondContact O-CG 3.33Å; K488-E492 PolarHBondContact O-N 3.28Å |
| 489 | Q | 90.6 | Very high | 91.2 | Very high | 106 Ų | 106 | 115.8 Ų | 115.8 | 50% | 0.495 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.7 | -38.1 | 175.2 | -74.5 | 174.8 | 12 | 0 | 0 | 112.6 | E485 K486 E487 A493 | E485-Q489 WeakPolarHBondContact O-CB 3.39Å; E485-Q489 VanDerWaalsContact O-CG 3.28Å; E485-Q489 WeakPolarHBondContact O-CG 3.46Å; E485-Q489 PolarHBondContact O-N 3.49Å; E485-Q489 PolarHBondContact OE1-NE2 3.16Å; K486-Q489 PolarHBondContact O-N 2.9Å; E487-Q489 VanDerWaalsContact C-N 3.33Å; E487-Q489 PolarHBondContact O-N 3.46Å; Q489-A493 VanDerWaalsContact O-CB 3.24Å; Q489-A493 WeakPolarHBondContact O-CB 3.35Å; Q489-A493 PolarHBondContact O-N 3.37Å |
| 490 | L | 89 | Confident | 91 | Very high | 128 Ų | 128 | 114.4 Ų | 114.4 | 67% | 0.67 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.9 | -40.5 | 174.5 | -78.6 | 170.5 | 0 | 0 | 0 | 111.8 | K486 E487 A493 Y494 | K486-L490 WeakPolarHBondContact O-CG 3.45Å; K486-L490 PolarHBondContact O-N 3.38Å; E487-L490 WeakPolarHBondContact O-CB 3.44Å; E487-L490 PolarHBondContact O-N 3.48Å; E487-L490 VanDerWaalsContact O-N 3.14Å; L490-A493 PolarHBondContact O-N 2.85Å; L490-Y494 WeakPolarHBondContact O-CB 3.32Å; L490-Y494 PolarHBondContact O-N 3.03Å |
| 491 | E | 88.9 | Confident | 90.8 | Very high | 137 Ų | 137 | 108.8 Ų | 108.8 | 64% | 0.64 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.9 | -41.6 | 177.4 | -172.9 | 159.5 | -153.6 | 0 | 0 | 111.8 | E487 K488 Y494 R495 | E487-E491 WeakPolarHBondContact O-CB 3.44Å; E487-E491 PolarHBondContact O-N 3.5Å; K488-E491 PolarHBondContact O-N 2.85Å; E491-Y494 PolarHBondContact O-N 2.82Å; E491-R495 WeakPolarHBondContact O-CB 3.48Å; E491-R495 PolarHBondContact O-N 3.15Å |
| 492 | E | 89.4 | Confident | 90.6 | Very high | 78 Ų | 78 | 104.7 Ų | 104.7 | 36% | 0.364 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 171.6 | -75.8 | 177.9 | -172.4 | 0 | 0 | 111.3 | K488 Y494 R495 I496 | K488-E492 VanDerWaalsContact CE-OE1 3.24Å; K488-E492 WeakPolarHBondContact CE-OE1 3.41Å; K488-E492 IonicContact NZ-OE1 2.87Å; K488-E492 WeakPolarHBondContact O-CB 3.25Å; K488-E492 WeakPolarHBondContact O-CG 3.33Å; K488-E492 PolarHBondContact O-N 3.28Å; E492-Y494 VanDerWaalsContact C-N 3.32Å; E492-Y494 PolarHBondContact O-N 3.22Å; E492-R495 PolarHBondContact O-N 2.88Å; E492-I496 VanDerWaalsContact O-CG1 3.25Å; E492-I496 WeakPolarHBondContact O-CG1 3.17Å; E492-I496 PolarHBondContact O-N 3.03Å |
| 493 | A | 91.1 | Very high | 90.5 | Very high | 44 Ų | 44 | 105.3 Ų | 105.3 | 36% | 0.364 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.7 | -37.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q489 L490 K497 | Q489-A493 VanDerWaalsContact O-CB 3.24Å; Q489-A493 WeakPolarHBondContact O-CB 3.35Å; Q489-A493 PolarHBondContact O-N 3.37Å; L490-A493 PolarHBondContact O-N 2.85Å; A493-K497 WeakPolarHBondContact O-CG 3.48Å; A493-K497 PolarHBondContact O-N 2.78Å |
| 494 | Y | 90.6 | Very high | 90.4 | Very high | 150 Ų | 150 | 102.6 Ų | 102.6 | 59% | 0.588 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.6 | -42.9 | 174.7 | -173.2 | -97.5 | 0 | 0 | 0 | 111.4 | L490 E491 E492 K497 M498 | L490-Y494 WeakPolarHBondContact O-CB 3.32Å; L490-Y494 PolarHBondContact O-N 3.03Å; E491-Y494 PolarHBondContact O-N 2.82Å; E492-Y494 VanDerWaalsContact C-N 3.32Å; E492-Y494 PolarHBondContact O-N 3.22Å; Y494-K497 PolarHBondContact O-N 2.65Å; Y494-M498 HydrophobicContact CD1-CG 4.03Å; Y494-M498 HydrophobicContact CE1-CG 3.66Å; Y494-M498 HydrophobicContact CE1-SD 4.28Å; Y494-M498 WeakPolarHBondContact O-CG 3.42Å; Y494-M498 PolarHBondContact O-N 2.99Å |
| 495 | R | 90.6 | Very high | 90.3 | Very high | 154 Ų | 154 | 104.8 Ų | 104.8 | 58% | 0.581 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.9 | -46.9 | 175.4 | -162.5 | -168.2 | 77.6 | -158.3 | 0.6 | 111.3 | E491 E492 K497 M498 E499 | E491-R495 WeakPolarHBondContact O-CB 3.48Å; E491-R495 PolarHBondContact O-N 3.15Å; E492-R495 PolarHBondContact O-N 2.88Å; R495-K497 VanDerWaalsContact C-N 3.33Å; R495-K497 PolarHBondContact O-N 2.99Å; R495-M498 PolarHBondContact O-N 3.49Å; R495-E499 WeakPolarHBondContact O-CB 3.41Å; R495-E499 PolarHBondContact O-N 3.32Å |
| 496 | I | 90.5 | Very high | 90.1 | Very high | 79 Ų | 79 | 105.6 Ų | 105.6 | 41% | 0.405 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.3 | -42.5 | 176 | -67.8 | 164.2 | 0 | 0 | 0 | 110.7 | E492 E499 Q500 | E492-I496 VanDerWaalsContact O-CG1 3.25Å; E492-I496 WeakPolarHBondContact O-CG1 3.17Å; E492-I496 PolarHBondContact O-N 3.03Å; I496-E499 PolarHBondContact O-N 2.7Å; I496-Q500 HydrophobicContact CG2-CG 4.37Å; I496-Q500 WeakPolarHBondContact O-CB 3.48Å; I496-Q500 VanDerWaalsContact O-CG 3.27Å; I496-Q500 WeakPolarHBondContact O-CG 3.43Å; I496-Q500 PolarHBondContact O-N 2.89Å |
| 497 | K | 90.7 | Very high | 89.9 | Confident | 140 Ų | 140 | 105.6 Ų | 105.6 | 61% | 0.609 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.7 | -41.2 | 176.5 | -78.9 | 179.6 | 179.1 | -178.8 | 0 | 112.7 | A493 Y494 R495 Q500 A501 | A493-K497 WeakPolarHBondContact O-CG 3.48Å; A493-K497 PolarHBondContact O-N 2.78Å; Y494-K497 PolarHBondContact O-N 2.65Å; R495-K497 VanDerWaalsContact C-N 3.33Å; R495-K497 PolarHBondContact O-N 2.99Å; K497-Q500 PolarHBondContact O-N 3.44Å; K497-A501 WeakPolarHBondContact O-CB 3.26Å; K497-A501 PolarHBondContact O-N 2.74Å |
| 498 | M | 87.6 | Confident | 90 | Very high | 104 Ų | 104 | 106.6 Ų | 106.6 | 51% | 0.512 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.3 | -41.4 | 177 | -73 | -66.7 | -71.6 | 0 | 0 | 111.4 | Y494 R495 A501 A502 | Y494-M498 HydrophobicContact CD1-CG 4.03Å; Y494-M498 HydrophobicContact CE1-CG 3.66Å; Y494-M498 HydrophobicContact CE1-SD 4.28Å; Y494-M498 WeakPolarHBondContact O-CG 3.42Å; Y494-M498 PolarHBondContact O-N 2.99Å; R495-M498 PolarHBondContact O-N 3.49Å; M498-A501 PolarHBondContact O-N 2.84Å; M498-A502 WeakPolarHBondContact O-CB 3.31Å; M498-A502 PolarHBondContact O-N 3.3Å |
| 499 | E | 91.4 | Very high | 89.7 | Confident | 114 Ų | 114 | 105.4 Ų | 105.4 | 53% | 0.533 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.4 | -47.5 | 174.4 | -172.9 | 171.6 | -164.7 | 0 | 0 | 111.1 | R495 I496 A501 A502 E503 | R495-E499 WeakPolarHBondContact O-CB 3.41Å; R495-E499 PolarHBondContact O-N 3.32Å; I496-E499 PolarHBondContact O-N 2.7Å; E499-A501 VanDerWaalsContact C-N 3.32Å; E499-A501 PolarHBondContact O-N 2.88Å; E499-A502 PolarHBondContact O-N 3.23Å; E499-E503 WeakPolarHBondContact O-CB 3.2Å; E499-E503 PolarHBondContact O-N 3.29Å |
| 500 | Q | 91.5 | Very high | 89.4 | Confident | 120 Ų | 120 | 105 Ų | 105 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.6 | -39.7 | 173.7 | -76.4 | 178.4 | -8.3 | 0 | 0 | 112.7 | I496 K497 A504 | I496-Q500 HydrophobicContact CG2-CG 4.37Å; I496-Q500 WeakPolarHBondContact O-CB 3.48Å; I496-Q500 VanDerWaalsContact O-CG 3.27Å; I496-Q500 WeakPolarHBondContact O-CG 3.43Å; I496-Q500 PolarHBondContact O-N 2.89Å; K497-Q500 PolarHBondContact O-N 3.44Å; Q500-A504 VanDerWaalsContact O-CB 3.23Å; Q500-A504 WeakPolarHBondContact O-CB 3.35Å; Q500-A504 PolarHBondContact O-N 3.44Å |
| 501 | A | 90.1 | Very high | 89.1 | Confident | 56 Ų | 56 | 105.7 Ų | 105.7 | 46% | 0.463 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.9 | -41.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K497 M498 E499 A504 Y505 | K497-A501 WeakPolarHBondContact O-CB 3.26Å; K497-A501 PolarHBondContact O-N 2.74Å; M498-A501 PolarHBondContact O-N 2.84Å; E499-A501 VanDerWaalsContact C-N 3.32Å; E499-A501 PolarHBondContact O-N 2.88Å; A501-A504 PolarHBondContact O-N 2.88Å; A501-Y505 WeakPolarHBondContact O-CB 3.43Å; A501-Y505 PolarHBondContact O-N 2.93Å |
| 502 | A | 89.7 | Confident | 88.8 | Confident | 60 Ų | 60 | 104.1 Ų | 104.1 | 50% | 0.496 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.2 | -43 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | M498 E499 Y505 H506 | M498-A502 WeakPolarHBondContact O-CB 3.31Å; M498-A502 PolarHBondContact O-N 3.3Å; E499-A502 PolarHBondContact O-N 3.23Å; A502-Y505 WeakPolarHBondContact O-CB 3.4Å; A502-Y505 PolarHBondContact O-N 2.82Å; A502-H506 WeakPolarHBondContact O-CB 3.35Å; A502-H506 PolarHBondContact O-N 3.17Å |
| 503 | E | 90.5 | Very high | 88 | Confident | 122 Ų | 122 | 104.3 Ų | 104.3 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.2 | -40.5 | 176.1 | -166.6 | 174.3 | -164.8 | 0 | 0 | 111.6 | E499 Y505 H506 Q507 | E499-E503 WeakPolarHBondContact O-CB 3.2Å; E499-E503 PolarHBondContact O-N 3.29Å; E503-Y505 VanDerWaalsContact C-N 3.34Å; E503-Y505 PolarHBondContact O-N 3.5Å; E503-H506 PolarHBondContact O-N 2.98Å; E503-Q507 WeakPolarHBondContact O-CB 3.49Å; E503-Q507 WeakPolarHBondContact O-CG 3.36Å; E503-Q507 PolarHBondContact O-N 2.77Å |
| 504 | A | 89.5 | Confident | 87 | Confident | 59 Ų | 59 | 104.1 Ų | 104.1 | 49% | 0.488 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.5 | -37.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q500 A501 Q507 W508 | Q500-A504 VanDerWaalsContact O-CB 3.23Å; Q500-A504 WeakPolarHBondContact O-CB 3.35Å; Q500-A504 PolarHBondContact O-N 3.44Å; A501-A504 PolarHBondContact O-N 2.88Å; A504-Q507 WeakPolarHBondContact O-CB 3.31Å; A504-W508 WeakPolarHBondContact O-CB 3.31Å; A504-W508 PolarHBondContact O-N 3.48Å |
| 505 | Y | 89.3 | Confident | 85.6 | Confident | 128 Ų | 128 | 100.3 Ų | 100.3 | 50% | 0.502 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.6 | -44.9 | 174.5 | -179.5 | -94 | 0 | 0 | 0 | 111.4 | A501 A502 E503 Q507 W508 E509 | A501-Y505 WeakPolarHBondContact O-CB 3.43Å; A501-Y505 PolarHBondContact O-N 2.93Å; A502-Y505 WeakPolarHBondContact O-CB 3.4Å; A502-Y505 PolarHBondContact O-N 2.82Å; E503-Y505 VanDerWaalsContact C-N 3.34Å; E503-Y505 PolarHBondContact O-N 3.5Å; Y505-Q507 VanDerWaalsContact C-N 3.34Å; Y505-Q507 PolarHBondContact O-N 2.72Å; Y505-W508 HydrophobicContact CD2-CE3 4.46Å; Y505-W508 HydrophobicContact CE2-CE3 4.12Å; Y505-W508 HydrophobicContact CE2-CZ3 4.21Å; Y505-W508 CarbonylContact O-C 3.58Å; Y505-W508 WeakPolarHBondContact O-CA 3.26Å; Y505-W508 WeakPolarHBondContact O-CB 3.45Å; Y505-W508 PolarHBondContact O-N 2.94Å; Y505-E509 HydrophobicContact CD1-CG 4.35Å; Y505-E509 HydrophobicContact CE1-CG 3.76Å; Y505-E509 WeakPolarHBondContact CE1-OE1 3.16Å; Y505-E509 VanDerWaalsContact CZ-OE1 3.26Å; Y505-E509 PolarHBondContact O-N 2.85Å; Y505-E509 PolarHBondContact OH-OE1 3.38Å |
| 506 | H | 88.5 | Confident | 84.1 | Confident | 108 Ų | 108 | 97.4 Ų | 97.4 | 50% | 0.5 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.9 | -43 | 174.9 | -174 | -86.3 | 0 | 0 | 0 | 111.7 | A502 E503 W508 E509 L510 | A502-H506 WeakPolarHBondContact O-CB 3.35Å; A502-H506 PolarHBondContact O-N 3.17Å; E503-H506 PolarHBondContact O-N 2.98Å; H506-W508 VanDerWaalsContact C-N 3.3Å; H506-W508 PolarHBondContact O-N 3.5Å; H506-E509 PolarHBondContact O-N 2.84Å; H506-L510 WeakPolarHBondContact O-CG 3.43Å; H506-L510 PolarHBondContact O-N 3.1Å |
| 507 | Q | 88.5 | Confident | 82.4 | Confident | 101 Ų | 101 | 99.8 Ų | 99.8 | 47% | 0.472 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.9 | -39.8 | 171.5 | -76.2 | -92.9 | -11.5 | 0 | 0 | 112.3 | E503 A504 Y505 K511 | E503-Q507 WeakPolarHBondContact O-CB 3.49Å; E503-Q507 WeakPolarHBondContact O-CG 3.36Å; E503-Q507 PolarHBondContact O-N 2.77Å; A504-Q507 WeakPolarHBondContact O-CB 3.31Å; Y505-Q507 VanDerWaalsContact C-N 3.34Å; Y505-Q507 PolarHBondContact O-N 2.72Å; Q507-K511 WeakPolarHBondContact O-CB 3.46Å; Q507-K511 WeakPolarHBondContact O-CG 3.34Å; Q507-K511 PolarHBondContact O-N 3.4Å |
| 508 | W | 90.4 | Very high | 80.7 | Confident | 142 Ų | 142 | 97.9 Ų | 97.9 | 54% | 0.538 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67 | -42.8 | 176.2 | 177.9 | 86.4 | 0 | 0 | 0 | 112 | A504 Y505 H506 K511 K512 | A504-W508 WeakPolarHBondContact O-CB 3.31Å; A504-W508 PolarHBondContact O-N 3.48Å; Y505-W508 HydrophobicContact CD2-CE3 4.46Å; Y505-W508 HydrophobicContact CE2-CE3 4.12Å; Y505-W508 HydrophobicContact CE2-CZ3 4.21Å; Y505-W508 CarbonylContact O-C 3.58Å; Y505-W508 WeakPolarHBondContact O-CA 3.26Å; Y505-W508 WeakPolarHBondContact O-CB 3.45Å; Y505-W508 PolarHBondContact O-N 2.94Å; H506-W508 VanDerWaalsContact C-N 3.3Å; H506-W508 PolarHBondContact O-N 3.5Å; W508-K511 PolarHBondContact O-N 2.92Å; W508-K512 HydrophobicContact CD2-CG 4.25Å; W508-K512 HydrophobicContact CE3-CG 4.44Å; W508-K512 HydrophobicContact CH2-CG 4Å; W508-K512 HydrophobicContact CZ2-CD 4.42Å; W508-K512 HydrophobicContact CZ2-CG 3.77Å; W508-K512 HydrophobicContact CZ3-CG 4.33Å; W508-K512 WeakPolarHBondContact O-CB 3.35Å; W508-K512 PolarHBondContact O-N 2.73Å |
| 509 | E | 85.3 | Confident | 78.8 | Confident | 84 Ų | 84 | 98 Ų | 98 | 39% | 0.393 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61 | -46.9 | 174.3 | -79.4 | -167.3 | 160.6 | 0 | 0 | 111.6 | Y505 H506 K511 K512 V513 | Y505-E509 HydrophobicContact CD1-CG 4.35Å; Y505-E509 HydrophobicContact CE1-CG 3.76Å; Y505-E509 WeakPolarHBondContact CE1-OE1 3.16Å; Y505-E509 VanDerWaalsContact CZ-OE1 3.26Å; Y505-E509 PolarHBondContact O-N 2.85Å; Y505-E509 PolarHBondContact OH-OE1 3.38Å; H506-E509 PolarHBondContact O-N 2.84Å; E509-K511 VanDerWaalsContact C-N 3.32Å; E509-K511 PolarHBondContact O-N 2.95Å; E509-K512 CarbonylContact O-C 3.6Å; E509-K512 WeakPolarHBondContact O-CA 3.34Å; E509-K512 WeakPolarHBondContact O-CB 3.35Å; E509-K512 PolarHBondContact O-N 3.48Å; E509-V513 WeakPolarHBondContact O-CG2 3.34Å; E509-V513 PolarHBondContact O-N 3.29Å |
| 510 | L | 84.8 | Confident | 76.9 | Confident | 97 Ų | 97 | 98.1 Ų | 98.1 | 51% | 0.508 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.2 | -44.1 | 174.9 | -73.2 | 175.2 | 0 | 0 | 0 | 111.9 | H506 K512 V513 A514 | H506-L510 WeakPolarHBondContact O-CG 3.43Å; H506-L510 PolarHBondContact O-N 3.1Å; L510-K512 VanDerWaalsContact C-N 3.31Å; L510-K512 PolarHBondContact O-N 3.43Å; L510-V513 PolarHBondContact O-N 2.87Å; L510-A514 VanDerWaalsContact O-CB 3.31Å; L510-A514 WeakPolarHBondContact O-CB 3.47Å; L510-A514 PolarHBondContact O-N 3.41Å |
| 511 | K | 82.8 | Confident | 75 | Confident | 142 Ų | 142 | 99 Ų | 99 | 62% | 0.617 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.7 | -34.9 | 174.3 | -78.7 | 179.2 | -178.5 | 174.5 | 0 | 112.4 | Q507 W508 E509 S515 | Q507-K511 WeakPolarHBondContact O-CB 3.46Å; Q507-K511 WeakPolarHBondContact O-CG 3.34Å; Q507-K511 PolarHBondContact O-N 3.4Å; W508-K511 PolarHBondContact O-N 2.92Å; E509-K511 VanDerWaalsContact C-N 3.32Å; E509-K511 PolarHBondContact O-N 2.95Å; K511-S515 WeakPolarHBondContact O-CA 3.4Å; K511-S515 WeakPolarHBondContact O-CB 3.3Å; K511-S515 PolarHBondContact O-N 3.33Å |
| 512 | K | 82 | Confident | 72.9 | Confident | 104 Ų | 104 | 100.1 Ų | 100.1 | 45% | 0.452 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.9 | -43.7 | 175.9 | -103.6 | -73.9 | -171.8 | 177.1 | 0 | 111.4 | W508 E509 L510 S515 L516 | W508-K512 HydrophobicContact CD2-CG 4.25Å; W508-K512 HydrophobicContact CE3-CG 4.44Å; W508-K512 HydrophobicContact CH2-CG 4Å; W508-K512 HydrophobicContact CZ2-CD 4.42Å; W508-K512 HydrophobicContact CZ2-CG 3.77Å; W508-K512 HydrophobicContact CZ3-CG 4.33Å; W508-K512 WeakPolarHBondContact O-CB 3.35Å; W508-K512 PolarHBondContact O-N 2.73Å; E509-K512 CarbonylContact O-C 3.6Å; E509-K512 WeakPolarHBondContact O-CA 3.34Å; E509-K512 WeakPolarHBondContact O-CB 3.35Å; E509-K512 PolarHBondContact O-N 3.48Å; L510-K512 VanDerWaalsContact C-N 3.31Å; L510-K512 PolarHBondContact O-N 3.43Å; K512-S515 PolarHBondContact O-N 2.87Å; K512-L516 WeakPolarHBondContact O-CB 3.23Å; K512-L516 WeakPolarHBondContact O-CG 3.33Å; K512-L516 PolarHBondContact O-N 2.93Å |
| 513 | V | 72.9 | Confident | 70.8 | Confident | 82 Ų | 82 | 103.6 Ų | 103.6 | 50% | 0.497 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.5 | -47.1 | 175.5 | 176.4 | 0 | 0 | 0 | 0 | 110.1 | E509 L510 S515 L516 E517 | E509-V513 WeakPolarHBondContact O-CG2 3.34Å; E509-V513 PolarHBondContact O-N 3.29Å; L510-V513 PolarHBondContact O-N 2.87Å; V513-S515 VanDerWaalsContact C-N 3.29Å; V513-S515 PolarHBondContact O-N 3.17Å; V513-L516 PolarHBondContact O-N 3.34Å; V513-L516 VanDerWaalsContact O-N 3.07Å; V513-E517 PolarHBondContact O-N 3.46Å |
| 514 | A | 69.2 | Low | 68.4 | Low | 40 Ų | 40 | 104.6 Ų | 104.6 | 33% | 0.331 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.4 | -33.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L510 N518 | L510-A514 VanDerWaalsContact O-CB 3.31Å; L510-A514 WeakPolarHBondContact O-CB 3.47Å; L510-A514 PolarHBondContact O-N 3.41Å; A514-N518 VanDerWaalsContact O-CB 3.28Å; A514-N518 WeakPolarHBondContact O-CB 3.44Å; A514-N518 VanDerWaalsContact O-CG 3.29Å; A514-N518 PolarHBondContact O-N 2.86Å; A514-N518 PolarHBondContact O-ND2 3.46Å |
| 515 | S | 61.2 | Low | 66 | Low | 70 Ų | 70 | 110.5 Ų | 110.5 | 49% | 0.49 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -72.7 | -29.8 | 173.8 | 178.8 | 0 | 0 | 0 | 0 | 112.2 | K511 K512 V513 L519 | K511-S515 WeakPolarHBondContact O-CA 3.4Å; K511-S515 WeakPolarHBondContact O-CB 3.3Å; K511-S515 PolarHBondContact O-N 3.33Å; K512-S515 PolarHBondContact O-N 2.87Å; V513-S515 VanDerWaalsContact C-N 3.29Å; V513-S515 PolarHBondContact O-N 3.17Å; S515-L519 VanDerWaalsContact O-CB 3.23Å; S515-L519 WeakPolarHBondContact O-CB 3.47Å; S515-L519 PolarHBondContact O-N 3.05Å |
| 516 | L | 58.8 | Low | 63.7 | Low | 94 Ų | 94 | 109 Ų | 109 | 49% | 0.492 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -76.6 | -40.1 | 174.5 | -82.7 | 161.2 | 0 | 0 | 0 | 111 | K512 V513 N518 L519 V520 | K512-L516 WeakPolarHBondContact O-CB 3.23Å; K512-L516 WeakPolarHBondContact O-CG 3.33Å; K512-L516 PolarHBondContact O-N 2.93Å; V513-L516 PolarHBondContact O-N 3.34Å; V513-L516 VanDerWaalsContact O-N 3.07Å; L516-N518 VanDerWaalsContact C-N 3.35Å; L516-L519 PolarHBondContact O-N 2.81Å; L516-V520 WeakPolarHBondContact O-CG2 3.33Å; L516-V520 PolarHBondContact O-N 3.36Å |
| 517 | E | 55.8 | Low | 61.4 | Low | 129 Ų | 129 | 110.6 Ų | 110.6 | 60% | 0.603 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -62.1 | -41.7 | 170 | -79.6 | -177.8 | 148.9 | 0 | 0 | 111.6 | V513 V520 I521 | V513-E517 PolarHBondContact O-N 3.46Å; E517-V520 PolarHBondContact O-N 3.27Å; E517-I521 WeakPolarHBondContact O-CG1 3.29Å; E517-I521 PolarHBondContact O-N 2.77Å |
| 518 | N | 54.5 | Low | 59.3 | Low | 100 Ų | 100 | 114.9 Ų | 114.9 | 54% | 0.535 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.3 | -32.3 | 172.7 | -77.7 | -44.7 | 0 | 0 | 0 | 112.6 | A514 L516 I521 S522 | A514-N518 VanDerWaalsContact O-CB 3.28Å; A514-N518 WeakPolarHBondContact O-CB 3.44Å; A514-N518 VanDerWaalsContact O-CG 3.29Å; A514-N518 PolarHBondContact O-N 2.86Å; A514-N518 PolarHBondContact O-ND2 3.46Å; L516-N518 VanDerWaalsContact C-N 3.35Å; N518-I521 PolarHBondContact O-N 3.26Å; N518-S522 VanDerWaalsContact O-CB 3.25Å; N518-S522 WeakPolarHBondContact O-CB 3.46Å; N518-S522 PolarHBondContact O-N 2.78Å; N518-S522 VanDerWaalsContact O-N 3.09Å; N518-S522 PolarHBondContact O-OG 2.97Å |
| 519 | L | 49.2 | Very low | 57.1 | Low | 106 Ų | 106 | 113.8 Ų | 113.8 | 56% | 0.555 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -70.3 | -33.9 | 175.9 | -167.7 | 71.4 | 0 | 0 | 0 | 111.7 | S515 L516 I521 S522 I523 | S515-L519 VanDerWaalsContact O-CB 3.23Å; S515-L519 WeakPolarHBondContact O-CB 3.47Å; S515-L519 PolarHBondContact O-N 3.05Å; L516-L519 PolarHBondContact O-N 2.81Å; L519-I521 VanDerWaalsContact C-N 3.3Å; L519-I521 PolarHBondContact O-N 3.43Å; L519-S522 PolarHBondContact O-N 2.93Å; L519-I523 WeakPolarHBondContact O-CG1 3.46Å |
| 520 | V | 50.2 | Low | 55.2 | Low | 116 Ų | 116 | 117.6 Ų | 117.6 | 70% | 0.703 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -70.1 | -26.8 | 175.5 | 171.3 | 0 | 0 | 0 | 0 | 112 | L516 E517 | L516-V520 WeakPolarHBondContact O-CG2 3.33Å; L516-V520 PolarHBondContact O-N 3.36Å; E517-V520 PolarHBondContact O-N 3.27Å |
| 521 | I | 51.2 | Low | 53 | Low | 139 Ų | 139 | 124.4 Ų | 124.4 | 71% | 0.713 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -90.7 | -15.3 | 178.1 | -62.4 | 169 | 0 | 0 | 0 | 112.7 | E517 N518 L519 | E517-I521 WeakPolarHBondContact O-CG1 3.29Å; E517-I521 PolarHBondContact O-N 2.77Å; N518-I521 PolarHBondContact O-N 3.26Å; L519-I521 VanDerWaalsContact C-N 3.3Å; L519-I521 PolarHBondContact O-N 3.43Å |
| 522 | S | 47.5 | Very low | 51.3 | Low | 80 Ų | 80 | 129.4 Ų | 129.4 | 56% | 0.559 | 66% | 0.664 | S | S | * | * | trans | -102.5 | 5 | -171.9 | -52.8 | 0 | 0 | 0 | 0 | 115.5 | N518 L519 D524 | N518-S522 VanDerWaalsContact O-CB 3.25Å; N518-S522 WeakPolarHBondContact O-CB 3.46Å; N518-S522 PolarHBondContact O-N 2.78Å; N518-S522 VanDerWaalsContact O-N 3.09Å; N518-S522 PolarHBondContact O-OG 2.97Å; L519-S522 PolarHBondContact O-N 2.93Å; S522-D524 PolarHBondContact O-N 3.17Å | ||
| 523 | I | 44.4 | Very low | 49.7 | Very low | 133 Ų | 133 | 130.3 Ų | 130.3 | 68% | 0.682 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | 61.8 | 176.4 | -57.1 | 161.1 | 0 | 0 | 0 | 109.5 | L519 | L519-I523 WeakPolarHBondContact O-CG1 3.46Š|
| 524 | D | 40.8 | Very low | 48.3 | Very low | 143 Ų | 143 | 137 Ų | 137 | 77% | 0.765 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.5 | -8.4 | 164.2 | -117.5 | -14.2 | 0 | 0 | 0 | 115.3 | S522 | S522-D524 PolarHBondContact O-N 3.17Š|
| 525 | H | 39.1 | Very low | 47.4 | Very low | 182 Ų | 182 | 145.9 Ų | 145.9 | 84% | 0.843 | 72% | 0.721 | S | S | * | * | trans | -119.1 | 93.9 | -176.4 | -65.4 | -10.9 | 0 | 0 | 0 | 112.5 | ||||
| 526 | S | 39.9 | Very low | 46.6 | Very low | 98 Ų | 98 | 147 Ų | 147 | 69% | 0.685 | 73% | 0.726 | S | S | * | * | trans | -52.8 | 140.8 | 178.8 | 63.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 527 | N | 40.4 | Very low | 46.4 | Very low | 141 Ų | 141 | 148.5 Ų | 148.5 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | 59 | 109.2 | 127.3 | -63.6 | -26 | 0 | 0 | 0 | 119.8 | |||||
| 528 | K | 44.3 | Very low | 45.8 | Very low | 190 Ų | 190 | 147.4 Ų | 147.4 | 83% | 0.826 | 75% | 0.749 | S | S | * | * | 166.6 | 116.1 | 104.7 | -95.8 | 159 | -178.4 | 176.5 | 0 | 115.3 | |||||
| 529 | T | 44.3 | Very low | 45.2 | Very low | 119 Ų | 119 | 152.1 Ų | 152.1 | 73% | 0.73 | 76% | 0.764 | S | S | * | * | 51.6 | 115.5 | 127.8 | 65.8 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 530 | N | 45.9 | Very low | 45 | Very low | 165 Ų | 165 | 154.2 Ų | 154.2 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | -171.5 | 130.2 | 105 | -120 | -42.8 | 0 | 0 | 0 | 113.3 | |||||
| 531 | R | 38.9 | Very low | 44.7 | Very low | 240 Ų | 240 | 155.5 Ų | 155.5 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | trans | -82.6 | 151.1 | 179.9 | -71.9 | -178.4 | 171 | -162.9 | -1.9 | 111.6 | ||||
| 532 | R | 46.5 | Very low | 44.6 | Very low | 247 Ų | 247 | 154.7 Ų | 154.7 | 93% | 0.932 | 79% | 0.79 | S | S | * | * | trans | -131.7 | 144.7 | 140.6 | -91.9 | -167.2 | -179.6 | -151.4 | 1.5 | 111.1 | ||||
| 533 | P | 49.6 | Very low | 44.8 | Very low | 122 Ų | 122 | 155.8 Ų | 155.8 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | trans | -85.1 | 137 | -172.4 | 1.5 | 19 | 0 | 0 | 0 | 111.4 | ||||
| 534 | W | 41.7 | Very low | 44.9 | Very low | 222 Ų | 222 | 156.1 Ų | 156.1 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | trans | -67.4 | 136.7 | 176.2 | -168.8 | 78.5 | 0 | 0 | 0 | 111.5 | P536 | W534-P536 HydrophobicContact CH2-CB 4.21Å; W534-P536 HydrophobicContact CZ3-CB 4.13Å | ||
| 535 | R | 50.4 | Low | 45.2 | Very low | 228 Ų | 228 | 159.4 Ų | 159.4 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -120.1 | 138.5 | 168 | -79 | -165.2 | 178.3 | -135 | 2.3 | 109.7 | ||||
| 536 | P | 45.6 | Very low | 45.6 | Very low | 92 Ų | 92 | 154.5 Ų | 154.5 | 60% | 0.597 | 79% | 0.793 | S | S | * | * | trans | -83.9 | 140.5 | -178.3 | 33.1 | -31.7 | 0 | 0 | 0 | 111.5 | W534 S538 | W534-P536 HydrophobicContact CH2-CB 4.21Å; W534-P536 HydrophobicContact CZ3-CB 4.13Å; P536-S538 PolarHBondContact O-N 2.95Å | ||
| 537 | P | 54.5 | Low | 45.8 | Very low | 127 Ų | 127 | 157.8 Ų | 157.8 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -79.1 | 108.8 | 171.1 | -3 | 20.5 | 0 | 0 | 0 | 110 | ||||
| 538 | S | 42.4 | Very low | 46 | Very low | 106 Ų | 106 | 162.8 Ų | 162.8 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | trans | -77 | 125.8 | 168.6 | 53.8 | 0 | 0 | 0 | 0 | 111.5 | P536 | P536-S538 PolarHBondContact O-N 2.95Š| ||
| 539 | K | 42.4 | Very low | 46 | Very low | 198 Ų | 198 | 160.7 Ų | 160.7 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | trans | 58.9 | 107.9 | 144.5 | -60.9 | -177 | 179 | -178.2 | 0 | 119 | ||||
| 540 | T | 45.3 | Very low | 46.5 | Very low | 150 Ų | 150 | 169.2 Ų | 169.2 | 92% | 0.92 | 82% | 0.821 | S | S | * | * | trans | -128.7 | 105 | 148.8 | -32.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 541 | I | 43.5 | Very low | 46.6 | Very low | 143 Ų | 143 | 169.4 Ų | 169.4 | 73% | 0.733 | 82% | 0.818 | S | S | * | * | trans | -112.1 | 132.4 | 162.7 | -66 | 169.5 | 0 | 0 | 0 | 105.6 | ||||
| 542 | S | 49.6 | Very low | 47 | Very low | 123 Ų | 123 | 165.7 Ų | 165.7 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | -156 | 119.6 | 141.4 | -83.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 543 | P | 51.7 | Low | 47 | Very low | 103 Ų | 103 | 161.2 Ų | 161.2 | 67% | 0.669 | 81% | 0.806 | S | S | * | * | trans | -94.8 | 135.7 | 170.9 | 35 | -26.1 | 0 | 0 | 0 | 109.7 | ||||
| 544 | N | 46 | Very low | 46.8 | Very low | 139 Ų | 139 | 163.5 Ų | 163.5 | 74% | 0.743 | 81% | 0.807 | S | S | * | * | trans | -155.5 | 115.9 | 154.4 | -110 | -18.9 | 0 | 0 | 0 | 109.4 | ||||
| 545 | Y | 46.1 | Very low | 47.2 | Very low | 213 Ų | 213 | 159.8 Ų | 159.8 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | 60.6 | 127.7 | 103.1 | -81.5 | -106.1 | 0 | 0 | 0 | 111.4 | |||||
| 546 | A | 48.2 | Very low | 46.9 | Very low | 79 Ų | 79 | 155.3 Ų | 155.3 | 65% | 0.653 | 80% | 0.802 | S | S | * | * | cis | -171.5 | 156.8 | 37.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 547 | H | 44.8 | Very low | 47 | Very low | 166 Ų | 166 | 159.8 Ų | 159.8 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | 65 | 110.1 | 135.5 | -80.1 | 31 | 0 | 0 | 0 | 120.2 | ||||
| 548 | R | 44 | Very low | 46.5 | Very low | 246 Ų | 246 | 162.3 Ų | 162.3 | 93% | 0.928 | 82% | 0.815 | S | S | * | * | trans | -121.5 | 113.2 | 149.7 | -157.6 | 178.5 | -157.9 | -158.6 | 3.8 | 108 | ||||
| 549 | M | 44.5 | Very low | 46.8 | Very low | 146 Ų | 146 | 167 Ų | 167 | 72% | 0.719 | 82% | 0.822 | S | S | * | * | trans | -106.7 | 152.4 | 166.7 | -85.4 | -76.5 | -172.2 | 0 | 0 | 108.3 | ||||
| 550 | Y | 55.4 | Low | 47.2 | Very low | 298 Ų | 298 | 164.2 Ų | 164.2 | 100% | 1.169 | 82% | 0.818 | S | S | * | * | trans | 83.9 | 0 | 177.8 | -59.2 | -75.7 | 0 | 0 | 0 | 118.2 |
Retrieved 550 of 550 residues in 126.5 ms
(Link to these results)