| 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 | 47.1 | Very low | 53.6 | Low | 247 Ų | 247 | 162.5 Ų | 162.5 | 100% | 1.217 | 86% | 0.855 | S | S | * | * | 0 | 108.8 | 0 | -116.8 | 168 | 178.7 | 0 | 0 | 107.2 | |||||
| 2 | K | 50.4 | Low | 53.4 | Low | 215 Ų | 215 | 162.2 Ų | 162.2 | 94% | 0.935 | 85% | 0.854 | S | S | * | * | trans | -94.8 | 132.2 | -172.5 | -77.8 | 177.6 | 174.5 | 177.5 | 0 | 110.1 | ||||
| 3 | V | 43.1 | Very low | 53.2 | Low | 131 Ų | 131 | 161.9 Ų | 161.9 | 79% | 0.794 | 85% | 0.849 | S | S | * | * | trans | -78.9 | 133.5 | 176.9 | 176.9 | 0 | 0 | 0 | 0 | 109.3 | M5 | V3-M5 HydrophobicContact CG1-CG 4.5Š| ||
| 4 | L | 64.6 | Low | 52.7 | Low | 158 Ų | 158 | 164.5 Ų | 164.5 | 83% | 0.827 | 85% | 0.854 | S | S | * | * | trans | -112.5 | 108.1 | 170 | -100.4 | 153 | 0 | 0 | 0 | 108.1 | ||||
| 5 | M | 58.2 | Low | 52.6 | Low | 170 Ų | 170 | 162.2 Ų | 162.2 | 84% | 0.837 | 84% | 0.844 | S | S | * | * | trans | -94.1 | 121.5 | 166.3 | -88.6 | -102.6 | 129.3 | 0 | 0 | 107.5 | V3 | V3-M5 HydrophobicContact CG1-CG 4.5Š| ||
| 6 | N | 58.5 | Low | 52.2 | Low | 144 Ų | 144 | 161.5 Ų | 161.5 | 77% | 0.77 | 84% | 0.841 | S | S | * | * | trans | -92.9 | 110.8 | 172.4 | -77.3 | -9.1 | 0 | 0 | 0 | 109.3 | ||||
| 7 | T | 50.5 | Low | 51.7 | Low | 142 Ų | 142 | 155.2 Ų | 155.2 | 87% | 0.871 | 83% | 0.825 | S | S | * | * | trans | -78.8 | 128.2 | 159.3 | 21 | 0 | 0 | 0 | 0 | 109 | ||||
| 8 | I | 62.1 | Low | 51.5 | Low | 160 Ų | 160 | 156.3 Ų | 156.3 | 82% | 0.821 | 83% | 0.831 | S | S | * | * | trans | -97.5 | 108.6 | 167.7 | -69.5 | 169 | 0 | 0 | 0 | 106.6 | ||||
| 9 | D | 53.2 | Low | 51.8 | Low | 157 Ų | 157 | 158.1 Ų | 158.1 | 84% | 0.84 | 83% | 0.831 | S | S | * | * | trans | -73.5 | 133 | 168.9 | -118.4 | -31.2 | 0 | 0 | 0 | 109.4 | ||||
| 10 | V | 52.8 | Low | 51.8 | Low | 118 Ų | 118 | 160 Ų | 160 | 72% | 0.715 | 83% | 0.832 | S | S | * | * | trans | -100.5 | 111.1 | 172.9 | 174 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 11 | N | 48.8 | Very low | 51.9 | Low | 145 Ų | 145 | 159.5 Ų | 159.5 | 78% | 0.775 | 83% | 0.829 | S | S | * | * | trans | -175 | 117.1 | 153.3 | -87.8 | -32.5 | 0 | 0 | 0 | 108.6 | ||||
| 12 | D | 51.1 | Low | 51.9 | Low | 159 Ų | 159 | 155.3 Ų | 155.3 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | trans | -157.2 | 110.8 | 151.1 | -96.9 | -30 | 0 | 0 | 0 | 111.7 | ||||
| 13 | M | 51.4 | Low | 51.6 | Low | 159 Ų | 159 | 152.2 Ų | 152.2 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | 69.3 | 89.9 | 136.6 | -55.2 | -135.5 | 83.4 | 0 | 0 | 120.1 | ||||
| 14 | E | 45.6 | Very low | 51.9 | Low | 198 Ų | 198 | 152.3 Ų | 152.3 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | trans | -75.8 | 112.3 | 135.2 | -83.7 | -175.7 | 141.2 | 0 | 0 | 109.1 | ||||
| 15 | N | 52 | Low | 50.9 | Low | 130 Ų | 130 | 151.9 Ų | 151.9 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | trans | -165.6 | 142.5 | 145.8 | -145.4 | -14.5 | 0 | 0 | 0 | 113.3 | ||||
| 16 | N | 46.3 | Very low | 50.8 | Low | 151 Ų | 151 | 150.6 Ų | 150.6 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | trans | 81.8 | 121.8 | 147.8 | -103.1 | -21 | 0 | 0 | 0 | 121 | ||||
| 17 | G | 43.5 | Very low | 50 | Low | 54 Ų | 54 | 152.4 Ų | 152.4 | 56% | 0.557 | 79% | 0.791 | S | S | * | * | 133.3 | 83.5 | 127.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | K19 | G17-K19 PolarHBondContact O-N 3Š| |||
| 18 | N | 48 | Very low | 49.9 | Very low | 175 Ų | 175 | 150.3 Ų | 150.3 | 94% | 0.936 | 78% | 0.782 | S | S | * | * | trans | -45.9 | 107.1 | 160.6 | -61.7 | -30.7 | 0 | 0 | 0 | 111 | ||||
| 19 | K | 56.3 | Low | 49.1 | Very low | 190 Ų | 190 | 149.7 Ų | 149.7 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | trans | -120.9 | 99.5 | 169.9 | -74.8 | -177.6 | -178.4 | 174.5 | 0 | 110.2 | G17 I21 | G17-K19 PolarHBondContact O-N 3Å; K19-I21 PolarHBondContact O-N 3.46Å | ||
| 20 | K | 52 | Low | 49 | Very low | 196 Ų | 196 | 149 Ų | 149 | 85% | 0.852 | 78% | 0.777 | S | S | * | * | trans | -34.6 | 108.7 | 162.7 | -164.3 | 175.4 | -174.2 | -179.5 | 0 | 111.1 | H22 | K20-H22 PolarHBondContact O-N 3Š| ||
| 21 | I | 54.7 | Low | 48.7 | Very low | 150 Ų | 150 | 150.7 Ų | 150.7 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | -76 | 110.6 | 173 | -62 | 174.1 | 0 | 0 | 0 | 107.3 | K19 L23 | K19-I21 PolarHBondContact O-N 3.46Å; I21-L23 PolarHBondContact O-N 3.33Å | ||
| 22 | H | 45.9 | Very low | 49 | Very low | 160 Ų | 160 | 153.1 Ų | 153.1 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | trans | -67.2 | 108.7 | 170.4 | -117 | -72.3 | 0 | 0 | 0 | 108.9 | K20 I24 | K20-H22 PolarHBondContact O-N 3Å; H22-I24 PolarHBondContact O-N 2.98Å | ||
| 23 | L | 45.4 | Very low | 49 | Very low | 150 Ų | 150 | 152.8 Ų | 152.8 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -67.7 | 120 | 160.1 | -96.9 | 83.1 | 0 | 0 | 0 | 108 | I21 | I21-L23 PolarHBondContact O-N 3.33Š| ||
| 24 | I | 50.1 | Low | 49.1 | Very low | 133 Ų | 133 | 150.1 Ų | 150.1 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | trans | -108.7 | 108.5 | 164.5 | -69.3 | 173.7 | 0 | 0 | 0 | 106.2 | H22 I26 | H22-I24 PolarHBondContact O-N 2.98Å; I24-I26 HydrophobicContact CG2-CD1 3.91Å; I24-I26 HydrophobicContact CG2-CG1 3.84Å | ||
| 25 | N | 43.2 | Very low | 49.4 | Very low | 149 Ų | 149 | 145.4 Ų | 145.4 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | -70.7 | 117.2 | 164.2 | -93.6 | -15.3 | 0 | 0 | 0 | 108.4 | ||||
| 26 | I | 55.2 | Low | 49.8 | Very low | 143 Ų | 143 | 149.4 Ų | 149.4 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | -123.6 | 96 | 159.7 | -65.8 | 167.7 | 0 | 0 | 0 | 106.6 | I24 | I24-I26 HydrophobicContact CG2-CD1 3.91Å; I24-I26 HydrophobicContact CG2-CG1 3.84Å | ||
| 27 | E | 41.2 | Very low | 50.3 | Low | 181 Ų | 181 | 153.2 Ų | 153.2 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -81.1 | 109.4 | 170.3 | -170 | 165.1 | -151.1 | 0 | 0 | 107.5 | ||||
| 28 | S | 48.9 | Very low | 50.8 | Low | 98 Ų | 98 | 153.9 Ų | 153.9 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | trans | -164.7 | 85.9 | 173.2 | -70.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 29 | N | 45.7 | Very low | 51.5 | Low | 148 Ų | 148 | 157.3 Ų | 157.3 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | 15.5 | 108.6 | 138.3 | -58.7 | -26.5 | 0 | 0 | 0 | 118.6 | ||||
| 30 | N | 51.2 | Low | 52.1 | Low | 143 Ų | 143 | 157.9 Ų | 157.9 | 77% | 0.765 | 80% | 0.796 | S | S | * | * | 162.5 | 121.4 | 123.9 | -97.3 | -66.1 | 0 | 0 | 0 | 112.7 | |||||
| 31 | L | 46.4 | Very low | 52.8 | Low | 152 Ų | 152 | 151.1 Ų | 151.1 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | trans | 22.3 | 103.6 | 141.2 | -65.8 | 156.5 | 0 | 0 | 0 | 117.3 | ||||
| 32 | K | 55.4 | Low | 54 | Low | 196 Ų | 196 | 150.9 Ų | 150.9 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | trans | 178.5 | 97.1 | 139.8 | -96.3 | 155 | -168.8 | -176.9 | 0 | 108.8 | C34 | K32-C34 PolarHBondContact O-N 2.99Š| ||
| 33 | T | 51.7 | Low | 55.6 | Low | 153 Ų | 153 | 146.6 Ų | 146.6 | 94% | 0.939 | 76% | 0.764 | S | S | * | * | trans | -66.2 | 70.1 | 160.6 | 49.6 | 0 | 0 | 0 | 0 | 108.6 | S35 | T33-S35 PolarHBondContact O-N 3.26Š| ||
| 34 | C | 53.6 | Low | 57.5 | Low | 103 Ų | 103 | 142.7 Ų | 142.7 | 70% | 0.696 | 75% | 0.748 | S | S | * | * | trans | -81.5 | 103.7 | 178.6 | -152.3 | 0 | 0 | 0 | 0 | 108 | K32 K36 | K32-C34 PolarHBondContact O-N 2.99Å; C34-K36 PolarHBondContact O-N 3Å | ||
| 35 | S | 51.4 | Low | 59.1 | Low | 98 Ų | 98 | 141.4 Ų | 141.4 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | trans | -28.9 | 99 | 159.4 | 180 | 0 | 0 | 0 | 0 | 111.6 | T33 R37 | T33-S35 PolarHBondContact O-N 3.26Å; S35-R37 PolarHBondContact O-N 3.22Å | ||
| 36 | K | 60.2 | Low | 61.2 | Low | 214 Ų | 214 | 141 Ų | 141 | 93% | 0.93 | 74% | 0.742 | S | S | * | * | trans | -78.2 | 41.5 | 173 | -76.8 | -177.9 | 178.4 | 172.7 | 0 | 111.2 | C34 G38 | C34-K36 PolarHBondContact O-N 3Å; K36-G38 PolarHBondContact O-N 3.3Å | ||
| 37 | R | 56.2 | Low | 62.8 | Low | 232 Ų | 232 | 138.3 Ų | 138.3 | 88% | 0.875 | 73% | 0.728 | S | S | * | * | trans | -89.7 | 86.3 | 173 | -158.7 | -179.4 | -165 | -167.5 | 4.6 | 107.6 | S35 | S35-R37 PolarHBondContact O-N 3.22Š| ||
| 38 | G | 53.9 | Low | 65.1 | Low | 67 Ų | 67 | 134.2 Ų | 134.2 | 69% | 0.691 | 71% | 0.705 | S | S | * | * | trans | 168.2 | 8.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | K36 K40 | K36-G38 PolarHBondContact O-N 3.3Å; G38-K40 PolarHBondContact O-N 3.43Å | ||
| 39 | R | 64.1 | Low | 67.1 | Low | 248 Ų | 248 | 133.3 Ų | 133.3 | 94% | 0.936 | 69% | 0.69 | S | S | * | * | trans | -71.9 | 99.5 | 166 | -83.7 | -172 | 164.9 | 176.2 | -4.5 | 108.4 | S41 | R39-S41 PolarHBondContact O-N 2.91Š| ||
| 40 | K | 67.1 | Low | 69.3 | Low | 202 Ų | 202 | 130.5 Ų | 130.5 | 88% | 0.878 | 67% | 0.672 | S | S | * | * | trans | -50.9 | 113.7 | 166.7 | -67.1 | -178.2 | 178.7 | -177.9 | 0 | 106.3 | G38 T42 | G38-K40 PolarHBondContact O-N 3.43Å; K40-T42 PolarHBondContact O-N 3.22Å | ||
| 41 | S | 67.3 | Low | 71.3 | Confident | 53 Ų | 53 | 126.8 Ų | 126.8 | 37% | 0.371 | 66% | 0.655 | S | S | . | * | trans | -57 | 122.7 | 178.9 | 147.7 | 0 | 0 | 0 | 0 | 108.9 | R39 V43 R48 | R39-S41 PolarHBondContact O-N 2.91Å; S41-V43 PolarHBondContact O-N 2.97Å; S41-V43 VanDerWaalsContact OG-CB 3.28Å; S41-V43 WeakPolarHBondContact OG-CB 3.46Å; S41-V43 PolarHBondContact OG-N 3.29Å; S41-V43 PolarHBondContact OG-O 2.9Å; S41-R48 VanDerWaalsContact CB-NH2 3.3Å; S41-R48 PolarHBondContact O-NH2 3.48Å; S41-R48 VanDerWaalsContact O-NH2 3.14Å; S41-R48 PolarHBondContact OG-NH2 3.48Å; S41-R48 VanDerWaalsContact OG-NH2 3.12Å | ||
| 42 | T | 80.5 | Confident | 73.6 | Confident | 146 Ų | 146 | 127 Ų | 127 | 90% | 0.896 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -62.8 | -16.2 | 172 | -41.5 | 0 | 0 | 0 | 0 | 112.2 | K40 P44 | K40-T42 PolarHBondContact O-N 3.22Å; T42-P44 WeakPolarHBondContact O-CD 3.42Å |
| 43 | V | 78.9 | Confident | 75.5 | Confident | 69 Ų | 69 | 124.9 Ų | 124.9 | 42% | 0.418 | 63% | 0.632 | S | S | . | * | S | Bend | trans | -65.3 | 124.1 | 176.3 | -173.1 | 0 | 0 | 0 | 0 | 109.9 | S41 L47 R48 | S41-V43 PolarHBondContact O-N 2.97Å; S41-V43 VanDerWaalsContact OG-CB 3.28Å; S41-V43 WeakPolarHBondContact OG-CB 3.46Å; S41-V43 PolarHBondContact OG-N 3.29Å; S41-V43 PolarHBondContact OG-O 2.9Å; V43-L47 HydrophobicContact CG1-CB 3.68Å; V43-L47 HydrophobicContact CG1-CD1 4.44Å; V43-R48 PolarHBondContact O-NH2 3.32Å |
| 44 | P | 85.7 | Confident | 77.6 | Confident | 69 Ų | 69 | 122.8 Ų | 122.8 | 45% | 0.448 | 61% | 0.613 | S | S | . | * | trans | -45.5 | 140.3 | 173.4 | -30.9 | 34.7 | 0 | 0 | 0 | 112.5 | T42 E46 L47 R48 | T42-P44 WeakPolarHBondContact O-CD 3.42Å; P44-E46 PolarHBondContact O-N 3.45Å; P44-L47 HydrophobicContact CB-CD1 4.45Å; P44-L47 HydrophobicContact CB-CG 4.46Å; P44-L47 HydrophobicContact CG-CD1 4.15Å; P44-L47 PolarHBondContact O-N 3.11Å; P44-R48 PolarHBondContact O-N 3.09Å; P44-R48 VanDerWaalsContact O-N 3.08Å | ||
| 45 | P | 83.2 | Confident | 79.6 | Confident | 105 Ų | 105 | 124.4 Ų | 124.4 | 68% | 0.682 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -53.5 | -37.4 | -178.3 | -27.2 | 34.8 | 0 | 0 | 0 | 113.8 | R48 E49 | P45-R48 WeakPolarHBondContact O-CB 3.44Å; P45-R48 PolarHBondContact O-N 3.39Å; P45-E49 PolarHBondContact O-N 3.18Å |
| 46 | E | 87.7 | Confident | 81.7 | Confident | 141 Ų | 141 | 127.6 Ų | 127.6 | 66% | 0.659 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64.8 | -47.3 | 179.4 | -172 | 170.9 | -179.4 | 0 | 0 | 112.5 | P44 R48 E49 Q50 | P44-E46 PolarHBondContact O-N 3.45Å; E46-R48 VanDerWaalsContact C-N 3.28Å; E46-R48 PolarHBondContact O-N 2.94Å; E46-E49 PolarHBondContact O-N 2.84Å; E46-E49 VanDerWaalsContact O-N 3.16Å; E46-Q50 WeakPolarHBondContact O-CG 3.46Å; E46-Q50 PolarHBondContact O-N 3.49Å |
| 47 | L | 89.3 | Confident | 83.5 | Confident | 86 Ų | 86 | 122.6 Ų | 122.6 | 45% | 0.45 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.5 | -35.5 | 175.4 | -70.6 | 179.9 | 0 | 0 | 0 | 112.1 | V43 P44 E49 T51 | V43-L47 HydrophobicContact CG1-CB 3.68Å; V43-L47 HydrophobicContact CG1-CD1 4.44Å; P44-L47 HydrophobicContact CB-CD1 4.45Å; P44-L47 HydrophobicContact CB-CG 4.46Å; P44-L47 HydrophobicContact CG-CD1 4.15Å; P44-L47 PolarHBondContact O-N 3.11Å; L47-E49 VanDerWaalsContact C-N 3.33Å; L47-T51 WeakPolarHBondContact O-CB 3.44Å; L47-T51 PolarHBondContact O-N 3.43Å; L47-T51 PolarHBondContact O-OG1 2.98Å |
| 48 | R | 88.3 | Confident | 85.5 | Confident | 95 Ų | 95 | 115.9 Ų | 115.9 | 36% | 0.358 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.8 | -41.9 | 175.1 | -169.3 | -174.8 | -55.7 | 158.1 | 13.6 | 111.1 | S41 V43 P44 P45 E46 R52 | S41-R48 VanDerWaalsContact CB-NH2 3.3Å; S41-R48 PolarHBondContact O-NH2 3.48Å; S41-R48 VanDerWaalsContact O-NH2 3.14Å; S41-R48 PolarHBondContact OG-NH2 3.48Å; S41-R48 VanDerWaalsContact OG-NH2 3.12Å; V43-R48 PolarHBondContact O-NH2 3.32Å; P44-R48 PolarHBondContact O-N 3.09Å; P44-R48 VanDerWaalsContact O-N 3.08Å; P45-R48 WeakPolarHBondContact O-CB 3.44Å; P45-R48 PolarHBondContact O-N 3.39Å; E46-R48 VanDerWaalsContact C-N 3.28Å; E46-R48 PolarHBondContact O-N 2.94Å; R48-R52 VanDerWaalsContact O-CG 3.31Å; R48-R52 WeakPolarHBondContact O-CG 3.28Å; R48-R52 PolarHBondContact O-N 3.11Å |
| 49 | E | 90.6 | Very high | 87.5 | Confident | 79 Ų | 79 | 118.4 Ų | 118.4 | 37% | 0.369 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69.9 | -43.7 | 178.8 | -176.8 | 52.4 | -150.2 | 0 | 0 | 111.7 | P45 E46 L47 T51 R52 R53 | P45-E49 PolarHBondContact O-N 3.18Å; E46-E49 PolarHBondContact O-N 2.84Å; E46-E49 VanDerWaalsContact O-N 3.16Å; L47-E49 VanDerWaalsContact C-N 3.33Å; E49-T51 VanDerWaalsContact C-N 3.32Å; E49-T51 PolarHBondContact O-N 3.36Å; E49-R52 WeakPolarHBondContact O-CB 3.37Å; E49-R52 PolarHBondContact O-N 2.94Å; E49-R52 VanDerWaalsContact O-N 3.14Å; E49-R53 WeakPolarHBondContact O-CG 3.2Å; E49-R53 PolarHBondContact O-N 3.13Å; E49-R53 IonicContact OE1-CZ 3.94Å; E49-R53 IonicContact OE1-NE 3.55Å; E49-R53 PolarHBondContact OE1-NE 2.97Å; E49-R53 VanDerWaalsContact OE1-NE 3.11Å; E49-R53 IonicContact OE1-NH2 3.87Å |
| 50 | Q | 93.4 | Very high | 89.1 | Confident | 89 Ų | 89 | 109.4 Ų | 109.4 | 42% | 0.416 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -56.9 | -45.6 | 172.4 | -70 | 177.8 | 2.5 | 0 | 0 | 111.6 | E46 R52 R53 I54 | E46-Q50 WeakPolarHBondContact O-CG 3.46Å; E46-Q50 PolarHBondContact O-N 3.49Å; Q50-R52 VanDerWaalsContact C-N 3.34Å; Q50-R52 PolarHBondContact O-N 3.48Å; Q50-R53 PolarHBondContact O-N 3.23Å; Q50-I54 WeakPolarHBondContact O-CG1 3.46Å; Q50-I54 PolarHBondContact O-N 3.01Å |
| 51 | T | 93.3 | Very high | 90.5 | Very high | 66 Ų | 66 | 106.9 Ų | 106.9 | 41% | 0.405 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.3 | -40.4 | 176.6 | -56.9 | 0 | 0 | 0 | 0 | 111.9 | L47 E49 I54 K55 | L47-T51 WeakPolarHBondContact O-CB 3.44Å; L47-T51 PolarHBondContact O-N 3.43Å; L47-T51 PolarHBondContact O-OG1 2.98Å; E49-T51 VanDerWaalsContact C-N 3.32Å; E49-T51 PolarHBondContact O-N 3.36Å; T51-I54 PolarHBondContact O-N 3.41Å; T51-K55 HydrophobicContact CG2-CD 4.27Å; T51-K55 HydrophobicContact CG2-CG 4.45Å; T51-K55 WeakPolarHBondContact O-CB 3.29Å; T51-K55 WeakPolarHBondContact O-CG 3.49Å; T51-K55 PolarHBondContact O-N 3.45Å |
| 52 | R | 93.6 | Very high | 92 | Very high | 155 Ų | 155 | 107.6 Ų | 107.6 | 59% | 0.585 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.3 | -44.6 | 175.8 | -78.7 | 174.8 | 176.1 | -154.6 | -2.4 | 111.5 | R48 E49 Q50 K55 K56 | R48-R52 VanDerWaalsContact O-CG 3.31Å; R48-R52 WeakPolarHBondContact O-CG 3.28Å; R48-R52 PolarHBondContact O-N 3.11Å; E49-R52 WeakPolarHBondContact O-CB 3.37Å; E49-R52 PolarHBondContact O-N 2.94Å; E49-R52 VanDerWaalsContact O-N 3.14Å; Q50-R52 VanDerWaalsContact C-N 3.34Å; Q50-R52 PolarHBondContact O-N 3.48Å; R52-K55 PolarHBondContact O-N 3.47Å; R52-K56 WeakPolarHBondContact O-CB 3.46Å; R52-K56 PolarHBondContact O-N 2.97Å |
| 53 | R | 94.9 | Very high | 92.8 | Very high | 153 Ų | 153 | 105.1 Ų | 105.1 | 58% | 0.577 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60 | -46.9 | 176.3 | -68.3 | 174.2 | -173.1 | -172.9 | 1.2 | 111.4 | E49 Q50 K56 Q57 | E49-R53 WeakPolarHBondContact O-CG 3.2Å; E49-R53 PolarHBondContact O-N 3.13Å; E49-R53 IonicContact OE1-CZ 3.94Å; E49-R53 IonicContact OE1-NE 3.55Å; E49-R53 PolarHBondContact OE1-NE 2.97Å; E49-R53 VanDerWaalsContact OE1-NE 3.11Å; E49-R53 IonicContact OE1-NH2 3.87Å; Q50-R53 PolarHBondContact O-N 3.23Å; R53-K56 PolarHBondContact O-N 3.49Å; R53-Q57 WeakPolarHBondContact O-CG 3.48Å; R53-Q57 PolarHBondContact O-N 3.22Å |
| 54 | I | 95.8 | Very high | 93.7 | Very high | 108 Ų | 108 | 108.9 Ų | 108.9 | 55% | 0.554 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.1 | -46.5 | 177.5 | -66.5 | 165.5 | 0 | 0 | 0 | 111.2 | Q50 T51 K56 Q57 N58 | Q50-I54 WeakPolarHBondContact O-CG1 3.46Å; Q50-I54 PolarHBondContact O-N 3.01Å; T51-I54 PolarHBondContact O-N 3.41Å; I54-K56 VanDerWaalsContact C-N 3.34Å; I54-K56 PolarHBondContact O-N 3.38Å; I54-Q57 PolarHBondContact O-N 2.88Å; I54-N58 WeakPolarHBondContact O-CB 3.38Å; I54-N58 PolarHBondContact O-N 2.96Å |
| 55 | K | 96.3 | Very high | 94.3 | Very high | 137 Ų | 137 | 108.4 Ų | 108.4 | 60% | 0.596 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.9 | -42.7 | 176.9 | -76 | -176.8 | 177.4 | -172.9 | 0 | 111.9 | T51 R52 N58 I59 | T51-K55 HydrophobicContact CG2-CD 4.27Å; T51-K55 HydrophobicContact CG2-CG 4.45Å; T51-K55 WeakPolarHBondContact O-CB 3.29Å; T51-K55 WeakPolarHBondContact O-CG 3.49Å; T51-K55 PolarHBondContact O-N 3.45Å; R52-K55 PolarHBondContact O-N 3.47Å; K55-N58 PolarHBondContact O-N 2.84Å; K55-I59 VanDerWaalsContact O-CG1 3.3Å; K55-I59 WeakPolarHBondContact O-CG1 3.4Å; K55-I59 PolarHBondContact O-N 3.41Å |
| 56 | K | 96.5 | Very high | 95 | Very high | 166 Ų | 166 | 106.5 Ų | 106.5 | 72% | 0.722 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.7 | -46.1 | 176.5 | -173 | 179.1 | 179.7 | -177.1 | 0 | 111.3 | R52 R53 I54 E60 | R52-K56 WeakPolarHBondContact O-CB 3.46Å; R52-K56 PolarHBondContact O-N 2.97Å; R53-K56 PolarHBondContact O-N 3.49Å; I54-K56 VanDerWaalsContact C-N 3.34Å; I54-K56 PolarHBondContact O-N 3.38Å; K56-E60 PolarHBondContact O-N 3.36Å; K56-E60 VanDerWaalsContact O-N 3.12Å |
| 57 | Q | 97.1 | Very high | 95.4 | Very high | 108 Ų | 108 | 103.5 Ų | 103.5 | 51% | 0.505 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 175 | -72.9 | -177.3 | -4.5 | 0 | 0 | 112.2 | R53 I54 E60 R61 | R53-Q57 WeakPolarHBondContact O-CG 3.48Å; R53-Q57 PolarHBondContact O-N 3.22Å; I54-Q57 PolarHBondContact O-N 2.88Å; Q57-E60 PolarHBondContact O-N 2.99Å; Q57-R61 WeakPolarHBondContact O-CG 3.33Å; Q57-R61 PolarHBondContact O-N 2.86Å |
| 58 | N | 97.5 | Very high | 95.8 | Very high | 91 Ų | 91 | 101.8 Ų | 101.8 | 49% | 0.487 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.8 | -41.1 | -179.4 | -167.4 | 15.8 | 0 | 0 | 0 | 112.5 | I54 K55 E60 R61 S62 | I54-N58 WeakPolarHBondContact O-CB 3.38Å; I54-N58 PolarHBondContact O-N 2.96Å; K55-N58 PolarHBondContact O-N 2.84Å; N58-E60 VanDerWaalsContact C-N 3.31Å; N58-E60 PolarHBondContact O-N 3.4Å; N58-R61 PolarHBondContact O-N 3.5Å; N58-S62 WeakPolarHBondContact O-CB 3.49Å; N58-S62 PolarHBondContact O-N 3.34Å; N58-S62 PolarHBondContact O-OG 3.03Å |
| 59 | I | 96 | Very high | 96.2 | Very high | 120 Ų | 120 | 102 Ų | 102 | 62% | 0.615 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.3 | -45.2 | 173.3 | -70.2 | 167.5 | 0 | 0 | 0 | 110.2 | K55 S62 R63 | K55-I59 VanDerWaalsContact O-CG1 3.3Å; K55-I59 WeakPolarHBondContact O-CG1 3.4Å; K55-I59 PolarHBondContact O-N 3.41Å; I59-S62 PolarHBondContact O-N 2.87Å; I59-R63 PolarHBondContact O-N 2.92Å |
| 60 | E | 97.5 | Very high | 96.5 | Very high | 59 Ų | 59 | 104.8 Ų | 104.8 | 28% | 0.276 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.5 | -41.4 | 178.3 | 176.7 | 55.1 | -160.1 | 0 | 0 | 112.5 | K56 Q57 N58 S62 R63 R64 | K56-E60 PolarHBondContact O-N 3.36Å; K56-E60 VanDerWaalsContact O-N 3.12Å; Q57-E60 PolarHBondContact O-N 2.99Å; N58-E60 VanDerWaalsContact C-N 3.31Å; N58-E60 PolarHBondContact O-N 3.4Å; E60-S62 VanDerWaalsContact C-N 3.31Å; E60-S62 PolarHBondContact O-N 2.9Å; E60-R63 WeakPolarHBondContact O-CB 3.5Å; E60-R63 PolarHBondContact O-N 3.22Å; E60-R63 IonicContact OE1-CZ 3.74Å; E60-R63 IonicContact OE1-NE 2.91Å; E60-R63 PolarHBondContact OE1-NE 3Å; E60-R63 IonicContact OE1-NH2 3.65Å; E60-R63 PolarHBondContact OE1-NH2 2.9Å; E60-R63 IonicContact OE2-CZ 2.76Å; E60-R63 IonicContact OE2-NE 3.51Å; E60-R63 PolarHBondContact OE2-NE 3.47Å; E60-R63 IonicContact OE2-NH2 2.74Å; E60-R64 WeakPolarHBondContact O-CG 3.35Å; E60-R64 PolarHBondContact O-N 3.39Å; E60-R64 WeakPolarHBondContact OE1-CG 3.38Å; E60-R64 IonicContact OE1-CZ 3.57Å; E60-R64 IonicContact OE1-NE 3.11Å; E60-R64 PolarHBondContact OE1-NE 3.24Å; E60-R64 IonicContact OE1-NH2 2.78Å |
| 61 | R | 97.7 | Very high | 96.7 | Very high | 149 Ų | 149 | 106.2 Ų | 106.2 | 56% | 0.562 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.8 | -44.6 | 173.3 | -72.4 | 177.7 | -163.4 | 164.5 | 5.2 | 111.2 | Q57 N58 R63 R64 A65 | Q57-R61 WeakPolarHBondContact O-CG 3.33Å; Q57-R61 PolarHBondContact O-N 2.86Å; N58-R61 PolarHBondContact O-N 3.5Å; R61-R63 PolarHBondContact O-N 3.08Å; R61-R64 PolarHBondContact O-N 3.29Å; R61-A65 PolarHBondContact O-N 3.17Å |
| 62 | S | 97.8 | Very high | 96.7 | Very high | 69 Ų | 69 | 105.9 Ų | 105.9 | 48% | 0.483 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 177 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | N58 I59 E60 A65 C66 | N58-S62 WeakPolarHBondContact O-CB 3.49Å; N58-S62 PolarHBondContact O-N 3.34Å; N58-S62 PolarHBondContact O-OG 3.03Å; I59-S62 PolarHBondContact O-N 2.87Å; E60-S62 VanDerWaalsContact C-N 3.31Å; E60-S62 PolarHBondContact O-N 2.9Å; S62-A65 PolarHBondContact O-N 3.12Å; S62-C66 PolarHBondContact O-N 3.23Å |
| 63 | R | 98.3 | Very high | 96.7 | Very high | 93 Ų | 93 | 102.8 Ų | 102.8 | 35% | 0.351 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.2 | -46.2 | 174.4 | -169 | -167.8 | 71.1 | 85.9 | 3.5 | 111.5 | I59 E60 R61 C66 I67 | I59-R63 PolarHBondContact O-N 2.92Å; E60-R63 WeakPolarHBondContact O-CB 3.5Å; E60-R63 PolarHBondContact O-N 3.22Å; E60-R63 IonicContact OE1-CZ 3.74Å; E60-R63 IonicContact OE1-NE 2.91Å; E60-R63 PolarHBondContact OE1-NE 3Å; E60-R63 IonicContact OE1-NH2 3.65Å; E60-R63 PolarHBondContact OE1-NH2 2.9Å; E60-R63 IonicContact OE2-CZ 2.76Å; E60-R63 IonicContact OE2-NE 3.51Å; E60-R63 PolarHBondContact OE2-NE 3.47Å; E60-R63 IonicContact OE2-NH2 2.74Å; R61-R63 PolarHBondContact O-N 3.08Å; R63-C66 PolarHBondContact O-N 3.26Å; R63-I67 HydrophobicContact CG-CD1 4.41Å; R63-I67 WeakPolarHBondContact O-CG1 3.38Å; R63-I67 PolarHBondContact O-N 3.13Å |
| 64 | R | 98 | Very high | 96.8 | Very high | 148 Ų | 148 | 100.6 Ų | 100.6 | 56% | 0.558 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.5 | -43.9 | 177.8 | -70.7 | -179.6 | -175.6 | -161.9 | -0.2 | 112.1 | E60 R61 C66 I67 A68 | E60-R64 WeakPolarHBondContact O-CG 3.35Å; E60-R64 PolarHBondContact O-N 3.39Å; E60-R64 WeakPolarHBondContact OE1-CG 3.38Å; E60-R64 IonicContact OE1-CZ 3.57Å; E60-R64 IonicContact OE1-NE 3.11Å; E60-R64 PolarHBondContact OE1-NE 3.24Å; E60-R64 IonicContact OE1-NH2 2.78Å; R61-R64 PolarHBondContact O-N 3.29Å; R64-C66 VanDerWaalsContact C-N 3.33Å; R64-C66 PolarHBondContact O-N 2.93Å; R64-I67 PolarHBondContact O-N 3.03Å; R64-A68 WeakPolarHBondContact O-CB 3.34Å; R64-A68 PolarHBondContact O-N 2.71Å |
| 65 | A | 97.3 | Very high | 96.6 | Very high | 60 Ų | 60 | 99.5 Ų | 99.5 | 50% | 0.496 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60 | -42.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R61 S62 I67 A68 N69 | R61-A65 PolarHBondContact O-N 3.17Å; S62-A65 PolarHBondContact O-N 3.12Å; A65-I67 PolarHBondContact O-N 2.93Å; A65-A68 PolarHBondContact O-N 2.93Å; A65-N69 WeakPolarHBondContact O-CB 3.41Å; A65-N69 PolarHBondContact O-N 2.91Å |
| 66 | C | 97.7 | Very high | 96.3 | Very high | 65 Ų | 65 | 97.2 Ų | 97.2 | 44% | 0.439 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 175.8 | -179.5 | 0 | 0 | 0 | 0 | 112.4 | S62 R63 R64 N69 K70 | S62-C66 PolarHBondContact O-N 3.23Å; R63-C66 PolarHBondContact O-N 3.26Å; R64-C66 VanDerWaalsContact C-N 3.33Å; R64-C66 PolarHBondContact O-N 2.93Å; C66-N69 PolarHBondContact O-N 2.85Å; C66-K70 WeakPolarHBondContact O-CG 3.49Å; C66-K70 PolarHBondContact O-N 3.27Å |
| 67 | I | 97.5 | Very high | 96.2 | Very high | 77 Ų | 77 | 93.9 Ų | 93.9 | 40% | 0.395 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.7 | -46.8 | 176.5 | -69.1 | 170.1 | 0 | 0 | 0 | 111 | R63 R64 A65 N69 K70 M71 | R63-I67 HydrophobicContact CG-CD1 4.41Å; R63-I67 WeakPolarHBondContact O-CG1 3.38Å; R63-I67 PolarHBondContact O-N 3.13Å; R64-I67 PolarHBondContact O-N 3.03Å; A65-I67 PolarHBondContact O-N 2.93Å; I67-N69 VanDerWaalsContact C-N 3.27Å; I67-N69 PolarHBondContact O-N 3.02Å; I67-K70 PolarHBondContact O-N 3.05Å; I67-M71 HydrophobicContact CG2-CG 4.36Å; I67-M71 WeakPolarHBondContact O-CG 3Å; I67-M71 PolarHBondContact O-N 3.23Å |
| 68 | A | 96.6 | Very high | 96 | Very high | 50 Ų | 50 | 90.7 Ų | 90.7 | 41% | 0.413 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.5 | -39.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | R64 A65 M71 S72 | R64-A68 WeakPolarHBondContact O-CB 3.34Å; R64-A68 PolarHBondContact O-N 2.71Å; A65-A68 PolarHBondContact O-N 2.93Å; A68-M71 PolarHBondContact O-N 3.19Å; A68-S72 WeakPolarHBondContact O-CB 3.49Å; A68-S72 PolarHBondContact O-N 2.94Å; A68-S72 PolarHBondContact O-OG 3.28Å |
| 69 | N | 96.4 | Very high | 95.6 | Very high | 99 Ų | 99 | 87.7 Ų | 87.7 | 53% | 0.529 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.1 | -49.6 | 175.2 | -166.7 | 43 | 0 | 0 | 0 | 111.2 | A65 C66 I67 M71 S72 E73 | A65-N69 WeakPolarHBondContact O-CB 3.41Å; A65-N69 PolarHBondContact O-N 2.91Å; C66-N69 PolarHBondContact O-N 2.85Å; I67-N69 VanDerWaalsContact C-N 3.27Å; I67-N69 PolarHBondContact O-N 3.02Å; N69-M71 VanDerWaalsContact C-N 3.33Å; N69-M71 PolarHBondContact O-N 3.04Å; N69-S72 WeakPolarHBondContact O-CB 3.36Å; N69-S72 PolarHBondContact O-N 3.42Å; N69-S72 VanDerWaalsContact O-N 3.12Å; N69-E73 WeakPolarHBondContact O-CG 3.41Å; N69-E73 PolarHBondContact O-N 2.95Å |
| 70 | K | 97.7 | Very high | 95.3 | Very high | 139 Ų | 139 | 87 Ų | 87 | 60% | 0.604 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -59.7 | -41.9 | 177.3 | -70.7 | -175.5 | 178.3 | -172.9 | 0 | 112.7 | C66 I67 S72 E73 L74 | C66-K70 WeakPolarHBondContact O-CG 3.49Å; C66-K70 PolarHBondContact O-N 3.27Å; I67-K70 PolarHBondContact O-N 3.05Å; K70-S72 VanDerWaalsContact C-N 3.31Å; K70-S72 PolarHBondContact O-N 3.25Å; K70-E73 PolarHBondContact O-N 3.18Å; K70-L74 WeakPolarHBondContact O-CG 3.38Å; K70-L74 PolarHBondContact O-N 3.28Å |
| 71 | M | 97.1 | Very high | 95 | Very high | 119 Ų | 119 | 90.9 Ų | 90.9 | 59% | 0.586 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63 | -39.6 | 176 | -73.1 | -56.8 | -59 | 0 | 0 | 111.9 | I67 A68 N69 L74 H75 | I67-M71 HydrophobicContact CG2-CG 4.36Å; I67-M71 WeakPolarHBondContact O-CG 3Å; I67-M71 PolarHBondContact O-N 3.23Å; A68-M71 PolarHBondContact O-N 3.19Å; N69-M71 VanDerWaalsContact C-N 3.33Å; N69-M71 PolarHBondContact O-N 3.04Å; M71-L74 PolarHBondContact O-N 2.85Å; M71-L74 HydrophobicContact SD-CD1 4.49Å; M71-H75 WeakPolarHBondContact O-CB 3.43Å; M71-H75 PolarHBondContact O-N 3.45Å |
| 72 | S | 93.1 | Very high | 94.7 | Very high | 59 Ų | 59 | 89.2 Ų | 89.2 | 41% | 0.413 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.7 | -41.5 | 176.7 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | A68 N69 K70 H75 K76 | A68-S72 WeakPolarHBondContact O-CB 3.49Å; A68-S72 PolarHBondContact O-N 2.94Å; A68-S72 PolarHBondContact O-OG 3.28Å; N69-S72 WeakPolarHBondContact O-CB 3.36Å; N69-S72 PolarHBondContact O-N 3.42Å; N69-S72 VanDerWaalsContact O-N 3.12Å; K70-S72 VanDerWaalsContact C-N 3.31Å; K70-S72 PolarHBondContact O-N 3.25Å; S72-H75 PolarHBondContact O-N 3.4Å; S72-K76 VanDerWaalsContact O-CG 3.29Å; S72-K76 WeakPolarHBondContact O-CG 3.43Å; S72-K76 PolarHBondContact O-N 2.98Å |
| 73 | E | 94.5 | Very high | 94.1 | Very high | 89 Ų | 89 | 88.9 Ų | 88.9 | 42% | 0.416 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66 | -40.8 | 176 | -65.8 | -51.5 | 120.4 | 0 | 0 | 112.6 | N69 K70 H75 K76 L77 | N69-E73 WeakPolarHBondContact O-CG 3.41Å; N69-E73 PolarHBondContact O-N 2.95Å; K70-E73 PolarHBondContact O-N 3.18Å; E73-H75 VanDerWaalsContact C-N 3.33Å; E73-H75 PolarHBondContact O-N 3.48Å; E73-K76 PolarHBondContact O-N 2.8Å; E73-K76 IonicContact OE1-NZ 3.09Å; E73-K76 PolarHBondContact OE1-NZ 3.35Å; E73-L77 WeakPolarHBondContact O-CB 3.17Å; E73-L77 PolarHBondContact O-N 3.29Å |
| 74 | L | 95.9 | Very high | 93.3 | Very high | 107 Ų | 107 | 88 Ų | 88 | 56% | 0.56 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.4 | -41.4 | 173.1 | -73.1 | 174.6 | 0 | 0 | 0 | 111.9 | K70 M71 L77 A78 | K70-L74 WeakPolarHBondContact O-CG 3.38Å; K70-L74 PolarHBondContact O-N 3.28Å; M71-L74 PolarHBondContact O-N 2.85Å; M71-L74 HydrophobicContact SD-CD1 4.49Å; L74-L77 PolarHBondContact O-N 3.38Å; L74-A78 WeakPolarHBondContact O-CB 3.42Å; L74-A78 PolarHBondContact O-N 3.47Å |
| 75 | H | 92.1 | Very high | 92.1 | Very high | 85 Ų | 85 | 85 Ų | 85 | 39% | 0.394 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.1 | -46 | 175.1 | -178.9 | -94.4 | 0 | 0 | 0 | 111.4 | M71 S72 E73 L77 A78 M79 Q89 | M71-H75 WeakPolarHBondContact O-CB 3.43Å; M71-H75 PolarHBondContact O-N 3.45Å; S72-H75 PolarHBondContact O-N 3.4Å; E73-H75 VanDerWaalsContact C-N 3.33Å; E73-H75 PolarHBondContact O-N 3.48Å; H75-L77 VanDerWaalsContact C-N 3.34Å; H75-L77 PolarHBondContact O-N 3.43Å; H75-A78 PolarHBondContact O-N 2.96Å; H75-M79 WeakPolarHBondContact O-CG 3.4Å; H75-M79 PolarHBondContact O-N 3.36Å; H75-Q89 PolarHBondContact CE1-OE1 3.48Å |
| 76 | K | 89.9 | Confident | 90.8 | Very high | 89 Ų | 89 | 85.2 Ų | 85.2 | 39% | 0.387 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.6 | -46.3 | 175.9 | -69.8 | 168.8 | -178.7 | 174.3 | 0 | 111.8 | S72 E73 A78 M79 N80 I86 | S72-K76 VanDerWaalsContact O-CG 3.29Å; S72-K76 WeakPolarHBondContact O-CG 3.43Å; S72-K76 PolarHBondContact O-N 2.98Å; E73-K76 PolarHBondContact O-N 2.8Å; E73-K76 IonicContact OE1-NZ 3.09Å; E73-K76 PolarHBondContact OE1-NZ 3.35Å; K76-A78 PolarHBondContact O-N 3.4Å; K76-M79 PolarHBondContact O-N 3.16Å; K76-N80 WeakPolarHBondContact O-CB 3.45Å; K76-N80 PolarHBondContact O-N 3.02Å; K76-N80 PolarHBondContact O-ND2 3.36Å; K76-N80 PolarHBondContact O-OD1 3.27Å; K76-I86 HydrophobicContact CB-CD1 3.65Å; K76-I86 HydrophobicContact CG-CD1 3.47Å; K76-I86 VanDerWaalsContact CG-CD1 3.47Å |
| 77 | L | 93.9 | Very high | 89.4 | Confident | 97 Ų | 97 | 87.3 Ų | 87.3 | 51% | 0.508 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.1 | -45.1 | 177.1 | 179.8 | 62.6 | 0 | 0 | 0 | 111.6 | E73 L74 H75 N80 L81 | E73-L77 WeakPolarHBondContact O-CB 3.17Å; E73-L77 PolarHBondContact O-N 3.29Å; L74-L77 PolarHBondContact O-N 3.38Å; H75-L77 VanDerWaalsContact C-N 3.34Å; H75-L77 PolarHBondContact O-N 3.43Å; L77-N80 PolarHBondContact O-N 3.2Å; L77-L81 HydrophobicContact CD1-CG 4.49Å; L77-L81 HydrophobicContact CG-CD1 4.25Å; L77-L81 WeakPolarHBondContact O-CG 3.32Å; L77-L81 PolarHBondContact O-N 2.97Å |
| 78 | A | 93.2 | Very high | 87.7 | Confident | 41 Ų | 41 | 89.9 Ų | 89.9 | 34% | 0.339 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L74 H75 K76 L81 I82 | L74-A78 WeakPolarHBondContact O-CB 3.42Å; L74-A78 PolarHBondContact O-N 3.47Å; H75-A78 PolarHBondContact O-N 2.96Å; K76-A78 PolarHBondContact O-N 3.4Å; A78-L81 PolarHBondContact O-N 3.4Å; A78-I82 VanDerWaalsContact O-CG1 3.32Å; A78-I82 WeakPolarHBondContact O-CG1 3.38Å; A78-I82 PolarHBondContact O-N 3.47Å; A78-I82 VanDerWaalsContact O-N 3.1Å |
| 79 | M | 89 | Confident | 86 | Confident | 28 Ų | 28 | 91.9 Ų | 91.9 | 14% | 0.138 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 176.5 | -67.2 | -57.8 | 113.5 | 0 | 0 | 111.7 | H75 K76 L81 I82 G83 I84 I86 | H75-M79 WeakPolarHBondContact O-CG 3.4Å; H75-M79 PolarHBondContact O-N 3.36Å; K76-M79 PolarHBondContact O-N 3.16Å; M79-L81 VanDerWaalsContact C-N 3.29Å; M79-L81 PolarHBondContact O-N 2.79Å; M79-I82 HydrophobicContact CE-CD1 4.15Å; M79-I82 PolarHBondContact O-N 2.93Å; M79-G83 PolarHBondContact O-N 3.41Å; M79-I84 CarbonylContact C-O 3.59Å; M79-I84 PolarHBondContact O-N 3.3Å; M79-I84 VanDerWaalsContact O-N 3.08Å; M79-I86 HydrophobicContact CB-CD1 4.25Å; M79-I86 HydrophobicContact CB-CG1 3.71Å; M79-I86 HydrophobicContact CG-CG1 4.11Å |
| 80 | N | 89.3 | Confident | 84.3 | Confident | 106 Ų | 106 | 94.6 Ų | 94.6 | 57% | 0.567 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.2 | -37.7 | 175.3 | -68.9 | -10.7 | 0 | 0 | 0 | 112.2 | K76 L77 G83 | K76-N80 WeakPolarHBondContact O-CB 3.45Å; K76-N80 PolarHBondContact O-N 3.02Å; K76-N80 PolarHBondContact O-ND2 3.36Å; K76-N80 PolarHBondContact O-OD1 3.27Å; L77-N80 PolarHBondContact O-N 3.2Å; N80-G83 PolarHBondContact O-N 3.1Å |
| 81 | L | 92.3 | Very high | 82.7 | Confident | 139 Ų | 139 | 96.2 Ų | 96.2 | 73% | 0.728 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -69.4 | -34.4 | 177.3 | -75 | 171.4 | 0 | 0 | 0 | 113.2 | L77 A78 M79 | L77-L81 HydrophobicContact CD1-CG 4.49Å; L77-L81 HydrophobicContact CG-CD1 4.25Å; L77-L81 WeakPolarHBondContact O-CG 3.32Å; L77-L81 PolarHBondContact O-N 2.97Å; A78-L81 PolarHBondContact O-N 3.4Å; M79-L81 VanDerWaalsContact C-N 3.29Å; M79-L81 PolarHBondContact O-N 2.79Å |
| 82 | I | 90.2 | Very high | 81.3 | Confident | 115 Ų | 115 | 93.7 Ų | 93.7 | 59% | 0.59 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -76.3 | -19.2 | 175.5 | -59.7 | 163.7 | 0 | 0 | 0 | 110.6 | A78 M79 I84 | A78-I82 VanDerWaalsContact O-CG1 3.32Å; A78-I82 WeakPolarHBondContact O-CG1 3.38Å; A78-I82 PolarHBondContact O-N 3.47Å; A78-I82 VanDerWaalsContact O-N 3.1Å; M79-I82 HydrophobicContact CE-CD1 4.15Å; M79-I82 PolarHBondContact O-N 2.93Å; I82-I84 HydrophobicContact CB-CD1 4.39Å; I82-I84 HydrophobicContact CB-CG1 4.43Å; I82-I84 HydrophobicContact CG2-CD1 3.61Å; I82-I84 HydrophobicContact CG2-CG1 3.85Å |
| 83 | G | 86.9 | Confident | 80.3 | Confident | 62 Ų | 62 | 96.9 Ų | 96.9 | 64% | 0.639 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.9 | 19.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | M79 N80 | M79-G83 PolarHBondContact O-N 3.41Å; N80-G83 PolarHBondContact O-N 3.1Å |
| 84 | I | 80.5 | Confident | 79.6 | Confident | 75 Ų | 75 | 101.3 Ų | 101.3 | 39% | 0.385 | 53% | 0.528 | S | S | . | . | trans | -93.7 | 123.4 | 175 | -62.6 | 169.9 | 0 | 0 | 0 | 108.1 | M79 I82 I86 | M79-I84 CarbonylContact C-O 3.59Å; M79-I84 PolarHBondContact O-N 3.3Å; M79-I84 VanDerWaalsContact O-N 3.08Å; I82-I84 HydrophobicContact CB-CD1 4.39Å; I82-I84 HydrophobicContact CB-CG1 4.43Å; I82-I84 HydrophobicContact CG2-CD1 3.61Å; I82-I84 HydrophobicContact CG2-CG1 3.85Å; I84-I86 PolarHBondContact O-N 3.04Å | ||
| 85 | N | 74.2 | Confident | 78.9 | Confident | 85 Ų | 85 | 101.1 Ų | 101.1 | 46% | 0.455 | 53% | 0.531 | S | S | . | . | trans | -70.4 | 126.2 | 174.3 | -69.5 | -49.2 | 0 | 0 | 0 | 109.7 | S87 E88 Q89 | N85-S87 PolarHBondContact O-N 3.4Å; N85-S87 VanDerWaalsContact O-N 3.17Å; N85-E88 HydrophobicContact CB-CB 4.3Å; N85-E88 HydrophobicContact CB-CG 3.97Å; N85-E88 PolarHBondContact ND2-OE1 3.27Å; N85-E88 WeakPolarHBondContact O-CA 3.27Å; N85-E88 WeakPolarHBondContact O-CB 3.42Å; N85-E88 PolarHBondContact O-N 2.91Å; N85-Q89 PolarHBondContact O-N 2.89Å | ||
| 86 | I | 68.5 | Low | 78.6 | Confident | 64 Ų | 64 | 101 Ų | 101 | 33% | 0.328 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -27.7 | 177.9 | -56.4 | 171.9 | 0 | 0 | 0 | 111 | K76 M79 I84 E88 Q89 | K76-I86 HydrophobicContact CB-CD1 3.65Å; K76-I86 HydrophobicContact CG-CD1 3.47Å; K76-I86 VanDerWaalsContact CG-CD1 3.47Å; M79-I86 HydrophobicContact CB-CD1 4.25Å; M79-I86 HydrophobicContact CB-CG1 3.71Å; M79-I86 HydrophobicContact CG-CG1 4.11Å; I84-I86 PolarHBondContact O-N 3.04Å; I86-E88 VanDerWaalsContact C-N 3.28Å; I86-E88 PolarHBondContact O-N 3.44Å; I86-Q89 PolarHBondContact O-N 3.49Å |
| 87 | S | 68.3 | Low | 78.5 | Confident | 108 Ų | 108 | 100.2 Ų | 100.2 | 76% | 0.755 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -28.2 | 173.1 | 53.8 | 0 | 0 | 0 | 0 | 113.4 | N85 | N85-S87 PolarHBondContact O-N 3.4Å; N85-S87 VanDerWaalsContact O-N 3.17Å |
| 88 | E | 62.5 | Low | 78.4 | Confident | 132 Ų | 132 | 101.5 Ų | 101.5 | 62% | 0.617 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -19.8 | 175.2 | -68.4 | 169.8 | -152.2 | 0 | 0 | 111.7 | N85 I86 Q90 | N85-E88 HydrophobicContact CB-CB 4.3Å; N85-E88 HydrophobicContact CB-CG 3.97Å; N85-E88 PolarHBondContact ND2-OE1 3.27Å; N85-E88 WeakPolarHBondContact O-CA 3.27Å; N85-E88 WeakPolarHBondContact O-CB 3.42Å; N85-E88 PolarHBondContact O-N 2.91Å; I86-E88 VanDerWaalsContact C-N 3.28Å; I86-E88 PolarHBondContact O-N 3.44Å; E88-Q90 PolarHBondContact O-N 2.97Å |
| 89 | Q | 61.3 | Low | 78.4 | Confident | 91 Ų | 91 | 101.3 Ų | 101.3 | 43% | 0.425 | 54% | 0.541 | S | S | . | . | trans | -76 | 78.3 | 171.2 | -161.7 | 175.9 | 20 | 0 | 0 | 109.2 | H75 N85 I86 K91 | H75-Q89 PolarHBondContact CE1-OE1 3.48Å; N85-Q89 PolarHBondContact O-N 2.89Å; I86-Q89 PolarHBondContact O-N 3.49Å; Q89-K91 PolarHBondContact O-N 3.36Å; Q89-K91 VanDerWaalsContact O-N 3.13Å | ||
| 90 | Q | 61.2 | Low | 78.5 | Confident | 157 Ų | 157 | 105.1 Ų | 105.1 | 73% | 0.734 | 56% | 0.56 | S | S | * | * | trans | -50.3 | 125.6 | 159.3 | -68.4 | -173.1 | -21.8 | 0 | 0 | 106.7 | E88 T92 | E88-Q90 PolarHBondContact O-N 2.97Å; Q90-T92 PolarHBondContact O-N 3.25Å | ||
| 91 | K | 64 | Low | 78.8 | Confident | 172 Ų | 172 | 102.7 Ų | 102.7 | 75% | 0.748 | 55% | 0.55 | S | S | * | * | trans | -63.7 | 83.5 | 162.5 | -73.2 | 177.1 | -177.3 | 166.5 | 0 | 105.4 | Q89 E93 | Q89-K91 PolarHBondContact O-N 3.36Å; Q89-K91 VanDerWaalsContact O-N 3.13Å; K91-E93 PolarHBondContact O-N 2.93Å | ||
| 92 | T | 66.2 | Low | 78.9 | Confident | 66 Ų | 66 | 103.2 Ų | 103.2 | 41% | 0.405 | 54% | 0.544 | S | S | . | . | trans | -55.8 | 112.5 | 171.1 | 50.7 | 0 | 0 | 0 | 0 | 105 | Q90 | Q90-T92 PolarHBondContact O-N 3.25Š| ||
| 93 | E | 73.3 | Confident | 79.1 | Confident | 127 Ų | 127 | 101.7 Ų | 101.7 | 59% | 0.593 | 53% | 0.534 | S | S | * | . | trans | -61.6 | 154.8 | -179 | -65.9 | -167.3 | 166.9 | 0 | 0 | 107.8 | K91 V95 D96 I97 | K91-E93 PolarHBondContact O-N 2.93Å; E93-V95 PolarHBondContact O-N 2.74Å; E93-D96 PolarHBondContact N-OD2 3Å; E93-D96 WeakPolarHBondContact O-CB 3.47Å; E93-D96 PolarHBondContact O-N 2.79Å; E93-I97 PolarHBondContact O-N 2.91Å | ||
| 94 | K | 78.2 | Confident | 79.6 | Confident | 181 Ų | 181 | 102.8 Ų | 102.8 | 79% | 0.787 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -52.4 | -32.5 | 174.6 | -69.9 | -176.4 | 178.9 | 180 | 0 | 110.9 | L98 | K94-L98 WeakPolarHBondContact O-CB 3.24Å; K94-L98 WeakPolarHBondContact O-CD1 3.38Å; K94-L98 WeakPolarHBondContact O-CG 3.32Å; K94-L98 PolarHBondContact O-N 2.93Å |
| 95 | V | 81.4 | Confident | 80.3 | Confident | 103 Ų | 103 | 106 Ų | 106 | 62% | 0.624 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.6 | -44.2 | 175.7 | -175.7 | 0 | 0 | 0 | 0 | 111.6 | E93 L98 G99 | E93-V95 PolarHBondContact O-N 2.74Å; V95-L98 PolarHBondContact O-N 3.25Å; V95-G99 PolarHBondContact O-N 3.33Å |
| 96 | D | 85.9 | Confident | 81.3 | Confident | 82 Ų | 82 | 106.3 Ų | 106.3 | 44% | 0.439 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 177.9 | -58.7 | -32.8 | 0 | 0 | 0 | 111.5 | E93 L98 G99 M100 | E93-D96 PolarHBondContact N-OD2 3Å; E93-D96 WeakPolarHBondContact O-CB 3.47Å; E93-D96 PolarHBondContact O-N 2.79Å; D96-L98 VanDerWaalsContact C-N 3.3Å; D96-L98 PolarHBondContact O-N 3.33Å; D96-G99 PolarHBondContact O-N 3.04Å; D96-M100 WeakPolarHBondContact O-CG 3.43Å; D96-M100 PolarHBondContact O-N 2.68Å |
| 97 | I | 89.3 | Confident | 82.6 | Confident | 74 Ų | 74 | 108 Ų | 108 | 38% | 0.379 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.8 | -45 | 176.4 | -59.8 | 173.5 | 0 | 0 | 0 | 110.2 | E93 M100 C101 | E93-I97 PolarHBondContact O-N 2.91Å; I97-M100 HydrophobicContact CB-CE 4.44Å; I97-M100 HydrophobicContact CG1-CE 4.23Å; I97-M100 PolarHBondContact O-N 3.25Å; I97-C101 WeakPolarHBondContact O-CB 3.33Å; I97-C101 PolarHBondContact O-N 2.94Å; I97-C101 PolarHBondContact O-SG 3.34Å |
| 98 | L | 91.7 | Very high | 83.8 | Confident | 124 Ų | 124 | 105.8 Ų | 105.8 | 65% | 0.649 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.3 | -40 | 176.7 | -72.5 | 168.8 | 0 | 0 | 0 | 111.9 | K94 V95 D96 C101 Y102 | K94-L98 WeakPolarHBondContact O-CB 3.24Å; K94-L98 WeakPolarHBondContact O-CD1 3.38Å; K94-L98 WeakPolarHBondContact O-CG 3.32Å; K94-L98 PolarHBondContact O-N 2.93Å; V95-L98 PolarHBondContact O-N 3.25Å; D96-L98 VanDerWaalsContact C-N 3.3Å; D96-L98 PolarHBondContact O-N 3.33Å; L98-C101 PolarHBondContact O-N 3.36Å; L98-Y102 WeakPolarHBondContact O-CB 3.48Å; L98-Y102 PolarHBondContact O-N 2.96Å |
| 99 | G | 91.9 | Very high | 85.2 | Confident | 37 Ų | 37 | 101.7 Ų | 101.7 | 38% | 0.381 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.4 | -47.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | V95 D96 C101 Y102 E103 | V95-G99 PolarHBondContact O-N 3.33Å; D96-G99 PolarHBondContact O-N 3.04Å; G99-C101 PolarHBondContact O-N 3.37Å; G99-Y102 WeakPolarHBondContact O-CB 3.43Å; G99-Y102 PolarHBondContact O-N 3.12Å; G99-E103 PolarHBondContact O-N 3.26Å |
| 100 | M | 91.4 | Very high | 86.8 | Confident | 107 Ų | 107 | 100.8 Ų | 100.8 | 53% | 0.527 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.9 | -47 | 174.5 | -70.2 | -173.4 | -62.4 | 0 | 0 | 111.5 | D96 I97 Y102 E103 V104 | D96-M100 WeakPolarHBondContact O-CG 3.43Å; D96-M100 PolarHBondContact O-N 2.68Å; I97-M100 HydrophobicContact CB-CE 4.44Å; I97-M100 HydrophobicContact CG1-CE 4.23Å; I97-M100 PolarHBondContact O-N 3.25Å; M100-Y102 VanDerWaalsContact C-N 3.3Å; M100-Y102 PolarHBondContact O-N 3.49Å; M100-E103 PolarHBondContact O-N 3.32Å; M100-V104 WeakPolarHBondContact O-CG2 3.44Å; M100-V104 PolarHBondContact O-N 3.42Å |
| 101 | C | 95 | Very high | 88.4 | Confident | 55 Ų | 55 | 97.4 Ų | 97.4 | 37% | 0.372 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.6 | -43.6 | 176.1 | -74 | 0 | 0 | 0 | 0 | 111.6 | I97 L98 G99 V104 F105 | I97-C101 WeakPolarHBondContact O-CB 3.33Å; I97-C101 PolarHBondContact O-N 2.94Å; I97-C101 PolarHBondContact O-SG 3.34Å; L98-C101 PolarHBondContact O-N 3.36Å; G99-C101 PolarHBondContact O-N 3.37Å; C101-V104 PolarHBondContact O-N 3.28Å; C101-F105 HydrophobicContact CB-CD2 4.4Å; C101-F105 HydrophobicContact CB-CE2 4.16Å; C101-F105 WeakPolarHBondContact O-CD2 3.42Å; C101-F105 WeakPolarHBondContact O-CG 3.29Å; C101-F105 PolarHBondContact O-N 3.12Å |
| 102 | Y | 94.8 | Very high | 89.8 | Confident | 151 Ų | 151 | 90.7 Ų | 90.7 | 59% | 0.592 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60.9 | -47.8 | 178.5 | 178.3 | -97.1 | 0 | 0 | 0 | 111.9 | L98 G99 M100 V104 F105 K106 | L98-Y102 WeakPolarHBondContact O-CB 3.48Å; L98-Y102 PolarHBondContact O-N 2.96Å; G99-Y102 WeakPolarHBondContact O-CB 3.43Å; G99-Y102 PolarHBondContact O-N 3.12Å; M100-Y102 VanDerWaalsContact C-N 3.3Å; M100-Y102 PolarHBondContact O-N 3.49Å; Y102-V104 PolarHBondContact O-N 3.42Å; Y102-F105 PolarHBondContact O-N 3.47Å; Y102-K106 HydrophobicContact CE1-CD 4.06Å; Y102-K106 VanDerWaalsContact O-CB 3.28Å; Y102-K106 WeakPolarHBondContact O-CB 3.44Å; Y102-K106 PolarHBondContact O-N 2.98Å |
| 103 | E | 95.3 | Very high | 91 | Very high | 82 Ų | 82 | 92.8 Ų | 92.8 | 38% | 0.383 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.8 | -39.1 | 177.9 | -75 | -60.4 | 151.5 | 0 | 0 | 112.1 | G99 M100 K106 N107 | G99-E103 PolarHBondContact O-N 3.26Å; M100-E103 PolarHBondContact O-N 3.32Å; E103-K106 PolarHBondContact O-N 3.49Å; E103-K106 IonicContact OE1-NZ 3.49Å; E103-K106 PolarHBondContact OE1-NZ 2.79Å; E103-K106 VanDerWaalsContact OE1-NZ 3.11Å; E103-K106 IonicContact OE2-NZ 3.77Å; E103-K106 PolarHBondContact OE2-NZ 3.01Å; E103-K106 VanDerWaalsContact OE2-NZ 3.09Å; E103-N107 WeakPolarHBondContact O-CB 3.43Å; E103-N107 PolarHBondContact O-N 2.94Å; E103-N107 PolarHBondContact O-ND2 2.91Å |
| 104 | V | 96.5 | Very high | 91.9 | Very high | 85 Ų | 85 | 93.3 Ų | 93.3 | 52% | 0.515 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.2 | -49.1 | 173.1 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | M100 C101 Y102 K106 N107 V108 | M100-V104 WeakPolarHBondContact O-CG2 3.44Å; M100-V104 PolarHBondContact O-N 3.42Å; C101-V104 PolarHBondContact O-N 3.28Å; Y102-V104 PolarHBondContact O-N 3.42Å; V104-K106 VanDerWaalsContact C-N 3.33Å; V104-K106 PolarHBondContact O-N 2.86Å; V104-N107 PolarHBondContact O-N 3.13Å; V104-V108 HydrophobicContact CG1-CG2 4.43Å; V104-V108 VanDerWaalsContact O-CG2 3.29Å; V104-V108 WeakPolarHBondContact O-CG2 3.06Å; V104-V108 PolarHBondContact O-N 3.03Å |
| 105 | F | 95.4 | Very high | 92.6 | Very high | 143 Ų | 143 | 87.7 Ų | 87.7 | 63% | 0.627 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -65.7 | -35.7 | -180 | -71.2 | -49.6 | 0 | 0 | 0 | 112.9 | C101 Y102 V108 A109 | C101-F105 HydrophobicContact CB-CD2 4.4Å; C101-F105 HydrophobicContact CB-CE2 4.16Å; C101-F105 WeakPolarHBondContact O-CD2 3.42Å; C101-F105 WeakPolarHBondContact O-CG 3.29Å; C101-F105 PolarHBondContact O-N 3.12Å; Y102-F105 PolarHBondContact O-N 3.47Å; F105-V108 PolarHBondContact O-N 3.43Å; F105-A109 WeakPolarHBondContact O-CB 3.45Å; F105-A109 PolarHBondContact O-N 3.32Å |
| 106 | K | 95.4 | Very high | 93 | Very high | 91 Ų | 91 | 87.2 Ų | 87.2 | 40% | 0.396 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 174 | 178.5 | 179.3 | 160.6 | -152.4 | 0 | 111.3 | Y102 E103 V104 V108 A109 V110 | Y102-K106 HydrophobicContact CE1-CD 4.06Å; Y102-K106 VanDerWaalsContact O-CB 3.28Å; Y102-K106 WeakPolarHBondContact O-CB 3.44Å; Y102-K106 PolarHBondContact O-N 2.98Å; E103-K106 PolarHBondContact O-N 3.49Å; E103-K106 IonicContact OE1-NZ 3.49Å; E103-K106 PolarHBondContact OE1-NZ 2.79Å; E103-K106 VanDerWaalsContact OE1-NZ 3.11Å; E103-K106 IonicContact OE2-NZ 3.77Å; E103-K106 PolarHBondContact OE2-NZ 3.01Å; E103-K106 VanDerWaalsContact OE2-NZ 3.09Å; V104-K106 VanDerWaalsContact C-N 3.33Å; V104-K106 PolarHBondContact O-N 2.86Å; K106-V108 PolarHBondContact O-N 3.01Å; K106-A109 WeakPolarHBondContact O-CB 3.39Å; K106-A109 PolarHBondContact O-N 3.45Å; K106-V110 WeakPolarHBondContact O-CG2 3.43Å; K106-V110 PolarHBondContact O-N 3.21Å |
| 107 | N | 95.3 | Very high | 93.3 | Very high | 101 Ų | 101 | 91.1 Ų | 91.1 | 54% | 0.54 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 176.3 | -69.2 | -23.9 | 0 | 0 | 0 | 111.8 | E103 V104 A109 V110 L111 | E103-N107 WeakPolarHBondContact O-CB 3.43Å; E103-N107 PolarHBondContact O-N 2.94Å; E103-N107 PolarHBondContact O-ND2 2.91Å; V104-N107 PolarHBondContact O-N 3.13Å; N107-A109 VanDerWaalsContact C-N 3.33Å; N107-A109 PolarHBondContact O-N 3.36Å; N107-V110 PolarHBondContact O-N 3.38Å; N107-L111 WeakPolarHBondContact O-CB 3.47Å; N107-L111 PolarHBondContact O-N 3.06Å |
| 108 | V | 94 | Very high | 93.4 | Very high | 61 Ų | 61 | 91.6 Ų | 91.6 | 37% | 0.37 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 173.1 | 171.1 | 0 | 0 | 0 | 0 | 111 | V104 F105 K106 V110 L111 L112 | V104-V108 HydrophobicContact CG1-CG2 4.43Å; V104-V108 VanDerWaalsContact O-CG2 3.29Å; V104-V108 WeakPolarHBondContact O-CG2 3.06Å; V104-V108 PolarHBondContact O-N 3.03Å; F105-V108 PolarHBondContact O-N 3.43Å; K106-V108 PolarHBondContact O-N 3.01Å; V108-V110 PolarHBondContact O-N 3.37Å; V108-L111 PolarHBondContact O-N 2.94Å; V108-L112 HydrophobicContact CG1-CD1 3.77Å; V108-L112 HydrophobicContact CG1-CG 4.22Å; V108-L112 WeakPolarHBondContact O-CB 3.41Å; V108-L112 WeakPolarHBondContact O-CG 3.4Å; V108-L112 PolarHBondContact O-N 2.82Å |
| 109 | A | 92.7 | Very high | 93.4 | Very high | 45 Ų | 45 | 89.5 Ų | 89.5 | 37% | 0.372 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64 | -40 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F105 K106 N107 N113 | F105-A109 WeakPolarHBondContact O-CB 3.45Å; F105-A109 PolarHBondContact O-N 3.32Å; K106-A109 WeakPolarHBondContact O-CB 3.39Å; K106-A109 PolarHBondContact O-N 3.45Å; N107-A109 VanDerWaalsContact C-N 3.33Å; N107-A109 PolarHBondContact O-N 3.36Å; A109-N113 VanDerWaalsContact O-CG 3.26Å; A109-N113 PolarHBondContact O-N 3.02Å; A109-N113 VanDerWaalsContact O-N 3.11Å; A109-N113 PolarHBondContact O-ND2 2.93Å; A109-N113 VanDerWaalsContact O-ND2 3.13Å |
| 110 | V | 94 | Very high | 93.3 | Very high | 73 Ų | 73 | 94.7 Ų | 94.7 | 44% | 0.442 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.5 | -51.5 | 173 | 173.6 | 0 | 0 | 0 | 0 | 110.2 | K106 N107 V108 L112 N113 E114 | K106-V110 WeakPolarHBondContact O-CG2 3.43Å; K106-V110 PolarHBondContact O-N 3.21Å; N107-V110 PolarHBondContact O-N 3.38Å; V108-V110 PolarHBondContact O-N 3.37Å; V110-L112 VanDerWaalsContact C-N 3.29Å; V110-L112 PolarHBondContact O-N 2.94Å; V110-N113 PolarHBondContact O-N 3.49Å; V110-E114 PolarHBondContact O-N 3.26Å |
| 111 | L | 94.2 | Very high | 93.3 | Very high | 86 Ų | 86 | 95.9 Ų | 95.9 | 45% | 0.45 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -56.4 | -41.1 | 179.5 | -176.2 | 70.6 | 0 | 0 | 0 | 112.8 | N107 V108 N113 E114 N115 | N107-L111 WeakPolarHBondContact O-CB 3.47Å; N107-L111 PolarHBondContact O-N 3.06Å; V108-L111 PolarHBondContact O-N 2.94Å; L111-N113 VanDerWaalsContact C-N 3.34Å; L111-E114 PolarHBondContact O-N 3.22Å; L111-N115 WeakPolarHBondContact O-CB 3.48Å; L111-N115 PolarHBondContact O-N 3.38Å; L111-N115 PolarHBondContact O-ND2 3.49Å |
| 112 | L | 93.5 | Very high | 93.1 | Very high | 30 Ų | 30 | 96.7 Ų | 96.7 | 16% | 0.157 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -72.2 | -26.5 | 178.2 | -68.1 | 171.5 | 0 | 0 | 0 | 113.1 | V108 V110 N115 L118 K119 L122 | V108-L112 HydrophobicContact CG1-CD1 3.77Å; V108-L112 HydrophobicContact CG1-CG 4.22Å; V108-L112 WeakPolarHBondContact O-CB 3.41Å; V108-L112 WeakPolarHBondContact O-CG 3.4Å; V108-L112 PolarHBondContact O-N 2.82Å; V110-L112 VanDerWaalsContact C-N 3.29Å; V110-L112 PolarHBondContact O-N 2.94Å; L112-N115 CarbonylContact O-C 3.6Å; L112-L118 HydrophobicContact CD2-CB 4.14Å; L112-K119 HydrophobicContact CB-CB 4.33Å; L112-K119 HydrophobicContact CD2-CB 4.41Å; L112-K119 WeakPolarHBondContact O-CB 3.47Å; L112-L122 HydrophobicContact CD1-CD2 3.47Å; L112-L122 VanDerWaalsContact CD1-CD2 3.47Å; L112-L122 HydrophobicContact CD2-CD2 4.06Å; L112-L122 HydrophobicContact CG-CD2 4.43Å |
| 113 | N | 91.2 | Very high | 92.9 | Very high | 111 Ų | 111 | 96.1 Ų | 96.1 | 59% | 0.594 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -79.1 | -31.5 | 174.8 | -72.9 | -29.8 | 0 | 0 | 0 | 111.8 | A109 V110 L111 K119 | A109-N113 VanDerWaalsContact O-CG 3.26Å; A109-N113 PolarHBondContact O-N 3.02Å; A109-N113 VanDerWaalsContact O-N 3.11Å; A109-N113 PolarHBondContact O-ND2 2.93Å; A109-N113 VanDerWaalsContact O-ND2 3.13Å; V110-N113 PolarHBondContact O-N 3.49Å; L111-N113 VanDerWaalsContact C-N 3.34Å; N113-K119 PolarHBondContact OD1-NZ 2.9Å |
| 114 | E | 93.7 | Very high | 92.7 | Very high | 137 Ų | 137 | 98 Ų | 98 | 64% | 0.64 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -74.3 | -30.1 | 173.1 | -68.2 | 174.2 | 175.6 | 0 | 0 | 112.5 | V110 L111 P116 | V110-E114 PolarHBondContact O-N 3.26Å; L111-E114 PolarHBondContact O-N 3.22Å; E114-P116 WeakPolarHBondContact O-CD 3.47Å |
| 115 | N | 91.7 | Very high | 92.4 | Very high | 64 Ų | 64 | 98.7 Ų | 98.7 | 34% | 0.342 | 49% | 0.494 | S | S | . | . | trans | -119.4 | 89.8 | -177.9 | -62 | -85 | 0 | 0 | 0 | 111.8 | L111 L112 E117 L118 K119 | L111-N115 WeakPolarHBondContact O-CB 3.48Å; L111-N115 PolarHBondContact O-N 3.38Å; L111-N115 PolarHBondContact O-ND2 3.49Å; L112-N115 CarbonylContact O-C 3.6Å; N115-E117 VanDerWaalsContact C-N 3.29Å; N115-E117 PolarHBondContact O-N 3.24Å; N115-L118 HydrophobicContact CB-CB 4.02Å; N115-L118 HydrophobicContact CB-CD1 3.65Å; N115-L118 HydrophobicContact CB-CG 4.22Å; N115-L118 PolarHBondContact O-N 2.89Å; N115-K119 PolarHBondContact O-N 3.33Å | ||
| 116 | P | 90 | Very high | 92.1 | Very high | 92 Ų | 92 | 95.5 Ų | 95.5 | 60% | 0.597 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.9 | -31.3 | -176.5 | 24.7 | -33.6 | 0 | 0 | 0 | 113.5 | E114 K119 E120 | E114-P116 WeakPolarHBondContact O-CD 3.47Å; P116-K119 WeakPolarHBondContact O-CB 3.34Å; P116-K119 PolarHBondContact O-N 3.27Å; P116-E120 PolarHBondContact O-N 2.84Å |
| 117 | E | 91.6 | Very high | 91.8 | Very high | 164 Ų | 164 | 96.7 Ų | 96.7 | 77% | 0.766 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63 | -42.6 | 176.2 | -63.9 | -174.7 | 176.6 | 0 | 0 | 112 | N115 K119 E120 K121 | N115-E117 VanDerWaalsContact C-N 3.29Å; N115-E117 PolarHBondContact O-N 3.24Å; E117-K119 VanDerWaalsContact C-N 3.3Å; E117-K119 PolarHBondContact O-N 3.41Å; E117-E120 PolarHBondContact O-N 2.86Å; E117-K121 WeakPolarHBondContact O-CB 3.46Å; E117-K121 PolarHBondContact O-N 3.46Å |
| 118 | L | 91.6 | Very high | 91.5 | Very high | 85 Ų | 85 | 96 Ų | 96 | 45% | 0.445 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.3 | -37.5 | 175.6 | -82 | 164.6 | 0 | 0 | 0 | 111.2 | L112 N115 K121 L122 | L112-L118 HydrophobicContact CD2-CB 4.14Å; N115-L118 HydrophobicContact CB-CB 4.02Å; N115-L118 HydrophobicContact CB-CD1 3.65Å; N115-L118 HydrophobicContact CB-CG 4.22Å; N115-L118 PolarHBondContact O-N 2.89Å; L118-K121 PolarHBondContact O-N 3.35Å; L118-L122 WeakPolarHBondContact O-CB 3.39Å; L118-L122 PolarHBondContact O-N 3.44Å |
| 119 | K | 91.9 | Very high | 91.1 | Very high | 80 Ų | 80 | 97.4 Ų | 97.4 | 35% | 0.348 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 175.6 | -172.8 | 175.2 | -175.2 | 167 | 0 | 112.5 | L112 N113 N115 P116 E117 K123 | L112-K119 HydrophobicContact CB-CB 4.33Å; L112-K119 HydrophobicContact CD2-CB 4.41Å; L112-K119 WeakPolarHBondContact O-CB 3.47Å; N113-K119 PolarHBondContact OD1-NZ 2.9Å; N115-K119 PolarHBondContact O-N 3.33Å; P116-K119 WeakPolarHBondContact O-CB 3.34Å; P116-K119 PolarHBondContact O-N 3.27Å; E117-K119 VanDerWaalsContact C-N 3.3Å; E117-K119 PolarHBondContact O-N 3.41Å; K119-K123 WeakPolarHBondContact O-CG 3.3Å; K119-K123 PolarHBondContact O-N 2.94Å |
| 120 | E | 90.4 | Very high | 90.6 | Very high | 145 Ų | 145 | 103.1 Ų | 103.1 | 68% | 0.678 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.8 | -45.9 | 175.6 | -172.3 | 170.8 | -170.2 | 0 | 0 | 111.6 | P116 E117 L122 K123 Q124 | P116-E120 PolarHBondContact O-N 2.84Å; E117-E120 PolarHBondContact O-N 2.86Å; E120-L122 VanDerWaalsContact C-N 3.32Å; E120-L122 PolarHBondContact O-N 2.91Å; E120-K123 WeakPolarHBondContact O-CB 3.45Å; E120-K123 PolarHBondContact O-N 3.31Å; E120-K123 VanDerWaalsContact O-N 3.12Å; E120-Q124 PolarHBondContact O-N 2.93Å |
| 121 | K | 91.9 | Very high | 89.7 | Confident | 133 Ų | 133 | 103.8 Ų | 103.8 | 58% | 0.578 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58.6 | -41.8 | 175.4 | -172.4 | 175.3 | -177.8 | 176.6 | 0 | 112.4 | E117 L118 Q124 M125 | E117-K121 WeakPolarHBondContact O-CB 3.46Å; E117-K121 PolarHBondContact O-N 3.46Å; L118-K121 PolarHBondContact O-N 3.35Å; K121-Q124 PolarHBondContact O-N 2.76Å; K121-M125 WeakPolarHBondContact O-CB 3.44Å; K121-M125 PolarHBondContact O-N 3.49Å |
| 122 | L | 90.3 | Very high | 88.8 | Confident | 71 Ų | 71 | 106 Ų | 106 | 37% | 0.372 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65 | -42.3 | 175.4 | -177.4 | 65.4 | 0 | 0 | 0 | 111.5 | L112 L118 E120 Q124 M125 C126 | L112-L122 HydrophobicContact CD1-CD2 3.47Å; L112-L122 VanDerWaalsContact CD1-CD2 3.47Å; L112-L122 HydrophobicContact CD2-CD2 4.06Å; L112-L122 HydrophobicContact CG-CD2 4.43Å; L118-L122 WeakPolarHBondContact O-CB 3.39Å; L118-L122 PolarHBondContact O-N 3.44Å; E120-L122 VanDerWaalsContact C-N 3.32Å; E120-L122 PolarHBondContact O-N 2.91Å; L122-Q124 VanDerWaalsContact C-N 3.33Å; L122-Q124 PolarHBondContact O-N 3.08Å; L122-M125 PolarHBondContact O-N 3.12Å; L122-C126 WeakPolarHBondContact O-CB 3.37Å; L122-C126 PolarHBondContact O-N 3.25Å; L122-C126 PolarHBondContact O-SG 3.31Å |
| 123 | K | 90.4 | Very high | 87.6 | Confident | 139 Ų | 139 | 107.6 Ų | 107.6 | 60% | 0.604 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59.4 | -43.4 | 174.9 | -77.8 | 177.3 | 176.1 | -175.7 | 0 | 111.8 | K119 E120 C126 H127 | K119-K123 WeakPolarHBondContact O-CG 3.3Å; K119-K123 PolarHBondContact O-N 2.94Å; E120-K123 WeakPolarHBondContact O-CB 3.45Å; E120-K123 PolarHBondContact O-N 3.31Å; E120-K123 VanDerWaalsContact O-N 3.12Å; K123-C126 PolarHBondContact O-N 3.44Å; K123-H127 PolarHBondContact O-N 2.9Å |
| 124 | Q | 91 | Very high | 86.2 | Confident | 123 Ų | 123 | 107.9 Ų | 107.9 | 58% | 0.575 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61 | -46.8 | 176.3 | -172.2 | 176.3 | 18.4 | 0 | 0 | 111.1 | E120 K121 L122 C126 H127 E128 | E120-Q124 PolarHBondContact O-N 2.93Å; K121-Q124 PolarHBondContact O-N 2.76Å; L122-Q124 VanDerWaalsContact C-N 3.33Å; L122-Q124 PolarHBondContact O-N 3.08Å; Q124-C126 PolarHBondContact O-N 3.21Å; Q124-H127 WeakPolarHBondContact O-CB 3.32Å; Q124-H127 PolarHBondContact O-N 2.95Å; Q124-E128 PolarHBondContact O-N 3.28Å |
| 125 | M | 91.2 | Very high | 84.5 | Confident | 99 Ų | 99 | 106.8 Ų | 106.8 | 49% | 0.488 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63 | -42.7 | 177.6 | -164.7 | -173 | -47.9 | 0 | 0 | 112.5 | K121 L122 H127 E128 V129 | K121-M125 WeakPolarHBondContact O-CB 3.44Å; K121-M125 PolarHBondContact O-N 3.49Å; L122-M125 PolarHBondContact O-N 3.12Å; M125-H127 VanDerWaalsContact C-N 3.28Å; M125-H127 PolarHBondContact O-N 3.26Å; M125-E128 PolarHBondContact O-N 2.78Å; M125-V129 WeakPolarHBondContact O-CG2 3.24Å; M125-V129 PolarHBondContact O-N 2.87Å |
| 126 | C | 88.9 | Confident | 83 | Confident | 75 Ų | 75 | 112.2 Ų | 112.2 | 51% | 0.507 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.8 | -38.1 | 174.7 | -74.6 | 0 | 0 | 0 | 0 | 111.8 | L122 K123 Q124 R130 | L122-C126 WeakPolarHBondContact O-CB 3.37Å; L122-C126 PolarHBondContact O-N 3.25Å; L122-C126 PolarHBondContact O-SG 3.31Å; K123-C126 PolarHBondContact O-N 3.44Å; Q124-C126 PolarHBondContact O-N 3.21Å; C126-R130 VanDerWaalsContact O-CB 3.24Å; C126-R130 WeakPolarHBondContact O-CB 3.45Å; C126-R130 PolarHBondContact O-N 3.43Å |
| 127 | H | 88.4 | Confident | 81.3 | Confident | 117 Ų | 117 | 115.4 Ų | 115.4 | 54% | 0.542 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.9 | -45 | 175 | -170.6 | -97.9 | 0 | 0 | 0 | 111.5 | K123 Q124 M125 V129 R130 L131 | K123-H127 PolarHBondContact O-N 2.9Å; Q124-H127 WeakPolarHBondContact O-CB 3.32Å; Q124-H127 PolarHBondContact O-N 2.95Å; M125-H127 VanDerWaalsContact C-N 3.28Å; M125-H127 PolarHBondContact O-N 3.26Å; H127-V129 PolarHBondContact O-N 2.97Å; H127-R130 PolarHBondContact O-N 2.96Å; H127-L131 WeakPolarHBondContact CE1-CD1 3.41Å; H127-L131 WeakPolarHBondContact ND1-CD1 3.35Å; H127-L131 VanDerWaalsContact O-CG 3.32Å; H127-L131 WeakPolarHBondContact O-CG 3.45Å; H127-L131 PolarHBondContact O-N 3.38Å |
| 128 | E | 88.4 | Confident | 79.4 | Confident | 85 Ų | 85 | 114.8 Ų | 114.8 | 40% | 0.397 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.8 | -44 | 176.3 | -73.1 | -175.5 | -160.9 | 0 | 0 | 113.3 | Q124 M125 R130 L131 K132 | Q124-E128 PolarHBondContact O-N 3.28Å; M125-E128 PolarHBondContact O-N 2.78Å; E128-R130 VanDerWaalsContact C-N 3.35Å; E128-L131 PolarHBondContact O-N 2.91Å; E128-K132 WeakPolarHBondContact O-CB 3.39Å; E128-K132 VanDerWaalsContact O-CG 3.27Å; E128-K132 WeakPolarHBondContact O-CG 3.37Å; E128-K132 PolarHBondContact O-N 3.29Å; E128-K132 IonicContact OE2-NZ 3.11Å |
| 129 | V | 85.1 | Confident | 77.4 | Confident | 91 Ų | 91 | 117.7 Ų | 117.7 | 55% | 0.552 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.7 | -42.6 | 177.5 | 173.1 | 0 | 0 | 0 | 0 | 110.4 | M125 H127 K132 S133 | M125-V129 WeakPolarHBondContact O-CG2 3.24Å; M125-V129 PolarHBondContact O-N 2.87Å; H127-V129 PolarHBondContact O-N 2.97Å; V129-K132 PolarHBondContact O-N 3.09Å; V129-S133 WeakPolarHBondContact O-CB 3.28Å; V129-S133 PolarHBondContact O-N 3.42Å |
| 130 | R | 83.4 | Confident | 75.3 | Confident | 166 Ų | 166 | 119.9 Ų | 119.9 | 63% | 0.626 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -61 | -46.1 | 176.5 | -174.1 | 168.9 | -174.1 | 141.6 | 2 | 111 | C126 H127 E128 S133 F134 | C126-R130 VanDerWaalsContact O-CB 3.24Å; C126-R130 WeakPolarHBondContact O-CB 3.45Å; C126-R130 PolarHBondContact O-N 3.43Å; H127-R130 PolarHBondContact O-N 2.96Å; E128-R130 VanDerWaalsContact C-N 3.35Å; R130-S133 PolarHBondContact O-N 2.88Å; R130-S133 PolarHBondContact O-OG 3.37Å; R130-F134 HydrophobicContact CG-CD2 4.02Å; R130-F134 HydrophobicContact CG-CE2 3.5Å; R130-F134 VanDerWaalsContact CG-CE2 3.5Å; R130-F134 WeakPolarHBondContact O-CD2 3.31Å; R130-F134 PolarHBondContact O-N 3.31Å |
| 131 | L | 75.4 | Confident | 73 | Confident | 86 Ų | 86 | 117.2 Ų | 117.2 | 45% | 0.45 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.3 | -44.1 | 175.9 | -70 | 179.4 | 0 | 0 | 0 | 112.6 | H127 E128 S133 F134 N135 | H127-L131 WeakPolarHBondContact CE1-CD1 3.41Å; H127-L131 WeakPolarHBondContact ND1-CD1 3.35Å; H127-L131 VanDerWaalsContact O-CG 3.32Å; H127-L131 WeakPolarHBondContact O-CG 3.45Å; H127-L131 PolarHBondContact O-N 3.38Å; E128-L131 PolarHBondContact O-N 2.91Å; L131-S133 VanDerWaalsContact C-N 3.26Å; L131-S133 PolarHBondContact O-N 3.22Å; L131-F134 PolarHBondContact O-N 3.3Å; L131-N135 PolarHBondContact O-N 3.23Å; L131-N135 VanDerWaalsContact O-N 3.12Å |
| 132 | K | 75.3 | Confident | 70.6 | Confident | 133 Ų | 133 | 118.4 Ų | 118.4 | 58% | 0.578 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -62.6 | -32.7 | 176.6 | -72.9 | 168.1 | -177.6 | 166 | 0 | 112.3 | E128 V129 K136 | E128-K132 WeakPolarHBondContact O-CB 3.39Å; E128-K132 VanDerWaalsContact O-CG 3.27Å; E128-K132 WeakPolarHBondContact O-CG 3.37Å; E128-K132 PolarHBondContact O-N 3.29Å; E128-K132 IonicContact OE2-NZ 3.11Å; V129-K132 PolarHBondContact O-N 3.09Å; K132-K136 PolarHBondContact O-N 2.98Å |
| 133 | S | 67.6 | Low | 68.4 | Low | 64 Ų | 64 | 122.1 Ų | 122.1 | 45% | 0.448 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -71.2 | -32.9 | 177.6 | 73 | 0 | 0 | 0 | 0 | 113.5 | V129 R130 L131 | V129-S133 WeakPolarHBondContact O-CB 3.28Å; V129-S133 PolarHBondContact O-N 3.42Å; R130-S133 PolarHBondContact O-N 2.88Å; R130-S133 PolarHBondContact O-OG 3.37Å; L131-S133 VanDerWaalsContact C-N 3.26Å; L131-S133 PolarHBondContact O-N 3.22Å |
| 134 | F | 61 | Low | 66.2 | Low | 117 Ų | 117 | 123.1 Ų | 123.1 | 51% | 0.513 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -77.1 | -37.1 | 176 | -72 | -64.8 | 0 | 0 | 0 | 112.6 | R130 L131 K136 Q137 | R130-F134 HydrophobicContact CG-CD2 4.02Å; R130-F134 HydrophobicContact CG-CE2 3.5Å; R130-F134 VanDerWaalsContact CG-CE2 3.5Å; R130-F134 WeakPolarHBondContact O-CD2 3.31Å; R130-F134 PolarHBondContact O-N 3.31Å; L131-F134 PolarHBondContact O-N 3.3Å; F134-K136 PolarHBondContact O-N 3.42Å; F134-Q137 PolarHBondContact O-N 3.14Å |
| 135 | N | 59.9 | Low | 64 | Low | 114 Ų | 114 | 123.7 Ų | 123.7 | 61% | 0.61 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.9 | -26.6 | 178 | -72.3 | -7.7 | 0 | 0 | 0 | 112.8 | L131 Q137 | L131-N135 PolarHBondContact O-N 3.23Å; L131-N135 VanDerWaalsContact O-N 3.12Å; N135-Q137 VanDerWaalsContact C-N 3.3Å; N135-Q137 PolarHBondContact O-N 3.37Å |
| 136 | K | 58.4 | Low | 62 | Low | 177 Ų | 177 | 126 Ų | 126 | 77% | 0.77 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -13.3 | 178.6 | -126.4 | 175.2 | -175.8 | -179.2 | 0 | 114.5 | K132 F134 | K132-K136 PolarHBondContact O-N 2.98Å; F134-K136 PolarHBondContact O-N 3.42Å |
| 137 | Q | 56.1 | Low | 59.7 | Low | 160 Ų | 160 | 130 Ų | 130 | 75% | 0.748 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -9.1 | 177.5 | -69.8 | -161.5 | -28.8 | 0 | 0 | 113.4 | F134 N135 | F134-Q137 PolarHBondContact O-N 3.14Å; N135-Q137 VanDerWaalsContact C-N 3.3Å; N135-Q137 PolarHBondContact O-N 3.37Å |
| 138 | H | 51.1 | Low | 57.5 | Low | 151 Ų | 151 | 135.4 Ų | 135.4 | 70% | 0.699 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -102.4 | -6.6 | -176.9 | -134.7 | -66.4 | 0 | 0 | 0 | 115.3 | ||
| 139 | D | 48.4 | Very low | 55.3 | Low | 145 Ų | 145 | 137.1 Ų | 137.1 | 78% | 0.775 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -97.5 | 8.1 | 178.6 | -72.2 | -26.3 | 0 | 0 | 0 | 114.1 | ||
| 140 | T | 49 | Very low | 53.3 | Low | 127 Ų | 127 | 138.5 Ų | 138.5 | 78% | 0.779 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -107.4 | 15.7 | -180 | 21.2 | 0 | 0 | 0 | 0 | 115.1 | ||
| 141 | S | 42.8 | Very low | 51.5 | Low | 88 Ų | 88 | 135.8 Ų | 135.8 | 62% | 0.615 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -117.7 | 128.8 | 163.4 | 67.1 | 0 | 0 | 0 | 0 | 108.8 | ||
| 142 | N | 41.1 | Very low | 50 | Low | 158 Ų | 158 | 137.3 Ų | 137.3 | 85% | 0.845 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 78.4 | 76.2 | -176.5 | -85.3 | -7.5 | 0 | 0 | 0 | 117.5 | ||
| 143 | N | 42.9 | Very low | 48.5 | Very low | 149 Ų | 149 | 138.2 Ų | 138.2 | 80% | 0.797 | 73% | 0.731 | S | S | * | * | trans | -158.3 | 58.9 | 134.9 | -112 | -13.5 | 0 | 0 | 0 | 111.7 | N145 | N143-N145 PolarHBondContact O-N 3.26Š| ||
| 144 | N | 45.7 | Very low | 47.2 | Very low | 160 Ų | 160 | 145.1 Ų | 145.1 | 86% | 0.856 | 75% | 0.753 | S | S | * | * | trans | -81.8 | 92 | 152.6 | -82.1 | -12.8 | 0 | 0 | 0 | 106.3 | ||||
| 145 | N | 43.4 | Very low | 46.5 | Very low | 135 Ų | 135 | 144.5 Ų | 144.5 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | trans | 158.3 | 100.2 | 159.1 | -83.2 | -17 | 0 | 0 | 0 | 106.6 | N143 | N143-N145 PolarHBondContact O-N 3.26Š| ||
| 146 | N | 50.7 | Low | 45.6 | Very low | 147 Ų | 147 | 147.2 Ų | 147.2 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | trans | 176 | 82.8 | 145.9 | -82.2 | -21.8 | 0 | 0 | 0 | 109.1 | ||||
| 147 | N | 40.6 | Very low | 44.7 | Very low | 159 Ų | 159 | 142.8 Ų | 142.8 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | 32.2 | 95 | 122.9 | -139.6 | 14.9 | 0 | 0 | 0 | 116.2 | |||||
| 148 | Y | 40.6 | Very low | 43.9 | Very low | 232 Ų | 232 | 140.4 Ų | 140.4 | 91% | 0.91 | 78% | 0.783 | S | S | * | * | trans | -113.1 | 118.7 | 152.2 | -106.7 | -91.3 | 0 | 0 | 0 | 108.2 | ||||
| 149 | D | 43.6 | Very low | 43.3 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 65% | 0.647 | 79% | 0.785 | S | S | * | * | trans | -63.9 | 131.8 | -175.5 | -177.7 | -2.1 | 0 | 0 | 0 | 113.1 | T151 | D149-T151 PolarHBondContact OD1-OG1 2.92Š| ||
| 150 | P | 42.8 | Very low | 43.1 | Very low | 119 Ų | 119 | 140.1 Ų | 140.1 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | -110.9 | 85.6 | 172.3 | 37.6 | -24.4 | 0 | 0 | 0 | 111.8 | ||||
| 151 | T | 44.3 | Very low | 42.6 | Very low | 110 Ų | 110 | 143.1 Ų | 143.1 | 68% | 0.675 | 79% | 0.788 | S | S | * | * | trans | -152.6 | 138.6 | 165.5 | 59.8 | 0 | 0 | 0 | 0 | 106.8 | D149 | D149-T151 PolarHBondContact OD1-OG1 2.92Š| ||
| 152 | V | 44.6 | Very low | 42.7 | Very low | 117 Ų | 117 | 144.1 Ų | 144.1 | 71% | 0.709 | 80% | 0.795 | S | S | * | * | cis | -165 | 137.4 | 40.4 | 177.6 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 153 | N | 44.8 | Very low | 42.5 | Very low | 153 Ų | 153 | 144.1 Ų | 144.1 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | 173.2 | 83.3 | 134 | -84.1 | -14.8 | 0 | 0 | 0 | 111 | ||||
| 154 | K | 40.3 | Very low | 42.3 | Very low | 209 Ų | 209 | 142.8 Ų | 142.8 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -84.3 | 119.1 | 155.4 | -108.8 | 176 | 175.2 | 175.7 | 0 | 107.4 | ||||
| 155 | S | 44.8 | Very low | 42.3 | Very low | 104 Ų | 104 | 141.8 Ų | 141.8 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -156.4 | 109.6 | 146.1 | 51.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 156 | N | 40.5 | Very low | 42.5 | Very low | 171 Ų | 171 | 143.2 Ų | 143.2 | 91% | 0.914 | 79% | 0.785 | S | S | * | * | trans | 39.4 | 106.1 | 131.5 | -56.1 | -10.5 | 0 | 0 | 0 | 119.1 | ||||
| 157 | G | 40.4 | Very low | 42.1 | Very low | 84 Ų | 84 | 141.2 Ų | 141.2 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | trans | -155.4 | 91.7 | 160 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 158 | S | 38.5 | Very low | 42.4 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | trans | -92.2 | 160.7 | -178.1 | -176.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 159 | I | 39.1 | Very low | 42.7 | Very low | 145 Ų | 145 | 133 Ų | 133 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | trans | 77.3 | 116.1 | 157.8 | -23.3 | -178.6 | 0 | 0 | 0 | 117.6 | ||||
| 160 | I | 44.5 | Very low | 42.6 | Very low | 145 Ų | 145 | 131.6 Ų | 131.6 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | 155.9 | 118.8 | 108.5 | -73.2 | 179.1 | 0 | 0 | 0 | 110 | |||||
| 161 | H | 38.3 | Very low | 42.9 | Very low | 190 Ų | 190 | 138 Ų | 138 | 88% | 0.88 | 78% | 0.777 | S | S | * | * | trans | -61.3 | 134.9 | 162.2 | -71.1 | -85.6 | 0 | 0 | 0 | 111.6 | ||||
| 162 | S | 45.4 | Very low | 43.1 | Very low | 110 Ų | 110 | 139.9 Ų | 139.9 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | -157.4 | 113.6 | 144.1 | 39.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 163 | N | 36.9 | Very low | 42.9 | Very low | 157 Ų | 157 | 144.2 Ų | 144.2 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | -56.6 | 143.4 | 153.5 | -77.7 | -26.4 | 0 | 0 | 0 | 108.4 | ||||
| 164 | T | 37.7 | Very low | 43 | Very low | 121 Ų | 121 | 145.4 Ų | 145.4 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | -178.2 | 114.4 | 136 | -81.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 165 | H | 46.7 | Very low | 43 | Very low | 139 Ų | 139 | 142.6 Ų | 142.6 | 64% | 0.644 | 79% | 0.788 | S | S | * | * | trans | 60 | 116.4 | 136.3 | -67.3 | -96.6 | 0 | 0 | 0 | 120.7 | ||||
| 166 | Q | 46.1 | Very low | 42.9 | Very low | 165 Ų | 165 | 149 Ų | 149 | 77% | 0.771 | 80% | 0.798 | S | S | * | * | 85.7 | 132.3 | 108.6 | -74.1 | 176.8 | 2.1 | 0 | 0 | 112.1 | |||||
| 167 | S | 43.3 | Very low | 43 | Very low | 105 Ų | 105 | 147.4 Ų | 147.4 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | cis | -177.8 | -177.1 | 40.9 | -125 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 168 | P | 46.2 | Very low | 43.2 | Very low | 117 Ų | 117 | 149 Ų | 149 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | -131.3 | 175.5 | -121.9 | 36.7 | -14.9 | 0 | 0 | 0 | 116 | |||||
| 169 | S | 47.3 | Very low | 43.3 | Very low | 101 Ų | 101 | 149.8 Ų | 149.8 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | -160.1 | 105.5 | 152.6 | 56.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 170 | S | 42.2 | Very low | 43.6 | Very low | 93 Ų | 93 | 148.2 Ų | 148.2 | 65% | 0.65 | 79% | 0.787 | S | S | * | * | 67.9 | 86 | 79.1 | 77.4 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 171 | W | 49.4 | Very low | 43.8 | Very low | 254 Ų | 254 | 150 Ų | 150 | 96% | 0.962 | 79% | 0.792 | S | S | * | * | trans | -122.8 | 132.4 | 147.3 | -75.2 | 79.2 | 0 | 0 | 0 | 108.7 | ||||
| 172 | N | 47.4 | Very low | 43.6 | Very low | 149 Ų | 149 | 148.4 Ų | 148.4 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | -78.4 | 150.3 | -152.2 | -68.8 | -40.1 | 0 | 0 | 0 | 115 | ||||
| 173 | K | 40.8 | Very low | 43.7 | Very low | 207 Ų | 207 | 151 Ų | 151 | 90% | 0.9 | 80% | 0.795 | S | S | * | * | trans | -72.5 | 120.9 | 167.3 | -119.2 | 173.2 | 177 | 177.5 | 0 | 109.3 | ||||
| 174 | E | 47.6 | Very low | 43.9 | Very low | 179 Ų | 179 | 151.9 Ų | 151.9 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | trans | -138.6 | 107.6 | 152.2 | -73.6 | -168.1 | 172.9 | 0 | 0 | 110.6 | ||||
| 175 | N | 40.9 | Very low | 44.6 | Very low | 149 Ų | 149 | 152.1 Ų | 152.1 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | 36 | 94.3 | 142.2 | -63.6 | -35.2 | 0 | 0 | 0 | 118.9 | ||||
| 176 | Y | 42.2 | Very low | 44.6 | Very low | 238 Ų | 238 | 149.5 Ų | 149.5 | 93% | 0.933 | 79% | 0.789 | S | S | * | * | trans | -140.2 | 127.1 | 142.4 | -111.1 | -87.6 | 0 | 0 | 0 | 111.5 | ||||
| 177 | N | 42 | Very low | 45.1 | Very low | 138 Ų | 138 | 147.2 Ų | 147.2 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | trans | -66.9 | 131 | -169.4 | -165.6 | -1.9 | 0 | 0 | 0 | 112.7 | ||||
| 178 | P | 45.3 | Very low | 45.6 | Very low | 118 Ų | 118 | 150.4 Ų | 150.4 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | trans | -95 | 108.5 | 179.2 | 34.3 | -26.7 | 0 | 0 | 0 | 110.5 | ||||
| 179 | T | 40.2 | Very low | 45.7 | Very low | 125 Ų | 125 | 151.5 Ų | 151.5 | 77% | 0.767 | 79% | 0.793 | S | S | * | * | trans | -145.5 | 80.3 | 163.5 | -54.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 180 | S | 46 | Very low | 45.8 | Very low | 112 Ų | 112 | 149.7 Ų | 149.7 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | -176.7 | 91.8 | 147 | 54.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 181 | Q | 47.4 | Very low | 46.7 | Very low | 184 Ų | 184 | 149.9 Ų | 149.9 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | 26.7 | 108.5 | 137.2 | -56.7 | -172.3 | -14.4 | 0 | 0 | 119.1 | ||||
| 182 | N | 34.9 | Very low | 46.8 | Very low | 155 Ų | 155 | 144.9 Ų | 144.9 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | trans | 52.6 | 92.9 | 130.6 | -61.5 | -20.3 | 0 | 0 | 0 | 119.1 | ||||
| 183 | L | 46.5 | Very low | 47 | Very low | 166 Ų | 166 | 141.3 Ų | 141.3 | 87% | 0.869 | 76% | 0.757 | S | S | * | * | trans | -151.8 | 84.4 | 138.8 | -99.6 | 159.3 | 0 | 0 | 0 | 107 | I185 | L183-I185 PolarHBondContact O-N 2.81Š| ||
| 184 | L | 41.3 | Very low | 47.2 | Very low | 174 Ų | 174 | 136.4 Ų | 136.4 | 91% | 0.911 | 75% | 0.746 | S | S | * | * | trans | -65.4 | 99.9 | 168.2 | -132.7 | 87.6 | 0 | 0 | 0 | 106.5 | P186 | L184-P186 WeakPolarHBondContact O-CD 3.38Š| ||
| 185 | I | 52.5 | Low | 47.8 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 65% | 0.646 | 75% | 0.747 | S | S | * | * | trans | -73.3 | 120.5 | 167.6 | -60.1 | 173.3 | 0 | 0 | 0 | 105.4 | L183 S187 | L183-I185 PolarHBondContact O-N 2.81Å; I185-S187 PolarHBondContact O-N 2.95Å | ||
| 186 | P | 47.7 | Very low | 48.6 | Very low | 84 Ų | 84 | 138.7 Ų | 138.7 | 55% | 0.545 | 75% | 0.747 | S | S | . | * | trans | -55.7 | 132.4 | 174.8 | -21.8 | 32.2 | 0 | 0 | 0 | 109.6 | L184 E188 L189 | L184-P186 WeakPolarHBondContact O-CD 3.38Å; P186-E188 PolarHBondContact O-N 3.38Å; P186-L189 PolarHBondContact O-N 2.91Å | ||
| 187 | S | 55.3 | Low | 48.9 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -57.6 | -1 | 179.5 | -55.4 | 0 | 0 | 0 | 0 | 114.9 | I185 | I185-S187 PolarHBondContact O-N 2.95Š|
| 188 | E | 54.3 | Low | 49.5 | Very low | 172 Ų | 172 | 136.7 Ų | 136.7 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -90.5 | -5.8 | -179.2 | -54 | -165.8 | 174.3 | 0 | 0 | 113.9 | P186 | P186-E188 PolarHBondContact O-N 3.38Š|
| 189 | L | 49.1 | Very low | 49.5 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 73% | 0.728 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -104.4 | 20.6 | 177 | -72 | 167.7 | 0 | 0 | 0 | 113.6 | P186 A191 | P186-L189 PolarHBondContact O-N 2.91Å; L189-A191 PolarHBondContact O-N 3.33Å |
| 190 | S | 48.9 | Very low | 50 | Low | 63 Ų | 63 | 140.9 Ų | 140.9 | 44% | 0.441 | 74% | 0.743 | S | S | . | * | trans | -64.2 | 120.2 | 170.2 | -176.5 | 0 | 0 | 0 | 0 | 109.4 | F192 T193 | S190-F192 PolarHBondContact O-N 3.41Å; S190-F192 PolarHBondContact OG-N 3.11Å; S190-T193 PolarHBondContact O-N 3Å; S190-T193 VanDerWaalsContact O-N 3.09Å; S190-T193 PolarHBondContact O-OG1 3.22Å | ||
| 191 | A | 61.9 | Low | 49.9 | Very low | 98 Ų | 98 | 141.1 Ų | 141.1 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | 3.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L189 | L189-A191 PolarHBondContact O-N 3.33Š|
| 192 | F | 50.1 | Low | 49.6 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 65% | 0.654 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.7 | 9.7 | 178.5 | -67.1 | -78.5 | 0 | 0 | 0 | 113.6 | S190 P194 | S190-F192 PolarHBondContact O-N 3.41Å; S190-F192 PolarHBondContact OG-N 3.11Å; F192-P194 VanDerWaalsContact O-CD 3.24Å; F192-P194 WeakPolarHBondContact O-CD 3.44Å |
| 193 | T | 52 | Low | 50.1 | Low | 74 Ų | 74 | 139.4 Ų | 139.4 | 45% | 0.454 | 74% | 0.741 | S | S | . | * | trans | -70.9 | 117.1 | 171 | -13.6 | 0 | 0 | 0 | 0 | 108.3 | S190 I195 | S190-T193 PolarHBondContact O-N 3Å; S190-T193 VanDerWaalsContact O-N 3.09Å; S190-T193 PolarHBondContact O-OG1 3.22Å; T193-I195 PolarHBondContact O-N 3.33Å | ||
| 194 | P | 45.6 | Very low | 49.9 | Very low | 103 Ų | 103 | 139.6 Ų | 139.6 | 67% | 0.669 | 74% | 0.737 | S | S | * | * | trans | -56.6 | 136.6 | 174.5 | -19 | 30.8 | 0 | 0 | 0 | 108.6 | F192 R196 | F192-P194 VanDerWaalsContact O-CD 3.24Å; F192-P194 WeakPolarHBondContact O-CD 3.44Å; P194-R196 VanDerWaalsContact C-N 3.25Å; P194-R196 PolarHBondContact O-N 2.81Å | ||
| 195 | I | 59.1 | Low | 49.8 | Very low | 167 Ų | 167 | 137.4 Ų | 137.4 | 86% | 0.856 | 73% | 0.726 | S | S | * | * | trans | -58.4 | 92.9 | 173.8 | -57.5 | 171.6 | 0 | 0 | 0 | 107.1 | T193 K197 | T193-I195 PolarHBondContact O-N 3.33Å; I195-K197 PolarHBondContact O-N 2.73Å | ||
| 196 | R | 57.6 | Low | 49.4 | Very low | 210 Ų | 210 | 140.9 Ų | 140.9 | 79% | 0.792 | 74% | 0.737 | S | S | * | * | trans | -69.3 | 117.4 | 167.7 | -66.1 | -172.7 | -160.4 | 179.4 | 6.7 | 104.9 | P194 I198 | P194-R196 VanDerWaalsContact C-N 3.25Å; P194-R196 PolarHBondContact O-N 2.81Å; R196-I198 PolarHBondContact O-N 2.72Å | ||
| 197 | K | 50 | Low | 49 | Very low | 196 Ų | 196 | 144.9 Ų | 144.9 | 85% | 0.852 | 75% | 0.754 | S | S | * | * | trans | -55.7 | 103.5 | 170 | -66.2 | -177.4 | 177.8 | -177.2 | 0 | 107.2 | I195 K199 | I195-K197 PolarHBondContact O-N 2.73Å; K197-K199 PolarHBondContact O-N 3.22Å; K197-K199 VanDerWaalsContact O-N 3.13Å | ||
| 198 | I | 53 | Low | 48.4 | Very low | 137 Ų | 137 | 147.7 Ų | 147.7 | 70% | 0.703 | 75% | 0.754 | S | S | * | * | trans | -67.4 | 110.5 | 168.9 | -55.8 | 177 | 0 | 0 | 0 | 104.7 | R196 D200 | R196-I198 PolarHBondContact O-N 2.72Å; I198-D200 WeakPolarHBondContact CG2-OD1 3.33Å; I198-D200 PolarHBondContact O-N 3.12Å | ||
| 199 | K | 46.6 | Very low | 47.6 | Very low | 190 Ų | 190 | 146.6 Ų | 146.6 | 83% | 0.826 | 75% | 0.747 | S | S | * | * | trans | -77.4 | 95.7 | 166.2 | -88.9 | -179.1 | 172.4 | -178.9 | 0 | 105.9 | K197 T201 | K197-K199 PolarHBondContact O-N 3.22Å; K197-K199 VanDerWaalsContact O-N 3.13Å; K199-T201 PolarHBondContact O-N 3.49Å | ||
| 200 | D | 49.8 | Very low | 47 | Very low | 141 Ų | 141 | 147.9 Ų | 147.9 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | trans | -73.6 | 92.3 | 170 | -69.6 | -35.7 | 0 | 0 | 0 | 108.9 | I198 | I198-D200 WeakPolarHBondContact CG2-OD1 3.33Å; I198-D200 PolarHBondContact O-N 3.12Å | ||
| 201 | T | 45 | Very low | 46.8 | Very low | 118 Ų | 118 | 153.6 Ų | 153.6 | 72% | 0.724 | 77% | 0.767 | S | S | * | * | trans | -82.1 | 128.1 | 151 | 49.6 | 0 | 0 | 0 | 0 | 106.8 | K199 | K199-T201 PolarHBondContact O-N 3.49Š| ||
| 202 | T | 40.3 | Very low | 45.7 | Very low | 127 Ų | 127 | 157.3 Ų | 157.3 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | trans | 75.4 | 89.2 | 171.3 | 75.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 203 | L | 45.2 | Very low | 45.2 | Very low | 176 Ų | 176 | 155.6 Ų | 155.6 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | -167.8 | 112.9 | 127.8 | -104.8 | 152.7 | 0 | 0 | 0 | 110.7 | |||||
| 204 | H | 42.7 | Very low | 45.2 | Very low | 170 Ų | 170 | 157.5 Ų | 157.5 | 79% | 0.787 | 79% | 0.786 | S | S | * | * | trans | -58.5 | 153.9 | 164.4 | -120.6 | -84.3 | 0 | 0 | 0 | 110 | ||||
| 205 | D | 38.7 | Very low | 45.1 | Very low | 128 Ų | 128 | 158.4 Ų | 158.4 | 68% | 0.684 | 79% | 0.792 | S | S | * | * | trans | 82.4 | 79.6 | 169.7 | -64.3 | -16.5 | 0 | 0 | 0 | 118.7 | ||||
| 206 | F | 45 | Very low | 45.3 | Very low | 199 Ų | 199 | 157.7 Ų | 157.7 | 87% | 0.873 | 79% | 0.788 | S | S | * | * | trans | -150 | 68 | 143.1 | -82.5 | -69.8 | 0 | 0 | 0 | 111 | Q208 | F206-Q208 PolarHBondContact O-N 3.18Š| ||
| 207 | N | 38.8 | Very low | 44.8 | Very low | 167 Ų | 167 | 153.1 Ų | 153.1 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | trans | -79.7 | 80.6 | 161.5 | -84.7 | -24.6 | 0 | 0 | 0 | 109.4 | ||||
| 208 | Q | 42.1 | Very low | 45 | Very low | 177 Ų | 177 | 151 Ų | 151 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | 178.5 | 72.1 | 157.3 | -109.1 | 174 | 34.6 | 0 | 0 | 112.2 | F206 | F206-Q208 PolarHBondContact O-N 3.18Š| ||
| 209 | F | 38.7 | Very low | 45.1 | Very low | 150 Ų | 150 | 149.7 Ų | 149.7 | 66% | 0.658 | 78% | 0.784 | S | S | * | * | trans | -144.6 | 84.6 | 159.1 | -83.5 | -70.4 | 0 | 0 | 0 | 109.9 | Y211 | F209-Y211 HydrophobicContact CB-CD2 3.92Å; F209-Y211 HydrophobicContact CB-CE2 3.79Å; F209-Y211 HydrophobicContact CD1-CD2 4.27Å; F209-Y211 AromaticContact CD1-CE2 3.4Å; F209-Y211 HydrophobicContact CD1-CE2 3.4Å; F209-Y211 AromaticContact CD1-CZ 3.82Å; F209-Y211 HydrophobicContact CE1-CE2 4.27Å; F209-Y211 HydrophobicContact CG-CD2 4.46Å; F209-Y211 AromaticContact CG-CE2 3.83Å; F209-Y211 HydrophobicContact CG-CE2 3.83Å; F209-Y211 PolarHBondContact O-N 3.19Å; F209-Y211 VanDerWaalsContact O-N 3.15Å | ||
| 210 | N | 35.9 | Very low | 45.1 | Very low | 165 Ų | 165 | 150.1 Ų | 150.1 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | trans | -77 | 89.4 | 166.8 | -109.1 | -19 | 0 | 0 | 0 | 108.6 | ||||
| 211 | Y | 43.9 | Very low | 45 | Very low | 183 Ų | 183 | 150.5 Ų | 150.5 | 72% | 0.718 | 79% | 0.786 | S | S | * | * | trans | -92.1 | 86.7 | 164.2 | -73.2 | -78.1 | 0 | 0 | 0 | 108.9 | F209 S213 | F209-Y211 HydrophobicContact CB-CD2 3.92Å; F209-Y211 HydrophobicContact CB-CE2 3.79Å; F209-Y211 HydrophobicContact CD1-CD2 4.27Å; F209-Y211 AromaticContact CD1-CE2 3.4Å; F209-Y211 HydrophobicContact CD1-CE2 3.4Å; F209-Y211 AromaticContact CD1-CZ 3.82Å; F209-Y211 HydrophobicContact CE1-CE2 4.27Å; F209-Y211 HydrophobicContact CG-CD2 4.46Å; F209-Y211 AromaticContact CG-CE2 3.83Å; F209-Y211 HydrophobicContact CG-CE2 3.83Å; F209-Y211 PolarHBondContact O-N 3.19Å; F209-Y211 VanDerWaalsContact O-N 3.15Å; Y211-S213 PolarHBondContact O-N 3.18Å; Y211-S213 VanDerWaalsContact O-N 3.15Å | ||
| 212 | Q | 40.4 | Very low | 45.1 | Very low | 177 Ų | 177 | 152.9 Ų | 152.9 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | trans | -75.5 | 95.6 | 160.9 | -86.4 | -178.5 | -16.2 | 0 | 0 | 108.1 | T214 | Q212-T214 PolarHBondContact O-N 3.19Š| ||
| 213 | S | 39.8 | Very low | 45.2 | Very low | 112 Ų | 112 | 153.9 Ų | 153.9 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | -81.1 | 96.9 | 165.9 | -62.1 | 0 | 0 | 0 | 0 | 107.9 | Y211 | Y211-S213 PolarHBondContact O-N 3.18Å; Y211-S213 VanDerWaalsContact O-N 3.15Å | ||
| 214 | T | 50.8 | Low | 45 | Very low | 114 Ų | 114 | 152.7 Ų | 152.7 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 133.4 | 165.2 | 34.5 | 0 | 0 | 0 | 0 | 109.1 | Q212 I216 | Q212-T214 PolarHBondContact O-N 3.19Å; T214-I216 PolarHBondContact O-N 3.08Å |
| 215 | P | 44.5 | Very low | 44.9 | Very low | 122 Ų | 122 | 150.2 Ų | 150.2 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -67 | 124.2 | 175.5 | 17.2 | -15.5 | 0 | 0 | 0 | 109.2 | P217 | P215-P217 WeakPolarHBondContact O-CD 3.41Š|
| 216 | I | 63.1 | Low | 45.1 | Very low | 152 Ų | 152 | 146.9 Ų | 146.9 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 117.7 | 171.9 | -62.5 | 170.7 | 0 | 0 | 0 | 107.3 | T214 L218 | T214-I216 PolarHBondContact O-N 3.08Å; I216-L218 PolarHBondContact O-N 3.04Å |
| 217 | P | 46.8 | Very low | 44.8 | Very low | 115 Ų | 115 | 146.8 Ų | 146.8 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 121.3 | 171.2 | 27.7 | -29.5 | 0 | 0 | 0 | 108.7 | P215 | P215-P217 WeakPolarHBondContact O-CD 3.41Š|
| 218 | L | 53.5 | Low | 45.3 | Very low | 150 Ų | 150 | 149.8 Ų | 149.8 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 142.4 | 170.3 | -74.1 | 164.6 | 0 | 0 | 0 | 109.2 | I216 F220 | I216-L218 PolarHBondContact O-N 3.04Å; L218-F220 PolarHBondContact O-N 2.98Å |
| 219 | P | 55.7 | Low | 45.3 | Very low | 110 Ų | 110 | 149 Ų | 149 | 71% | 0.714 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 130.6 | 175.2 | 24.1 | -31.5 | 0 | 0 | 0 | 109.6 | I221 | P219-I221 PolarHBondContact O-N 3.16Å; P219-I221 VanDerWaalsContact O-N 3.08Å |
| 220 | F | 46.6 | Very low | 45.8 | Very low | 200 Ų | 200 | 149.4 Ų | 149.4 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | trans | -56.3 | 114.7 | 168.6 | -82 | -91.9 | 0 | 0 | 0 | 108.1 | L218 Q222 | L218-F220 PolarHBondContact O-N 2.98Å; F220-Q222 VanDerWaalsContact C-N 3.33Å; F220-Q222 PolarHBondContact O-N 3.37Å | ||
| 221 | I | 47.8 | Very low | 46 | Very low | 149 Ų | 149 | 148 Ų | 148 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | -65.9 | 100.2 | 167.6 | -58.7 | 175 | 0 | 0 | 0 | 105.6 | P219 N223 | P219-I221 PolarHBondContact O-N 3.16Å; P219-I221 VanDerWaalsContact O-N 3.08Å; I221-N223 PolarHBondContact O-N 3.33Å | ||
| 222 | Q | 46 | Very low | 46.1 | Very low | 168 Ų | 168 | 146.9 Ų | 146.9 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -64.2 | 117.1 | 161.9 | -85.2 | 176.9 | -48.2 | 0 | 0 | 106.3 | F220 D224 | F220-Q222 VanDerWaalsContact C-N 3.33Å; F220-Q222 PolarHBondContact O-N 3.37Å; Q222-D224 PolarHBondContact O-N 3.3Å | ||
| 223 | N | 43.3 | Very low | 45.9 | Very low | 148 Ų | 148 | 144 Ų | 144 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | -67 | 81.5 | 170.7 | -67.8 | -21.3 | 0 | 0 | 0 | 108.3 | I221 S225 | I221-N223 PolarHBondContact O-N 3.33Å; N223-S225 PolarHBondContact O-N 2.89Å; N223-S225 VanDerWaalsContact O-N 3.13Å | ||
| 224 | D | 41.3 | Very low | 45.9 | Very low | 150 Ų | 150 | 144.4 Ų | 144.4 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | trans | -74.7 | 96.9 | 162.6 | -98.4 | -17.9 | 0 | 0 | 0 | 107.4 | Q222 G226 | Q222-D224 PolarHBondContact O-N 3.3Å; D224-G226 PolarHBondContact O-N 3.13Å | ||
| 225 | S | 40.4 | Very low | 45.1 | Very low | 118 Ų | 118 | 144 Ų | 144 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -67.1 | 77.6 | 164.6 | 60.8 | 0 | 0 | 0 | 0 | 108.9 | N223 | N223-S225 PolarHBondContact O-N 2.89Å; N223-S225 VanDerWaalsContact O-N 3.13Å | ||
| 226 | G | 43.2 | Very low | 44.9 | Very low | 58 Ų | 58 | 146.1 Ų | 146.1 | 60% | 0.598 | 78% | 0.781 | S | S | * | * | trans | -98.2 | 97.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D224 | D224-G226 PolarHBondContact O-N 3.13Š| ||
| 227 | Y | 38.3 | Very low | 43.6 | Very low | 197 Ų | 197 | 146.5 Ų | 146.5 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | 30.4 | 108.4 | 143.1 | -75.2 | -95.7 | 0 | 0 | 0 | 119 | ||||
| 228 | Y | 48.6 | Very low | 43.4 | Very low | 231 Ų | 231 | 148.9 Ų | 148.9 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | trans | -146.3 | 95.1 | 133.1 | -82.7 | -75.7 | 0 | 0 | 0 | 108.8 | M230 | Y228-M230 PolarHBondContact O-N 3.01Š| ||
| 229 | E | 42.2 | Very low | 42.4 | Very low | 160 Ų | 160 | 149.1 Ų | 149.1 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -66.1 | 108.5 | 160.3 | -85.1 | 178.3 | 144.3 | 0 | 0 | 108.2 | ||||
| 230 | M | 50.1 | Low | 42.3 | Very low | 158 Ų | 158 | 153.2 Ų | 153.2 | 78% | 0.778 | 79% | 0.792 | S | S | * | * | trans | -95 | 102.3 | 159.4 | -107.5 | -169.2 | -88.7 | 0 | 0 | 108.3 | Y228 H232 | Y228-M230 PolarHBondContact O-N 3.01Å; M230-H232 PolarHBondContact O-N 3.19Å; M230-H232 VanDerWaalsContact O-N 3.16Å | ||
| 231 | N | 39.1 | Very low | 42.2 | Very low | 136 Ų | 136 | 150 Ų | 150 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -61.1 | 107.6 | 170 | -74.3 | -45.7 | 0 | 0 | 0 | 110.1 | ||||
| 232 | H | 47.3 | Very low | 42.2 | Very low | 160 Ų | 160 | 148.9 Ų | 148.9 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | -110.1 | 102.4 | 157.9 | -70.6 | -60.7 | 0 | 0 | 0 | 108.6 | M230 S234 | M230-H232 PolarHBondContact O-N 3.19Å; M230-H232 VanDerWaalsContact O-N 3.16Å; H232-S234 PolarHBondContact O-N 3.14Å | ||
| 233 | S | 35.7 | Very low | 42.3 | Very low | 116 Ų | 116 | 146.7 Ų | 146.7 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | -50.6 | 115.5 | 170.7 | -50.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 234 | S | 39.2 | Very low | 42 | Very low | 120 Ų | 120 | 148.8 Ų | 148.8 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | -151.7 | 106 | 153.7 | -80.6 | 0 | 0 | 0 | 0 | 109.3 | H232 | H232-S234 PolarHBondContact O-N 3.14Š| ||
| 235 | S | 34.4 | Very low | 42 | Very low | 107 Ų | 107 | 149.4 Ų | 149.4 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -30 | 124 | 166 | 176.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 236 | L | 40.3 | Very low | 41.7 | Very low | 165 Ų | 165 | 154.7 Ų | 154.7 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | -172 | 120.8 | 124.1 | -111.3 | 123.6 | 0 | 0 | 0 | 110.1 | I238 | L236-I238 PolarHBondContact O-N 3.15Š| |||
| 237 | L | 36.6 | Very low | 41.4 | Very low | 161 Ų | 161 | 156.1 Ų | 156.1 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | -57.7 | 122 | 175.1 | -77.1 | 89.5 | 0 | 0 | 0 | 111.5 | ||||
| 238 | I | 41.6 | Very low | 41.8 | Very low | 164 Ų | 164 | 152.5 Ų | 152.5 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | trans | -148 | 110.4 | 136 | -56.9 | -172.7 | 0 | 0 | 0 | 108.7 | L236 | L236-I238 PolarHBondContact O-N 3.15Š| ||
| 239 | H | 33.7 | Very low | 41.3 | Very low | 156 Ų | 156 | 151.7 Ų | 151.7 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | trans | -86.1 | 114.3 | 177.1 | 174.6 | -56.3 | 0 | 0 | 0 | 110.5 | ||||
| 240 | K | 51.6 | Low | 41.5 | Very low | 195 Ų | 195 | 152.5 Ų | 152.5 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | trans | -148.2 | 125 | 153.6 | -72.7 | -163.1 | 177.7 | 177.3 | 0 | 111.6 | ||||
| 241 | N | 45.2 | Very low | 41.1 | Very low | 134 Ų | 134 | 149.4 Ų | 149.4 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 146.6 | -179.4 | -78.5 | -43.4 | 0 | 0 | 0 | 114.7 | ||
| 242 | P | 47.8 | Very low | 41.3 | Very low | 124 Ų | 124 | 149.8 Ų | 149.8 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 120.4 | 165.3 | 32.3 | -27.6 | 0 | 0 | 0 | 110.9 | ||
| 243 | V | 47.7 | Very low | 40.9 | Very low | 123 Ų | 123 | 149.3 Ų | 149.3 | 75% | 0.745 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 118.7 | 168.2 | 174.3 | 0 | 0 | 0 | 0 | 108.5 | L245 | V243-L245 HydrophobicContact CG1-CG 4.41Å; V243-L245 PolarHBondContact O-N 3.31Å |
| 244 | H | 37.8 | Very low | 41 | Very low | 192 Ų | 192 | 152.6 Ų | 152.6 | 89% | 0.889 | 79% | 0.791 | S | S | * | * | trans | -68.3 | 113.5 | 167.8 | -110.7 | -77.9 | 0 | 0 | 0 | 109.6 | ||||
| 245 | L | 40.6 | Very low | 40.9 | Very low | 162 Ų | 162 | 153.9 Ų | 153.9 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | trans | -100.8 | 112.9 | 166.1 | -73.7 | 173.1 | 0 | 0 | 0 | 109.7 | V243 | V243-L245 HydrophobicContact CG1-CG 4.41Å; V243-L245 PolarHBondContact O-N 3.31Å | ||
| 246 | R | 34.9 | Very low | 40.8 | Very low | 229 Ų | 229 | 159.3 Ų | 159.3 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -82.5 | 116.7 | 169.3 | -174.2 | -178 | -170.5 | -174.8 | 2.8 | 107.8 | ||||
| 247 | A | 36.5 | Very low | 40.9 | Very low | 89 Ų | 89 | 157.2 Ų | 157.2 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | trans | -85.4 | 119.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 248 | T | 46.9 | Very low | 41.1 | Very low | 121 Ų | 121 | 155.3 Ų | 155.3 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | trans | -110.1 | 114.9 | 162.7 | 38.1 | 0 | 0 | 0 | 0 | 108.2 | M250 | T248-M250 PolarHBondContact O-N 2.92Š| ||
| 249 | Y | 37.4 | Very low | 41.1 | Very low | 214 Ų | 214 | 157 Ų | 157 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | trans | -61.7 | 124.8 | 170.7 | -87.3 | -103.1 | 0 | 0 | 0 | 109.9 | ||||
| 250 | M | 46.9 | Very low | 41.2 | Very low | 176 Ų | 176 | 155.2 Ų | 155.2 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | -143.4 | 132.9 | 152.9 | -81 | -67.8 | 100.6 | 0 | 0 | 108.2 | T248 | T248-M250 PolarHBondContact O-N 2.92Š| ||
| 251 | S | 41.7 | Very low | 40.8 | Very low | 94 Ų | 94 | 151.3 Ų | 151.3 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | trans | -64.3 | 138 | -178.9 | 48.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 252 | N | 43.6 | Very low | 40.3 | Very low | 144 Ų | 144 | 150.5 Ų | 150.5 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | 155.3 | 109 | 129.2 | -77.3 | -6.9 | 0 | 0 | 0 | 110.5 | |||||
| 253 | E | 39.6 | Very low | 39.9 | Very low | 150 Ų | 150 | 149.6 Ų | 149.6 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | 41.1 | 121.1 | 128.4 | -80 | -168 | 155.3 | 0 | 0 | 121.7 | |||||
| 254 | Y | 37.2 | Very low | 39.4 | Very low | 185 Ų | 185 | 153 Ų | 153 | 73% | 0.725 | 80% | 0.799 | S | S | * | * | trans | 99.9 | 119.6 | 136.4 | -73.5 | -54.5 | 0 | 0 | 0 | 122.6 | ||||
| 255 | I | 37.3 | Very low | 39.4 | Very low | 146 Ų | 146 | 149.7 Ų | 149.7 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | trans | 95.4 | 111.8 | 137.4 | -60.8 | 155.9 | 0 | 0 | 0 | 118.1 | ||||
| 256 | Y | 32.1 | Very low | 39.3 | Very low | 221 Ų | 221 | 149.7 Ų | 149.7 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | trans | -86.4 | 133 | 166.5 | -113.7 | -97.6 | 0 | 0 | 0 | 110.3 | ||||
| 257 | T | 43.3 | Very low | 39.4 | Very low | 121 Ų | 121 | 143.5 Ų | 143.5 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | trans | -138.9 | 125.9 | 153.4 | 48 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 258 | P | 40.5 | Very low | 39.8 | Very low | 122 Ų | 122 | 147.1 Ų | 147.1 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 117.9 | 170.2 | 31.7 | -23.8 | 0 | 0 | 0 | 109.6 | ||
| 259 | Q | 40.4 | Very low | 39.5 | Very low | 199 Ų | 199 | 148 Ų | 148 | 93% | 0.93 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 123.8 | 166.8 | -94.5 | -175.6 | -23.6 | 0 | 0 | 110.3 | ||
| 260 | S | 36.7 | Very low | 39.5 | Very low | 119 Ų | 119 | 142.8 Ų | 142.8 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 137.5 | 167.3 | 45.9 | 0 | 0 | 0 | 0 | 111.3 | ||
| 261 | S | 42.2 | Very low | 39.5 | Very low | 113 Ų | 113 | 144 Ų | 144 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | -153.4 | 104.2 | 152.9 | 47.3 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 262 | C | 36.1 | Very low | 39.5 | Very low | 116 Ų | 116 | 147.4 Ų | 147.4 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | 70.5 | 101.5 | 88.2 | -160.7 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 263 | S | 38 | Very low | 39.2 | Very low | 105 Ų | 105 | 148.8 Ų | 148.8 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | 56.6 | 112.3 | 135.8 | -49.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 264 | Q | 37.8 | Very low | 39 | Very low | 195 Ų | 195 | 147.4 Ų | 147.4 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | -158.7 | 121.1 | 125.3 | -111 | 166.9 | 11.6 | 0 | 0 | 111.4 | |||||
| 265 | T | 37.2 | Very low | 39.3 | Very low | 123 Ų | 123 | 148.9 Ų | 148.9 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | trans | -60.2 | 142.1 | 170.8 | 47.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 266 | N | 39 | Very low | 39.5 | Very low | 162 Ų | 162 | 149.9 Ų | 149.9 | 87% | 0.866 | 81% | 0.81 | S | S | * | * | trans | -160.8 | 110.7 | 139.8 | -88.3 | -31.6 | 0 | 0 | 0 | 110.1 | ||||
| 267 | S | 37.3 | Very low | 39.9 | Very low | 99 Ų | 99 | 146.1 Ų | 146.1 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | trans | -73.2 | 129.2 | 168.1 | -179.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 268 | I | 44.7 | Very low | 39.7 | Very low | 164 Ų | 164 | 148.8 Ų | 148.8 | 84% | 0.841 | 81% | 0.812 | S | S | * | * | trans | -130.8 | 101.6 | 161.2 | -60.6 | -179.3 | 0 | 0 | 0 | 107.5 | ||||
| 269 | I | 40.8 | Very low | 39.8 | Very low | 139 Ų | 139 | 150 Ų | 150 | 71% | 0.713 | 81% | 0.812 | S | S | * | * | trans | -75.6 | 153.4 | 164.6 | -65.7 | 169.4 | 0 | 0 | 0 | 108.1 | ||||
| 270 | S | 37.2 | Very low | 39.6 | Very low | 105 Ų | 105 | 148.1 Ų | 148.1 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | trans | 100.5 | 102 | 160.8 | -49.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 271 | K | 47.3 | Very low | 39.8 | Very low | 201 Ų | 201 | 149.8 Ų | 149.8 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | 168.5 | 120.8 | 148.3 | -94.7 | 164.1 | -170.6 | -174.9 | 0 | 105.4 | ||||
| 272 | L | 41.3 | Very low | 39.7 | Very low | 167 Ų | 167 | 153.4 Ų | 153.4 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | cis | -157.6 | 144.4 | 26.2 | -83.6 | 121.1 | 0 | 0 | 0 | 108.8 | ||||
| 273 | Q | 37.4 | Very low | 40 | Very low | 173 Ų | 173 | 155 Ų | 155 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | trans | -96.5 | 155.2 | 168.8 | -117.3 | 175.2 | -34.3 | 0 | 0 | 109.8 | ||||
| 274 | T | 34.7 | Very low | 40.1 | Very low | 120 Ų | 120 | 157.9 Ų | 157.9 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | trans | 69.7 | 114.1 | 148 | 53.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 275 | K | 44.4 | Very low | 40.1 | Very low | 217 Ų | 217 | 153.8 Ų | 153.8 | 94% | 0.943 | 80% | 0.796 | S | S | * | * | -150.7 | 119.6 | 128.8 | -109.4 | 177.4 | -178.6 | -174.6 | 0 | 110.8 | |||||
| 276 | E | 42.1 | Very low | 40.1 | Very low | 167 Ų | 167 | 155.8 Ų | 155.8 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | trans | -77 | 159.8 | 176.5 | -70.9 | 171.4 | 115.3 | 0 | 0 | 113.2 | ||||
| 277 | N | 39.5 | Very low | 40.2 | Very low | 142 Ų | 142 | 156.9 Ų | 156.9 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | trans | 49.3 | 111 | 139.5 | -73.3 | -34 | 0 | 0 | 0 | 119.9 | ||||
| 278 | I | 39.9 | Very low | 40.1 | Very low | 176 Ų | 176 | 160.2 Ų | 160.2 | 90% | 0.903 | 81% | 0.806 | S | S | * | * | trans | -137.5 | 132.9 | 134.6 | -61.8 | -174 | 0 | 0 | 0 | 109.6 | ||||
| 279 | L | 41.6 | Very low | 39.9 | Very low | 149 Ų | 149 | 158.7 Ų | 158.7 | 78% | 0.78 | 81% | 0.805 | S | S | * | * | trans | -73.4 | 165.4 | -172.6 | -157.3 | 81.5 | 0 | 0 | 0 | 114.1 | ||||
| 280 | E | 37.3 | Very low | 40.2 | Very low | 158 Ų | 158 | 158.2 Ų | 158.2 | 74% | 0.738 | 81% | 0.808 | S | S | * | * | trans | -35.1 | 151.2 | 170.2 | -58.2 | 169 | 153.4 | 0 | 0 | 118.8 | ||||
| 281 | N | 40.1 | Very low | 40.8 | Very low | 155 Ų | 155 | 162.6 Ų | 162.6 | 83% | 0.829 | 81% | 0.814 | S | S | * | * | trans | 153.6 | 122.8 | 147.7 | -78.7 | -17.9 | 0 | 0 | 0 | 105.9 | ||||
| 282 | E | 39.2 | Very low | 40.9 | Very low | 189 Ų | 189 | 160.8 Ų | 160.8 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | -170.2 | 138.2 | 60.8 | -122.3 | 167.8 | -178.2 | 0 | 0 | 109.7 | |||||
| 283 | I | 43.4 | Very low | 41.3 | Very low | 148 Ų | 148 | 160 Ų | 160 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | trans | -75.2 | 136.1 | 164.8 | -59.4 | 167.9 | 0 | 0 | 0 | 107 | ||||
| 284 | H | 40.8 | Very low | 42.1 | Very low | 166 Ų | 166 | 156.3 Ų | 156.3 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | 176.9 | 109 | 133 | -90.6 | 18 | 0 | 0 | 0 | 111.7 | ||||
| 285 | T | 37.5 | Very low | 43 | Very low | 109 Ų | 109 | 157 Ų | 157 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | trans | 32.9 | 118.3 | 130.8 | 56.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 286 | N | 37.5 | Very low | 43.6 | Very low | 166 Ų | 166 | 156.6 Ų | 156.6 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | -162.2 | 138.5 | 122.1 | -89.3 | -35.6 | 0 | 0 | 0 | 112.5 | E288 | N286-E288 PolarHBondContact O-N 3.05Š| |||
| 287 | H | 40.8 | Very low | 44.5 | Very low | 184 Ų | 184 | 158.1 Ų | 158.1 | 85% | 0.852 | 78% | 0.778 | S | S | * | * | trans | -51.4 | 119.2 | -172.3 | -101.3 | -90.1 | 0 | 0 | 0 | 115.8 | ||||
| 288 | E | 35.4 | Very low | 45.8 | Very low | 170 Ų | 170 | 155.6 Ų | 155.6 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | -19.9 | 114 | 135.9 | -164.6 | 164 | -158.6 | 0 | 0 | 115.8 | N286 | N286-E288 PolarHBondContact O-N 3.05Š| ||
| 289 | T | 40.8 | Very low | 46.9 | Very low | 132 Ų | 132 | 158.2 Ų | 158.2 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | trans | -164.4 | 66.2 | 141.1 | 35.9 | 0 | 0 | 0 | 0 | 109.2 | K291 | T289-K291 VanDerWaalsContact C-N 3.35Å; T289-K291 PolarHBondContact O-N 3.24Å | ||
| 290 | T | 46 | Very low | 47.5 | Very low | 129 Ų | 129 | 159 Ų | 159 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | trans | -76 | 90 | 166.2 | 32.9 | 0 | 0 | 0 | 0 | 109 | E292 | T290-E292 VanDerWaalsContact C-N 3.28Å; T290-E292 PolarHBondContact O-N 2.96Å | ||
| 291 | K | 49.9 | Very low | 47.8 | Very low | 197 Ų | 197 | 162.6 Ų | 162.6 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | trans | -62.1 | 95.7 | 157.6 | -76 | 178.7 | 178 | 174.3 | 0 | 107.2 | T289 N293 | T289-K291 VanDerWaalsContact C-N 3.35Å; T289-K291 PolarHBondContact O-N 3.24Å; K291-N293 PolarHBondContact O-N 3.35Å | ||
| 292 | E | 48.7 | Very low | 48.2 | Very low | 163 Ų | 163 | 163 Ų | 163 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -63.5 | 85.1 | 168.4 | -72.5 | -170 | 164.9 | 0 | 0 | 109.4 | T290 I294 | T290-E292 VanDerWaalsContact C-N 3.28Å; T290-E292 PolarHBondContact O-N 2.96Å; E292-I294 HydrophobicContact CB-CG1 4.34Å; E292-I294 PolarHBondContact O-N 3.15Å | ||
| 293 | N | 50.4 | Low | 48.7 | Very low | 151 Ų | 151 | 161.6 Ų | 161.6 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | trans | -77.2 | 81.6 | 169 | -153.4 | 1.5 | 0 | 0 | 0 | 106.8 | K291 M295 | K291-N293 PolarHBondContact O-N 3.35Å; N293-M295 PolarHBondContact O-N 2.95Å | ||
| 294 | I | 54 | Low | 49 | Very low | 94 Ų | 94 | 162.4 Ų | 162.4 | 48% | 0.482 | 79% | 0.794 | S | S | . | * | trans | -68.9 | 82.5 | 174.3 | -56.4 | 175.3 | 0 | 0 | 0 | 107.5 | E292 W296 | E292-I294 HydrophobicContact CB-CG1 4.34Å; E292-I294 PolarHBondContact O-N 3.15Å; I294-W296 HydrophobicContact CG2-CG 4.46Å; I294-W296 PolarHBondContact O-N 2.76Å | ||
| 295 | M | 53.5 | Low | 49.5 | Very low | 134 Ų | 134 | 162.2 Ų | 162.2 | 66% | 0.66 | 80% | 0.795 | S | S | * | * | trans | -74.6 | 89.7 | 173.3 | -175.8 | 174.4 | 61.3 | 0 | 0 | 108.4 | N293 R297 | N293-M295 PolarHBondContact O-N 2.95Å; M295-R297 PolarHBondContact O-N 3.2Å | ||
| 296 | W | 57.7 | Low | 50.2 | Low | 210 Ų | 210 | 165.5 Ų | 165.5 | 80% | 0.795 | 80% | 0.803 | S | S | * | * | trans | -62.4 | 102.2 | 166.3 | -73 | 96.9 | 0 | 0 | 0 | 109.4 | I294 P298 | I294-W296 HydrophobicContact CG2-CG 4.46Å; I294-W296 PolarHBondContact O-N 2.76Å; W296-P298 WeakPolarHBondContact O-CD 3.19Å | ||
| 297 | R | 61.6 | Low | 51.1 | Low | 198 Ų | 198 | 165.5 Ų | 165.5 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | trans | -73.8 | 120.8 | 165.1 | -74.8 | -170.5 | 179.3 | -137.8 | 2.4 | 108.6 | M295 | M295-R297 PolarHBondContact O-N 3.2Š| ||
| 298 | P | 66.1 | Low | 51.8 | Low | 90 Ų | 90 | 164.1 Ų | 164.1 | 58% | 0.584 | 79% | 0.794 | S | S | * | * | trans | -71.4 | 132.9 | 164.9 | -4.5 | 22 | 0 | 0 | 0 | 108.2 | W296 L300 | W296-P298 WeakPolarHBondContact O-CD 3.19Å; P298-L300 PolarHBondContact O-N 3.22Å | ||
| 299 | Y | 63.7 | Low | 53.1 | Low | 231 Ų | 231 | 163.7 Ų | 163.7 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | trans | -43.4 | 129.9 | 170.7 | -67.9 | -90.9 | 0 | 0 | 0 | 111.1 | ||||
| 300 | L | 53.6 | Low | 54.1 | Low | 165 Ų | 165 | 166.3 Ų | 166.3 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -76.8 | 124.1 | 167.4 | -77.1 | 158.3 | 0 | 0 | 0 | 107.5 | P298 | P298-L300 PolarHBondContact O-N 3.22Š| ||
| 301 | D | 44.1 | Very low | 54.8 | Low | 234 Ų | 234 | 169.7 Ų | 169.7 | 100% | 1.251 | 79% | 0.792 | S | S | * | * | trans | -75.1 | 0 | 146.2 | -66.8 | -38.7 | 0 | 0 | 0 | 108.7 |
Retrieved 301 of 301 residues in 179.7 ms
(Link to these results)