| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 45.3 | Very low | 38 | Very low | 237 Ų | 237 | 162.1 Ų | 162.1 | 100% | 1.167 | 88% | 0.878 | S | S | * | * | 0 | 119.6 | 0 | -71.8 | -161 | -165.8 | 0 | 0 | 108.3 | |||||
| 2 | T | 38 | Very low | 38.7 | Very low | 143 Ų | 143 | 158.4 Ų | 158.4 | 88% | 0.877 | 87% | 0.868 | S | S | * | * | trans | 176.5 | 96.9 | 147.5 | 41 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 3 | S | 34.3 | Very low | 39.5 | Very low | 115 Ų | 115 | 159.9 Ų | 159.9 | 80% | 0.804 | 88% | 0.875 | S | S | * | * | trans | -82.4 | 131.1 | 173.8 | 62.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 4 | V | 39.1 | Very low | 39.8 | Very low | 137 Ų | 137 | 153.4 Ų | 153.4 | 83% | 0.83 | 86% | 0.862 | S | S | * | * | trans | -117.5 | 117.5 | 168.9 | 178.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 5 | L | 36.4 | Very low | 40.3 | Very low | 161 Ų | 161 | 152.1 Ų | 152.1 | 84% | 0.843 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 140 | 176.6 | -80.1 | 133.2 | 0 | 0 | 0 | 111.2 | ||
| 6 | Q | 36.1 | Very low | 41.4 | Very low | 184 Ų | 184 | 153.3 Ų | 153.3 | 86% | 0.86 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 136.6 | 168.4 | -70.9 | 176.9 | 3.8 | 0 | 0 | 110.2 | ||
| 7 | P | 43.2 | Very low | 41.9 | Very low | 123 Ų | 123 | 151.9 Ų | 151.9 | 80% | 0.799 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 133.1 | 174.6 | 30.5 | -30.9 | 0 | 0 | 0 | 111.6 | ||
| 8 | Q | 32.4 | Very low | 42.8 | Very low | 192 Ų | 192 | 151.7 Ų | 151.7 | 90% | 0.897 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 131.1 | 165.1 | -81.1 | 173.1 | -41.7 | 0 | 0 | 110 | ||
| 9 | K | 39.3 | Very low | 43.5 | Very low | 211 Ų | 211 | 148.9 Ų | 148.9 | 92% | 0.917 | 83% | 0.833 | S | S | * | * | trans | -91 | 108.1 | 167.3 | -96.8 | -178.2 | 174.9 | 177.2 | 0 | 109.3 | ||||
| 10 | E | 36.8 | Very low | 44.7 | Very low | 182 Ų | 182 | 146 Ų | 146 | 85% | 0.85 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 146.8 | 163.3 | -67.3 | 176.8 | 158.2 | 0 | 0 | 110.7 | ||
| 11 | A | 37 | Very low | 45 | Very low | 98 Ų | 98 | 150 Ų | 150 | 81% | 0.81 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 126 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 12 | P | 46.5 | Very low | 45.8 | Very low | 118 Ų | 118 | 145 Ų | 145 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 125.9 | 176 | 31.3 | -30.5 | 0 | 0 | 0 | 111.6 | G14 | P12-G14 PolarHBondContact O-N 3.22Å; P12-G14 VanDerWaalsContact O-N 3.08Å |
| 13 | N | 48.8 | Very low | 46.9 | Very low | 178 Ų | 178 | 149.1 Ų | 149.1 | 95% | 0.952 | 81% | 0.81 | S | S | * | * | trans | -60.5 | 103.5 | 156.7 | -82.6 | -21.9 | 0 | 0 | 0 | 108.4 | ||||
| 14 | G | 44.3 | Very low | 48.3 | Very low | 68 Ų | 68 | 149.1 Ų | 149.1 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | trans | -118.5 | 107.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | P12 Y16 | P12-G14 PolarHBondContact O-N 3.22Å; P12-G14 VanDerWaalsContact O-N 3.08Å; G14-Y16 PolarHBondContact O-N 2.95Å | ||
| 15 | T | 47.7 | Very low | 49.2 | Very low | 135 Ų | 135 | 149.2 Ų | 149.2 | 83% | 0.828 | 81% | 0.808 | S | S | * | * | trans | -60.5 | 122.8 | 156.9 | -39.8 | 0 | 0 | 0 | 0 | 108.7 | T17 | T15-T17 PolarHBondContact O-N 3.26Å; T15-T17 PolarHBondContact O-OG1 3.29Å | ||
| 16 | Y | 58 | Low | 50.5 | Low | 170 Ų | 170 | 149.5 Ų | 149.5 | 67% | 0.667 | 81% | 0.805 | S | S | * | * | trans | -66.2 | 115.4 | -174.6 | -179 | -102.1 | 0 | 0 | 0 | 111.3 | G14 F18 | G14-Y16 PolarHBondContact O-N 2.95Å; Y16-F18 HydrophobicContact CE1-CB 3.82Å | ||
| 17 | T | 48.4 | Very low | 51.5 | Low | 131 Ų | 131 | 148.2 Ų | 148.2 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -115.2 | 114.2 | 175.6 | -41.4 | 0 | 0 | 0 | 0 | 108.8 | T15 | T15-T17 PolarHBondContact O-N 3.26Å; T15-T17 PolarHBondContact O-OG1 3.29Å | ||
| 18 | F | 58.3 | Low | 52.1 | Low | 148 Ų | 148 | 153.9 Ų | 153.9 | 65% | 0.649 | 81% | 0.81 | S | S | * | * | trans | -96.7 | 122.9 | 179.7 | 178.6 | -100.9 | 0 | 0 | 0 | 110.3 | Y16 | Y16-F18 HydrophobicContact CE1-CB 3.82Š| ||
| 19 | A | 56.3 | Low | 53.5 | Low | 98 Ų | 98 | 151 Ų | 151 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | -133 | 120.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 20 | S | 67.2 | Low | 54.2 | Low | 91 Ų | 91 | 150.7 Ų | 150.7 | 64% | 0.636 | 80% | 0.804 | S | S | * | * | trans | -107.6 | 135.3 | 170.9 | 59.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 21 | R | 51.1 | Low | 54.8 | Low | 230 Ų | 230 | 152.7 Ų | 152.7 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | trans | -80.7 | 132.7 | 171.5 | -71.2 | -177.2 | 171.8 | 179.7 | -2.6 | 108.9 | R23 | R21-R23 PolarHBondContact O-N 3.17Š| ||
| 22 | P | 62.4 | Low | 55.1 | Low | 132 Ų | 132 | 159.9 Ų | 159.9 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | trans | -64.3 | 131.7 | 177.7 | 25.5 | -31.7 | 0 | 0 | 0 | 110.1 | ||||
| 23 | R | 60.9 | Low | 55 | Low | 229 Ų | 229 | 162.8 Ų | 162.8 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | trans | -117.4 | 137.2 | 173.7 | -73.1 | -170.1 | 176 | -152.8 | -0.1 | 109.6 | R21 | R21-R23 PolarHBondContact O-N 3.17Š| ||
| 24 | P | 64.3 | Low | 55 | Low | 116 Ų | 116 | 160.7 Ų | 160.7 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 148.8 | 177.4 | 28.3 | -32.7 | 0 | 0 | 0 | 111.8 | Q26 | P24-Q26 PolarHBondContact O-N 3.31Š|
| 25 | V | 58.5 | Low | 54.8 | Low | 138 Ų | 138 | 161.7 Ų | 161.7 | 84% | 0.836 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 122.3 | -178.5 | -178.7 | 0 | 0 | 0 | 0 | 109.9 | ||
| 26 | Q | 64 | Low | 54.4 | Low | 168 Ų | 168 | 159.7 Ų | 159.7 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 132.3 | 174.8 | -69 | -77.8 | -14.8 | 0 | 0 | 110.2 | P24 | P24-Q26 PolarHBondContact O-N 3.31Š|
| 27 | N | 56.8 | Low | 54 | Low | 156 Ų | 156 | 161 Ų | 161 | 83% | 0.834 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 125.1 | 177.4 | -78 | -20.7 | 0 | 0 | 0 | 110.7 | ||
| 28 | R | 55.6 | Low | 53.7 | Low | 243 Ų | 243 | 163.7 Ų | 163.7 | 92% | 0.917 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -80 | 135.3 | 172.5 | -86.1 | 177.9 | 138.7 | 171 | -4.7 | 111.1 | ||
| 29 | T | 62.2 | Low | 53.2 | Low | 132 Ų | 132 | 162.8 Ų | 162.8 | 81% | 0.81 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 150.3 | 168.3 | 49.4 | 0 | 0 | 0 | 0 | 111.1 | ||
| 30 | K | 53.7 | Low | 52.5 | Low | 203 Ų | 203 | 165.7 Ų | 165.7 | 88% | 0.883 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -93.3 | 5.5 | -167.8 | -89.8 | -176.7 | 177.7 | -179.8 | 0 | 116.4 | ||
| 31 | Y | 48.2 | Very low | 51.7 | Low | 224 Ų | 224 | 164.7 Ų | 164.7 | 88% | 0.878 | 84% | 0.843 | S | S | * | * | trans | -136.4 | 144.7 | 178.7 | -88.3 | -90.7 | 0 | 0 | 0 | 112.2 | ||||
| 32 | R | 44.7 | Very low | 51.2 | Low | 249 Ų | 249 | 162.4 Ų | 162.4 | 94% | 0.94 | 84% | 0.843 | S | S | * | * | trans | -104.2 | 106.7 | -172 | -174.9 | 170.1 | -172.4 | 169.7 | 0.4 | 110.7 | ||||
| 33 | E | 43.5 | Very low | 50.7 | Low | 179 Ų | 179 | 160.1 Ų | 160.1 | 84% | 0.836 | 83% | 0.83 | S | S | * | * | trans | -97.1 | 154.3 | 159.2 | -75.8 | -169.6 | 170.4 | 0 | 0 | 110.4 | ||||
| 34 | P | 49.9 | Very low | 50.3 | Low | 134 Ų | 134 | 156.4 Ų | 156.4 | 87% | 0.87 | 83% | 0.827 | S | S | * | * | trans | -88.6 | 108.8 | -179.3 | 33.9 | -27.2 | 0 | 0 | 0 | 110.2 | ||||
| 35 | A | 38.7 | Very low | 50 | Low | 89 Ų | 89 | 160.7 Ų | 160.7 | 74% | 0.736 | 83% | 0.83 | S | S | * | * | trans | -112.9 | 124.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 36 | A | 39.7 | Very low | 50.4 | Low | 94 Ų | 94 | 157.1 Ų | 157.1 | 78% | 0.777 | 82% | 0.821 | S | S | * | * | 59.3 | 119.3 | 71.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q38 | A36-Q38 PolarHBondContact O-N 2.86Š| |||
| 37 | E | 49 | Very low | 50.6 | Low | 198 Ų | 198 | 154.4 Ų | 154.4 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | trans | -56.9 | 113 | -169.8 | -61.8 | 172.4 | 155.2 | 0 | 0 | 112.6 | ||||
| 38 | Q | 42.5 | Very low | 51.2 | Low | 187 Ų | 187 | 152.2 Ų | 152.2 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -135.9 | 105.6 | 157.3 | -71.1 | -175 | 6.1 | 0 | 0 | 108.8 | A36 D40 | A36-Q38 PolarHBondContact O-N 2.86Å; Q38-D40 VanDerWaalsContact C-N 3.35Å; Q38-D40 PolarHBondContact O-N 3.36Å; Q38-D40 VanDerWaalsContact O-N 3.11Å | ||
| 39 | S | 47.2 | Very low | 51.5 | Low | 128 Ų | 128 | 146.1 Ų | 146.1 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | trans | -71.6 | 86.8 | 167.2 | 161.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 40 | D | 42.1 | Very low | 51.6 | Low | 159 Ų | 159 | 149 Ų | 149 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -154.6 | 121.9 | 150.7 | -142 | -3.1 | 0 | 0 | 0 | 111.4 | Q38 | Q38-D40 VanDerWaalsContact C-N 3.35Å; Q38-D40 PolarHBondContact O-N 3.36Å; Q38-D40 VanDerWaalsContact O-N 3.11Å |
| 41 | G | 49.8 | Very low | 52.3 | Low | 70 Ų | 70 | 142.7 Ų | 142.7 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | trans | 82.9 | 21.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | S43 | G41-S43 PolarHBondContact O-N 3.16Š| ||
| 42 | Q | 42.3 | Very low | 53.2 | Low | 182 Ų | 182 | 143.7 Ų | 143.7 | 85% | 0.85 | 76% | 0.758 | S | S | * | * | trans | -74.4 | 110.8 | 162.2 | -99.1 | -179.6 | -2.7 | 0 | 0 | 109.7 | N44 | Q42-N44 VanDerWaalsContact C-N 3.34Å; Q42-N44 PolarHBondContact O-N 3.31Å | ||
| 43 | S | 50.8 | Low | 54.4 | Low | 84 Ų | 84 | 141.1 Ų | 141.1 | 59% | 0.587 | 75% | 0.748 | S | S | * | * | trans | -54.1 | 96.2 | 167.3 | -46.9 | 0 | 0 | 0 | 0 | 109.1 | G41 Y45 | G41-S43 PolarHBondContact O-N 3.16Å; S43-Y45 VanDerWaalsContact O-CD2 3.31Å; S43-Y45 WeakPolarHBondContact O-CD2 3.37Å; S43-Y45 PolarHBondContact O-N 3.35Å | ||
| 44 | N | 53.8 | Low | 55.6 | Low | 152 Ų | 152 | 135.4 Ų | 135.4 | 81% | 0.813 | 73% | 0.725 | S | S | * | * | trans | -66.9 | 88.5 | 165.3 | -88.2 | -1.8 | 0 | 0 | 0 | 106.9 | Q42 G46 | Q42-N44 VanDerWaalsContact C-N 3.34Å; Q42-N44 PolarHBondContact O-N 3.31Å; N44-G46 VanDerWaalsContact C-N 3.3Å; N44-G46 PolarHBondContact O-N 2.98Å | ||
| 45 | Y | 57.6 | Low | 56.2 | Low | 205 Ų | 205 | 132.8 Ų | 132.8 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | trans | -61.2 | 101.8 | 163.1 | -68 | -81.6 | 0 | 0 | 0 | 106 | S43 N47 | S43-Y45 VanDerWaalsContact O-CD2 3.31Å; S43-Y45 WeakPolarHBondContact O-CD2 3.37Å; S43-Y45 PolarHBondContact O-N 3.35Å; Y45-N47 PolarHBondContact O-N 3.47Å | ||
| 46 | G | 66.9 | Low | 57.6 | Low | 64 Ų | 64 | 134.9 Ų | 134.9 | 66% | 0.66 | 70% | 0.696 | S | S | * | * | trans | -54.3 | 117.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | N44 I48 | N44-G46 VanDerWaalsContact C-N 3.3Å; N44-G46 PolarHBondContact O-N 2.98Å; G46-I48 PolarHBondContact O-N 3.34Å | ||
| 47 | N | 67.4 | Low | 59.1 | Low | 111 Ų | 111 | 133.4 Ų | 133.4 | 59% | 0.594 | 69% | 0.69 | S | S | * | * | trans | -65.8 | 109.8 | -175.2 | -152.5 | -7.4 | 0 | 0 | 0 | 107.7 | Y45 M49 Y50 | Y45-N47 PolarHBondContact O-N 3.47Å; N47-M49 PolarHBondContact O-N 3.07Å; N47-Y50 HydrophobicContact CB-CD2 4.26Å; N47-Y50 PolarHBondContact O-N 3.13Å | ||
| 48 | I | 69.8 | Low | 59.8 | Low | 110 Ų | 110 | 130.1 Ų | 130.1 | 56% | 0.564 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -56.7 | -21.3 | -172.3 | -69.5 | 170.9 | 0 | 0 | 0 | 111.6 | G46 Y50 D51 V54 R56 | G46-I48 PolarHBondContact O-N 3.34Å; I48-Y50 PolarHBondContact O-N 3.3Å; I48-D51 PolarHBondContact O-N 2.93Å; I48-V54 HydrophobicContact CG2-CB 4.3Å; I48-V54 HydrophobicContact CG2-CG1 3.91Å; I48-V54 HydrophobicContact CG2-CG2 4.06Å; I48-R56 PolarHBondContact O-NH2 3.22Å |
| 49 | M | 62.3 | Low | 60.5 | Low | 115 Ų | 115 | 125.8 Ų | 125.8 | 57% | 0.567 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -67.3 | -11.1 | 175.1 | -63.8 | -63 | -85 | 0 | 0 | 115 | N47 R56 | N47-M49 PolarHBondContact O-N 3.07Å; M49-R56 PolarHBondContact O-NH1 3Å; M49-R56 PolarHBondContact O-NH2 3.05Å |
| 50 | Y | 63.2 | Low | 60.8 | Low | 192 Ų | 192 | 129.9 Ų | 129.9 | 75% | 0.753 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -124.5 | 4.2 | 174.8 | -57.6 | -73.4 | 0 | 0 | 0 | 113.2 | N47 I48 R52 | N47-Y50 HydrophobicContact CB-CD2 4.26Å; N47-Y50 PolarHBondContact O-N 3.13Å; I48-Y50 PolarHBondContact O-N 3.3Å; Y50-R52 PolarHBondContact O-N 2.9Å |
| 51 | D | 69.9 | Low | 61.3 | Low | 70 Ų | 70 | 126.6 Ų | 126.6 | 37% | 0.374 | 66% | 0.658 | S | S | . | * | trans | -73.4 | 119.3 | 176.7 | -167.4 | -17.1 | 0 | 0 | 0 | 110.5 | I48 R53 V54 | I48-D51 PolarHBondContact O-N 2.93Å; D51-R53 PolarHBondContact O-N 2.77Å; D51-R53 WeakPolarHBondContact OD1-CB 3.48Å; D51-R53 PolarHBondContact OD1-N 3.25Å; D51-V54 HydrophobicContact CB-CB 4.41Å; D51-V54 HydrophobicContact CB-CG2 3.99Å; D51-V54 PolarHBondContact O-N 3.15Å; D51-V54 VanDerWaalsContact O-N 3.13Å | ||
| 52 | R | 65.3 | Low | 61.3 | Low | 246 Ų | 246 | 128.7 Ų | 128.7 | 93% | 0.928 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -17.2 | -179.9 | -61.6 | 179.5 | 82 | 174.4 | 3.2 | 112.6 | Y50 V54 | Y50-R52 PolarHBondContact O-N 2.9Å; R52-V54 VanDerWaalsContact C-N 3.34Å |
| 53 | R | 70.4 | Confident | 61.7 | Low | 195 Ų | 195 | 128.2 Ų | 128.2 | 74% | 0.736 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -20.5 | 175.7 | -61.1 | 176.9 | -178.2 | -122.8 | -0.8 | 112.6 | D51 V55 | D51-R53 PolarHBondContact O-N 2.77Å; D51-R53 WeakPolarHBondContact OD1-CB 3.48Å; D51-R53 PolarHBondContact OD1-N 3.25Å; R53-V55 PolarHBondContact O-N 3.39Å |
| 54 | V | 68.8 | Low | 61.6 | Low | 58 Ų | 58 | 131.3 Ų | 131.3 | 35% | 0.352 | 65% | 0.654 | S | S | . | * | S | Bend | trans | -94.7 | 96.6 | -175 | -178.7 | 0 | 0 | 0 | 0 | 108.7 | I48 D51 R52 R56 | I48-V54 HydrophobicContact CG2-CB 4.3Å; I48-V54 HydrophobicContact CG2-CG1 3.91Å; I48-V54 HydrophobicContact CG2-CG2 4.06Å; D51-V54 HydrophobicContact CB-CB 4.41Å; D51-V54 HydrophobicContact CB-CG2 3.99Å; D51-V54 PolarHBondContact O-N 3.15Å; D51-V54 VanDerWaalsContact O-N 3.13Å; R52-V54 VanDerWaalsContact C-N 3.34Å; V54-R56 HydrophobicContact CG1-CG 4.48Å; V54-R56 PolarHBondContact O-N 3.32Å |
| 55 | V | 62.1 | Low | 61.6 | Low | 80 Ų | 80 | 129.9 Ų | 129.9 | 49% | 0.485 | 65% | 0.646 | S | S | . | * | trans | -71.4 | 118.3 | 177.3 | -178.5 | 0 | 0 | 0 | 0 | 108.7 | R53 | R53-V55 PolarHBondContact O-N 3.39Š| ||
| 56 | R | 69.4 | Low | 61 | Low | 132 Ų | 132 | 124.5 Ų | 124.5 | 50% | 0.498 | 64% | 0.636 | S | S | . | * | trans | -105.8 | 116.6 | 176.3 | -55.5 | -171.3 | -157.4 | 95.8 | 30.2 | 108.8 | I48 M49 V54 | I48-R56 PolarHBondContact O-NH2 3.22Å; M49-R56 PolarHBondContact O-NH1 3Å; M49-R56 PolarHBondContact O-NH2 3.05Å; V54-R56 HydrophobicContact CG1-CG 4.48Å; V54-R56 PolarHBondContact O-N 3.32Å | ||
| 57 | G | 70.3 | Confident | 60.4 | Low | 63 Ų | 63 | 129.1 Ų | 129.1 | 65% | 0.649 | 65% | 0.651 | S | S | * | * | S | Bend | trans | 133.2 | 179.3 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 58 | N | 64.8 | Low | 59.7 | Low | 129 Ų | 129 | 128.3 Ų | 128.3 | 69% | 0.69 | 66% | 0.66 | S | S | * | * | trans | -72.8 | 125.2 | -180 | -166.4 | 6 | 0 | 0 | 0 | 110.6 | Y60 | N58-Y60 VanDerWaalsContact C-N 3.27Å; N58-Y60 PolarHBondContact O-N 3.28Å | ||
| 59 | T | 56.7 | Low | 58.9 | Low | 97 Ų | 97 | 125.9 Ų | 125.9 | 60% | 0.595 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -76.5 | -8.5 | -172.6 | 45 | 0 | 0 | 0 | 0 | 114.3 | A61 | T59-A61 VanDerWaalsContact C-N 3.32Å; T59-A61 PolarHBondContact O-N 3.29Å |
| 60 | Y | 52.8 | Low | 58.5 | Low | 213 Ų | 213 | 128.5 Ų | 128.5 | 84% | 0.835 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -71.6 | -17.9 | -178.5 | -91.6 | -86.5 | 0 | 0 | 0 | 115.2 | N58 | N58-Y60 VanDerWaalsContact C-N 3.27Å; N58-Y60 PolarHBondContact O-N 3.28Å |
| 61 | A | 53.4 | Low | 58.2 | Low | 91 Ų | 91 | 123.1 Ų | 123.1 | 75% | 0.752 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -99.7 | 7.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | T59 H63 | T59-A61 VanDerWaalsContact C-N 3.32Å; T59-A61 PolarHBondContact O-N 3.29Å; A61-H63 PolarHBondContact O-N 3.11Å |
| 62 | Q | 50.3 | Low | 57.6 | Low | 113 Ų | 113 | 125.1 Ų | 125.1 | 53% | 0.528 | 67% | 0.666 | S | S | . | * | trans | -76.6 | 107.6 | 173.4 | -74 | -150.7 | -21.8 | 0 | 0 | 110 | I64 | Q62-I64 VanDerWaalsContact C-N 3.28Å; Q62-I64 PolarHBondContact O-N 3.27Å | ||
| 63 | H | 49.9 | Very low | 57.6 | Low | 172 Ų | 172 | 118 Ų | 118 | 80% | 0.796 | 65% | 0.652 | S | S | * | * | trans | -60.6 | 94 | 158.7 | -110.4 | -87.1 | 0 | 0 | 0 | 108.1 | A61 L65 | A61-H63 PolarHBondContact O-N 3.11Å; H63-L65 VanDerWaalsContact C-N 3.25Å; H63-L65 PolarHBondContact O-N 3.33Å | ||
| 64 | I | 48.8 | Very low | 57.5 | Low | 149 Ų | 149 | 114.3 Ų | 114.3 | 76% | 0.764 | 65% | 0.646 | S | S | * | * | trans | -72.9 | 90.4 | 166.6 | -57.7 | 170.7 | 0 | 0 | 0 | 105.5 | Q62 | Q62-I64 VanDerWaalsContact C-N 3.28Å; Q62-I64 PolarHBondContact O-N 3.27Å | ||
| 65 | L | 53.7 | Low | 57.5 | Low | 123 Ų | 123 | 117.7 Ų | 117.7 | 64% | 0.644 | 66% | 0.658 | S | S | * | * | trans | -65.9 | 133 | 167.4 | -69.4 | 172.4 | 0 | 0 | 0 | 107.9 | H63 V67 | H63-L65 VanDerWaalsContact C-N 3.25Å; H63-L65 PolarHBondContact O-N 3.33Å; L65-V67 PolarHBondContact O-N 3.02Å | ||
| 66 | P | 45.5 | Very low | 57.8 | Low | 91 Ų | 91 | 116.5 Ų | 116.5 | 59% | 0.591 | 65% | 0.65 | S | S | * | * | trans | -56 | 138.1 | 174.8 | -20 | 30.1 | 0 | 0 | 0 | 109.7 | A68 A69 | P66-A68 PolarHBondContact O-N 3.48Å; P66-A69 PolarHBondContact O-N 2.92Å | ||
| 67 | V | 53.5 | Low | 58.1 | Low | 161 Ų | 161 | 116.7 Ų | 116.7 | 98% | 0.976 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -8.3 | 177.9 | 173 | 0 | 0 | 0 | 0 | 113.3 | L65 | L65-V67 PolarHBondContact O-N 3.02Š|
| 68 | A | 52.2 | Low | 58.4 | Low | 94 Ų | 94 | 122 Ų | 122 | 78% | 0.777 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | -4.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | P66 Q70 | P66-A68 PolarHBondContact O-N 3.48Å; A68-Q70 PolarHBondContact O-N 2.73Å |
| 69 | A | 52.7 | Low | 59 | Low | 59 Ų | 59 | 123 Ų | 123 | 49% | 0.488 | 66% | 0.658 | S | S | . | * | trans | -81.8 | 97.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | P66 | P66-A69 PolarHBondContact O-N 2.92Š| ||
| 70 | Q | 55 | Low | 60.1 | Low | 171 Ų | 171 | 124.2 Ų | 124.2 | 80% | 0.799 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 123.3 | 162.9 | -69.4 | -73.3 | -8 | 0 | 0 | 107.3 | A68 D72 | A68-Q70 PolarHBondContact O-N 2.73Å; Q70-D72 PolarHBondContact O-N 3Å |
| 71 | P | 57.5 | Low | 61.5 | Low | 79 Ų | 79 | 120.3 Ų | 120.3 | 51% | 0.513 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 130.3 | 175.3 | 26 | -32.1 | 0 | 0 | 0 | 108.3 | V76 | P71-V76 HydrophobicContact CB-CG2 3.85Å; P71-V76 HydrophobicContact CG-CG2 3.81Å |
| 72 | D | 57.4 | Low | 62.7 | Low | 111 Ų | 111 | 119.8 Ų | 119.8 | 59% | 0.594 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 131.6 | 179.6 | -85.5 | -32.1 | 0 | 0 | 0 | 109.3 | Q70 I74 E75 V76 | Q70-D72 PolarHBondContact O-N 3Å; D72-I74 PolarHBondContact O-N 3.28Å; D72-E75 PolarHBondContact O-N 2.98Å; D72-V76 PolarHBondContact O-N 2.98Å |
| 73 | P | 64.5 | Low | 64.1 | Low | 98 Ų | 98 | 123.7 Ų | 123.7 | 64% | 0.636 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -56.3 | -23.7 | -174.1 | 20.1 | -31.7 | 0 | 0 | 0 | 112.7 | Q77 | P73-Q77 WeakPolarHBondContact O-CB 3.37Å; P73-Q77 PolarHBondContact O-N 2.82Å; P73-Q77 VanDerWaalsContact O-N 3.1Å |
| 74 | I | 67.8 | Low | 65.6 | Low | 117 Ų | 117 | 125.2 Ų | 125.2 | 60% | 0.6 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70.4 | -40.1 | 177.7 | -58.7 | 171.7 | 0 | 0 | 0 | 112 | D72 Q77 R78 | D72-I74 PolarHBondContact O-N 3.28Å; I74-Q77 PolarHBondContact O-N 3.45Å; I74-R78 WeakPolarHBondContact O-CB 3.32Å; I74-R78 PolarHBondContact O-N 2.99Å |
| 75 | E | 69.6 | Low | 67.4 | Low | 129 Ų | 129 | 128 Ų | 128 | 60% | 0.603 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -72.1 | -37.7 | 178.4 | -81.2 | -167.6 | 149.5 | 0 | 0 | 111.8 | D72 Q77 R78 Q79 | D72-E75 PolarHBondContact O-N 2.98Å; E75-Q77 VanDerWaalsContact C-N 3.34Å; E75-R78 PolarHBondContact O-N 2.91Å; E75-Q79 WeakPolarHBondContact O-CB 3.48Å; E75-Q79 PolarHBondContact O-N 3.44Å |
| 76 | V | 68.7 | Low | 68.7 | Low | 54 Ų | 54 | 125.2 Ų | 125.2 | 33% | 0.327 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -63.4 | -42.3 | 174.9 | -179.7 | 0 | 0 | 0 | 0 | 110.6 | P71 D72 Q79 Q80 | P71-V76 HydrophobicContact CB-CG2 3.85Å; P71-V76 HydrophobicContact CG-CG2 3.81Å; D72-V76 PolarHBondContact O-N 2.98Å; V76-Q79 PolarHBondContact O-N 2.91Å; V76-Q80 WeakPolarHBondContact O-CG 3.38Å; V76-Q80 PolarHBondContact O-N 3.38Å |
| 77 | Q | 74.3 | Confident | 70.6 | Confident | 136 Ų | 136 | 124.1 Ų | 124.1 | 64% | 0.636 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.1 | -44.4 | 176.6 | -167.2 | 170 | 8.7 | 0 | 0 | 111.6 | P73 I74 E75 Q79 Q80 E81 | P73-Q77 WeakPolarHBondContact O-CB 3.37Å; P73-Q77 PolarHBondContact O-N 2.82Å; P73-Q77 VanDerWaalsContact O-N 3.1Å; I74-Q77 PolarHBondContact O-N 3.45Å; E75-Q77 VanDerWaalsContact C-N 3.34Å; Q77-Q79 VanDerWaalsContact C-N 3.32Å; Q77-Q79 PolarHBondContact O-N 3.37Å; Q77-Q80 PolarHBondContact O-N 3.1Å; Q77-E81 WeakPolarHBondContact O-CB 3.34Å; Q77-E81 PolarHBondContact O-N 2.81Å |
| 78 | R | 77.9 | Confident | 72 | Confident | 176 Ų | 176 | 119.2 Ų | 119.2 | 66% | 0.664 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62.8 | -36.5 | 177.4 | -166.1 | -177.1 | -81.6 | 176.4 | -5.7 | 112.3 | I74 E75 S82 | I74-R78 WeakPolarHBondContact O-CB 3.32Å; I74-R78 PolarHBondContact O-N 2.99Å; E75-R78 PolarHBondContact O-N 2.91Å; R78-S82 WeakPolarHBondContact O-CB 3.45Å; R78-S82 PolarHBondContact O-N 2.92Å |
| 79 | Q | 77.8 | Confident | 73.5 | Confident | 148 Ų | 148 | 124.5 Ų | 124.5 | 69% | 0.692 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -73.7 | -36.5 | 178.1 | -150.2 | 174.9 | 55.5 | 0 | 0 | 112.3 | E75 V76 Q77 R83 | E75-Q79 WeakPolarHBondContact O-CB 3.48Å; E75-Q79 PolarHBondContact O-N 3.44Å; V76-Q79 PolarHBondContact O-N 2.91Å; Q77-Q79 VanDerWaalsContact C-N 3.32Å; Q77-Q79 PolarHBondContact O-N 3.37Å; Q79-R83 PolarHBondContact O-N 3.09Å; Q79-R83 VanDerWaalsContact O-N 3.1Å |
| 80 | Q | 78.9 | Confident | 74.7 | Confident | 123 Ų | 123 | 129 Ų | 129 | 58% | 0.575 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67 | -39.3 | 172.2 | -72.6 | -176 | 18.8 | 0 | 0 | 112.1 | V76 Q77 R83 R84 | V76-Q80 WeakPolarHBondContact O-CG 3.38Å; V76-Q80 PolarHBondContact O-N 3.38Å; Q77-Q80 PolarHBondContact O-N 3.1Å; Q80-R83 PolarHBondContact O-N 2.93Å; Q80-R84 PolarHBondContact O-N 3.18Å |
| 81 | E | 81.4 | Confident | 75.9 | Confident | 132 Ų | 132 | 128.8 Ų | 128.8 | 62% | 0.617 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.2 | -44.8 | 176.8 | -167.5 | -178.6 | 175.9 | 0 | 0 | 111.9 | Q77 R83 R84 R85 | Q77-E81 WeakPolarHBondContact O-CB 3.34Å; Q77-E81 PolarHBondContact O-N 2.81Å; E81-R83 VanDerWaalsContact C-N 3.34Å; E81-R83 PolarHBondContact O-N 3.49Å; E81-R84 WeakPolarHBondContact O-CB 3.35Å; E81-R84 PolarHBondContact O-N 3.44Å; E81-R85 WeakPolarHBondContact O-CB 3.18Å; E81-R85 PolarHBondContact O-N 2.89Å |
| 82 | S | 78.8 | Confident | 76.9 | Confident | 79 Ų | 79 | 126.8 Ų | 126.8 | 55% | 0.552 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -58.5 | -43.8 | 173.5 | 176.5 | 0 | 0 | 0 | 0 | 112.1 | R78 R85 S86 | R78-S82 WeakPolarHBondContact O-CB 3.45Å; R78-S82 PolarHBondContact O-N 2.92Å; S82-R85 PolarHBondContact O-N 3.35Å; S82-S86 PolarHBondContact O-N 3.32Å |
| 83 | R | 80.9 | Confident | 77.7 | Confident | 196 Ų | 196 | 127.8 Ų | 127.8 | 74% | 0.74 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -59.6 | -48.7 | 172.8 | -98.2 | -176.4 | 170.5 | -175 | -1.8 | 111.7 | Q79 Q80 E81 R85 S86 V87 | Q79-R83 PolarHBondContact O-N 3.09Å; Q79-R83 VanDerWaalsContact O-N 3.1Å; Q80-R83 PolarHBondContact O-N 2.93Å; E81-R83 VanDerWaalsContact C-N 3.34Å; E81-R83 PolarHBondContact O-N 3.49Å; R83-R85 VanDerWaalsContact C-N 3.33Å; R83-R85 PolarHBondContact O-N 2.93Å; R83-S86 PolarHBondContact O-N 3.45Å; R83-S86 PolarHBondContact O-OG 3.44Å; R83-V87 WeakPolarHBondContact O-CG2 3.27Å; R83-V87 PolarHBondContact O-N 2.97Å; R83-V87 VanDerWaalsContact O-N 3.07Å |
| 84 | R | 81.7 | Confident | 78 | Confident | 204 Ų | 204 | 129.7 Ų | 129.7 | 77% | 0.77 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -57.3 | -44.6 | 176.6 | -83.2 | -174.6 | 168.5 | -168.5 | -1.9 | 112 | Q80 E81 S86 V87 A88 | Q80-R84 PolarHBondContact O-N 3.18Å; E81-R84 WeakPolarHBondContact O-CB 3.35Å; E81-R84 PolarHBondContact O-N 3.44Å; R84-S86 PolarHBondContact O-N 3.01Å; R84-V87 PolarHBondContact O-N 3.47Å; R84-A88 WeakPolarHBondContact O-CB 3.48Å; R84-A88 PolarHBondContact O-N 3.48Å |
| 85 | R | 85.3 | Confident | 78 | Confident | 207 Ų | 207 | 131.7 Ų | 131.7 | 78% | 0.781 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63.8 | -40.2 | 178.8 | -165.7 | 172.6 | -178 | 179.1 | 0.6 | 112.3 | E81 S82 R83 A88 R89 | E81-R85 WeakPolarHBondContact O-CB 3.18Å; E81-R85 PolarHBondContact O-N 2.89Å; S82-R85 PolarHBondContact O-N 3.35Å; R83-R85 VanDerWaalsContact C-N 3.33Å; R83-R85 PolarHBondContact O-N 2.93Å; R85-A88 PolarHBondContact O-N 3.25Å; R85-R89 WeakPolarHBondContact O-CB 3.45Å; R85-R89 PolarHBondContact O-N 3.11Å |
| 86 | S | 81.8 | Confident | 77.7 | Confident | 64 Ų | 64 | 133.9 Ų | 133.9 | 45% | 0.448 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -65.6 | -38.9 | 176.7 | 76.2 | 0 | 0 | 0 | 0 | 112.9 | S82 R83 R84 R89 K90 | S82-S86 PolarHBondContact O-N 3.32Å; R83-S86 PolarHBondContact O-N 3.45Å; R83-S86 PolarHBondContact O-OG 3.44Å; R84-S86 PolarHBondContact O-N 3.01Å; S86-R89 PolarHBondContact O-N 3.07Å; S86-K90 PolarHBondContact O-N 3.24Å; S86-K90 VanDerWaalsContact O-N 3.07Å |
| 87 | V | 84.4 | Confident | 77.4 | Confident | 69 Ų | 69 | 139.7 Ų | 139.7 | 42% | 0.418 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -70.5 | -41.5 | 177.4 | 174 | 0 | 0 | 0 | 0 | 110.5 | R83 R84 R89 K90 R91 | R83-V87 WeakPolarHBondContact O-CG2 3.27Å; R83-V87 PolarHBondContact O-N 2.97Å; R83-V87 VanDerWaalsContact O-N 3.07Å; R84-V87 PolarHBondContact O-N 3.47Å; V87-R89 VanDerWaalsContact C-N 3.35Å; V87-R89 PolarHBondContact O-N 2.9Å; V87-K90 PolarHBondContact O-N 3.44Å; V87-R91 PolarHBondContact O-N 2.82Å |
| 88 | A | 84 | Confident | 76.6 | Confident | 58 Ų | 58 | 139.5 Ų | 139.5 | 48% | 0.479 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -61.3 | -42.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R84 R85 K90 R91 A92 | R84-A88 WeakPolarHBondContact O-CB 3.48Å; R84-A88 PolarHBondContact O-N 3.48Å; R85-A88 PolarHBondContact O-N 3.25Å; A88-K90 PolarHBondContact O-N 3.34Å; A88-R91 PolarHBondContact O-N 3.19Å; A88-A92 WeakPolarHBondContact O-CB 3.19Å; A88-A92 PolarHBondContact O-N 3.28Å |
| 89 | R | 82.7 | Confident | 75.8 | Confident | 204 Ų | 204 | 141.8 Ų | 141.8 | 77% | 0.77 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -63.7 | -38.7 | 176.5 | -166 | 178.5 | -178.3 | -161.9 | 0.7 | 112.4 | R85 S86 V87 M93 | R85-R89 WeakPolarHBondContact O-CB 3.45Å; R85-R89 PolarHBondContact O-N 3.11Å; S86-R89 PolarHBondContact O-N 3.07Å; V87-R89 VanDerWaalsContact C-N 3.35Å; V87-R89 PolarHBondContact O-N 2.9Å; R89-M93 WeakPolarHBondContact O-CB 3.35Å; R89-M93 PolarHBondContact O-N 2.9Å |
| 90 | K | 78.4 | Confident | 75.1 | Confident | 154 Ų | 154 | 140.7 Ų | 140.7 | 67% | 0.67 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -64.3 | -44.4 | 173.5 | -80.7 | -172.6 | 175.4 | -173.6 | 0 | 112.2 | S86 V87 A88 M93 E94 | S86-K90 PolarHBondContact O-N 3.24Å; S86-K90 VanDerWaalsContact O-N 3.07Å; V87-K90 PolarHBondContact O-N 3.44Å; A88-K90 PolarHBondContact O-N 3.34Å; K90-M93 PolarHBondContact O-N 3.28Å; K90-E94 WeakPolarHBondContact O-CG 3.34Å; K90-E94 PolarHBondContact O-N 3.03Å |
| 91 | R | 80.1 | Confident | 74.8 | Confident | 167 Ų | 167 | 140 Ų | 140 | 63% | 0.63 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -62.6 | -42.1 | 176.3 | -73.3 | -178.4 | -178.4 | 173.3 | -0.7 | 112.5 | V87 A88 E94 Q95 | V87-R91 PolarHBondContact O-N 2.82Å; A88-R91 PolarHBondContact O-N 3.19Å; R91-E94 PolarHBondContact O-N 2.99Å; R91-Q95 WeakPolarHBondContact O-CG 3.44Å; R91-Q95 PolarHBondContact O-N 3.46Å; R91-Q95 VanDerWaalsContact O-N 3.07Å |
| 92 | A | 78.8 | Confident | 74.1 | Confident | 37 Ų | 37 | 142.1 Ų | 142.1 | 31% | 0.306 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -62.6 | -44.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | A88 E94 Q95 F96 | A88-A92 WeakPolarHBondContact O-CB 3.19Å; A88-A92 PolarHBondContact O-N 3.28Å; A92-E94 VanDerWaalsContact C-N 3.27Å; A92-E94 PolarHBondContact O-N 3.33Å; A92-Q95 PolarHBondContact O-N 3.27Å; A92-Q95 VanDerWaalsContact O-N 3.11Å; A92-F96 WeakPolarHBondContact O-CD2 3.37Å; A92-F96 PolarHBondContact O-N 3.13Å; A92-F96 VanDerWaalsContact O-N 3.13Å |
| 93 | M | 74.3 | Confident | 73.6 | Confident | 132 Ų | 132 | 140 Ų | 140 | 65% | 0.65 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -61.4 | -34.8 | 176.6 | -162.7 | 85.4 | 178.7 | 0 | 0 | 112.5 | R89 K90 | R89-M93 WeakPolarHBondContact O-CB 3.35Å; R89-M93 PolarHBondContact O-N 2.9Å; K90-M93 PolarHBondContact O-N 3.28Å |
| 94 | E | 70.6 | Confident | 73.2 | Confident | 137 Ų | 137 | 137 Ų | 137 | 64% | 0.64 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -70.6 | -32.6 | 174.8 | -75.4 | 172.3 | 179.2 | 0 | 0 | 112.6 | K90 R91 A92 | K90-E94 WeakPolarHBondContact O-CG 3.34Å; K90-E94 PolarHBondContact O-N 3.03Å; R91-E94 PolarHBondContact O-N 2.99Å; A92-E94 VanDerWaalsContact C-N 3.27Å; A92-E94 PolarHBondContact O-N 3.33Å |
| 95 | Q | 68 | Low | 72.6 | Confident | 160 Ų | 160 | 137.1 Ų | 137.1 | 75% | 0.748 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -71.7 | -31.3 | 176.2 | -74 | 175.7 | -19 | 0 | 0 | 113.3 | R91 A92 | R91-Q95 WeakPolarHBondContact O-CG 3.44Å; R91-Q95 PolarHBondContact O-N 3.46Å; R91-Q95 VanDerWaalsContact O-N 3.07Å; A92-Q95 PolarHBondContact O-N 3.27Å; A92-Q95 VanDerWaalsContact O-N 3.11Å |
| 96 | F | 62.4 | Low | 72.1 | Confident | 175 Ų | 175 | 131.3 Ų | 131.3 | 77% | 0.768 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | 3.1 | -179.9 | -74.2 | -71.2 | 0 | 0 | 0 | 114.6 | A92 P98 | A92-F96 WeakPolarHBondContact O-CD2 3.37Å; A92-F96 PolarHBondContact O-N 3.13Å; A92-F96 VanDerWaalsContact O-N 3.13Å; F96-P98 WeakPolarHBondContact O-CD 3.29Å |
| 97 | R | 63.3 | Low | 71.6 | Confident | 176 Ų | 176 | 137.6 Ų | 137.6 | 66% | 0.664 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -74.2 | 121.5 | 170.2 | -79.5 | -178.1 | 177.8 | -168 | -2 | 108.7 | R99 | R97-R99 PolarHBondContact O-N 3.46Š|
| 98 | P | 56.1 | Low | 71 | Confident | 131 Ų | 131 | 143.4 Ų | 143.4 | 85% | 0.851 | 70% | 0.7 | S | S | * | * | trans | -61 | 108 | 171.3 | 25.2 | -31.3 | 0 | 0 | 0 | 107.6 | F96 | F96-P98 WeakPolarHBondContact O-CD 3.29Š| ||
| 99 | R | 62.8 | Low | 70.5 | Confident | 224 Ų | 224 | 146.7 Ų | 146.7 | 85% | 0.845 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 125.2 | 179.7 | -129.4 | 177.3 | 179.7 | -165.5 | -3.5 | 107.1 | R97 | R97-R99 PolarHBondContact O-N 3.46Š|
| 100 | T | 62.2 | Low | 70 | Confident | 125 Ų | 125 | 143.8 Ų | 143.8 | 77% | 0.767 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 134.1 | 159.9 | 32.4 | 0 | 0 | 0 | 0 | 107.6 | ||
| 101 | P | 72.9 | Confident | 69.5 | Low | 108 Ų | 108 | 144.3 Ų | 144.3 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 146.1 | -179.4 | 20.5 | -30.4 | 0 | 0 | 0 | 110.5 | H109 | P101-H109 PolarHBondContact O-CE1 2.92Å; P101-H109 VanDerWaalsContact O-CE1 3.28Å |
| 102 | E | 66.8 | Low | 69 | Low | 177 Ų | 177 | 141.8 Ų | 141.8 | 83% | 0.827 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -68 | 146.7 | -177.7 | -167.6 | 166.2 | -174.4 | 0 | 0 | 111 | L104 | E102-L104 PolarHBondContact O-N 3.49Š|
| 103 | A | 68 | Low | 68.5 | Low | 34 Ų | 34 | 147.7 Ų | 147.7 | 28% | 0.281 | 74% | 0.738 | S | S | . | * | P | Polyproline II helix | trans | -66.4 | 134.1 | -179 | 0 | 0 | 0 | 0 | 0 | 110.4 | R107 H109 | A103-R107 WeakPolarHBondContact CB-O 3.26Å; A103-H109 WeakPolarHBondContact CA-CE1 3.31Å; A103-H109 WeakPolarHBondContact CA-NE2 3.39Å; A103-H109 VanDerWaalsContact CB-CE1 3.48Å; A103-H109 WeakPolarHBondContact CB-CE1 3.41Å; A103-H109 PolarHBondContact N-CE1 3.3Å; A103-H109 VanDerWaalsContact N-CE1 3.34Å |
| 104 | L | 71.9 | Confident | 68.1 | Low | 135 Ų | 135 | 147.9 Ų | 147.9 | 71% | 0.707 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 143.6 | 174.3 | -71 | 166.9 | 0 | 0 | 0 | 110.8 | E102 G106 R107 | E102-L104 PolarHBondContact O-N 3.49Å; L104-G106 PolarHBondContact O-N 2.99Å; L104-R107 PolarHBondContact O-N 3Å |
| 105 | E | 68.8 | Low | 68.1 | Low | 206 Ų | 206 | 148 Ų | 148 | 96% | 0.963 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | 122.8 | -173.9 | -158.8 | 169.7 | -167 | 0 | 0 | 111.4 | ||
| 106 | G | 75.2 | Confident | 67.8 | Low | 85 Ų | 85 | 147.8 Ų | 147.8 | 88% | 0.876 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92.2 | 0 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | L104 | L104-G106 PolarHBondContact O-N 2.99Š|
| 107 | R | 71.9 | Confident | 67.8 | Low | 195 Ų | 195 | 149.3 Ų | 149.3 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | trans | -117.3 | 144.3 | 173.8 | -62.1 | -173 | 178.5 | -168.8 | -0.1 | 111.3 | A103 L104 | A103-R107 WeakPolarHBondContact CB-O 3.26Å; L104-R107 PolarHBondContact O-N 3Å | ||
| 108 | K | 72.6 | Confident | 68 | Low | 191 Ų | 191 | 147.5 Ų | 147.5 | 83% | 0.83 | 76% | 0.756 | S | S | * | * | trans | -107.6 | 133.3 | 171 | -68.9 | -177.3 | 179.5 | 179.8 | 0 | 108.6 | ||||
| 109 | H | 71.6 | Confident | 68.3 | Low | 128 Ų | 128 | 148.8 Ų | 148.8 | 59% | 0.593 | 75% | 0.75 | S | S | * | * | trans | -67.8 | 133.9 | 169.2 | -66.6 | 151.4 | 0 | 0 | 0 | 109.5 | P101 A103 | P101-H109 PolarHBondContact O-CE1 2.92Å; P101-H109 VanDerWaalsContact O-CE1 3.28Å; A103-H109 WeakPolarHBondContact CA-CE1 3.31Å; A103-H109 WeakPolarHBondContact CA-NE2 3.39Å; A103-H109 VanDerWaalsContact CB-CE1 3.48Å; A103-H109 WeakPolarHBondContact CB-CE1 3.41Å; A103-H109 PolarHBondContact N-CE1 3.3Å; A103-H109 VanDerWaalsContact N-CE1 3.34Å | ||
| 110 | I | 73.6 | Confident | 68.5 | Low | 143 Ų | 143 | 146.1 Ų | 146.1 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | trans | -117 | 131.9 | 173.4 | -71.4 | 171 | 0 | 0 | 0 | 105.8 | V112 | I110-V112 PolarHBondContact O-N 2.9Š| ||
| 111 | D | 66.6 | Low | 68.6 | Low | 165 Ų | 165 | 148.1 Ų | 148.1 | 88% | 0.882 | 75% | 0.753 | S | S | * | * | trans | -71 | 117.1 | 174.8 | -63.2 | -32.4 | 0 | 0 | 0 | 108.6 | ||||
| 112 | V | 71 | Confident | 67.7 | Low | 113 Ų | 113 | 150 Ų | 150 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | trans | -95.8 | 137.4 | 175.5 | -178.4 | 0 | 0 | 0 | 0 | 107.6 | I110 T114 | I110-V112 PolarHBondContact O-N 2.9Å; V112-T114 PolarHBondContact O-N 2.83Å | ||
| 113 | Q | 67.8 | Low | 67.4 | Low | 161 Ų | 161 | 148.7 Ų | 148.7 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | trans | -61.6 | 103 | 171.9 | -86.4 | -177.4 | -55 | 0 | 0 | 109.5 | E115 | Q113-E115 HydrophobicContact CB-CG 4.28Å; Q113-E115 HydrophobicContact CG-CG 4.35Å; Q113-E115 PolarHBondContact NE2-OE1 3.25Å | ||
| 114 | T | 65.1 | Low | 67.1 | Low | 137 Ų | 137 | 158.3 Ų | 158.3 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | trans | -97.7 | 10.6 | 174.1 | 54.8 | 0 | 0 | 0 | 0 | 112.5 | V112 | V112-T114 PolarHBondContact O-N 2.83Š| ||
| 115 | E | 70.8 | Confident | 66.7 | Low | 138 Ų | 138 | 158 Ų | 158 | 65% | 0.645 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -75.8 | 139.9 | 171.2 | 44.9 | -169.4 | 167.8 | 0 | 0 | 110.1 | Q113 Y117 | Q113-E115 HydrophobicContact CB-CG 4.28Å; Q113-E115 HydrophobicContact CG-CG 4.35Å; Q113-E115 PolarHBondContact NE2-OE1 3.25Å; E115-Y117 PolarHBondContact O-N 2.81Å |
| 116 | L | 63.1 | Low | 66.5 | Low | 156 Ų | 156 | 156.8 Ų | 156.8 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | trans | -68 | 101.9 | -174.2 | -166.9 | 82.3 | 0 | 0 | 0 | 109.9 | L118 | L116-L118 HydrophobicContact CD2-CD1 3.79Å; L116-L118 HydrophobicContact CD2-CG 4.25Å; L116-L118 HydrophobicContact CG-CD1 4.27Å; L116-L118 HydrophobicContact CG-CG 4.18Å | ||
| 117 | Y | 62.1 | Low | 65.6 | Low | 207 Ų | 207 | 160.2 Ų | 160.2 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | trans | -100 | 105.1 | 172.2 | -164.1 | -98.1 | 0 | 0 | 0 | 109 | E115 E119 | E115-Y117 PolarHBondContact O-N 2.81Å; Y117-E119 HydrophobicContact CE1-CG 4.11Å | ||
| 118 | L | 67.8 | Low | 64.8 | Low | 138 Ų | 138 | 157.2 Ų | 157.2 | 72% | 0.723 | 78% | 0.784 | S | S | * | * | trans | -103.2 | 117.6 | 176.1 | -72.8 | 166.4 | 0 | 0 | 0 | 109.2 | L116 | L116-L118 HydrophobicContact CD2-CD1 3.79Å; L116-L118 HydrophobicContact CD2-CG 4.25Å; L116-L118 HydrophobicContact CG-CD1 4.27Å; L116-L118 HydrophobicContact CG-CG 4.18Å | ||
| 119 | E | 62.7 | Low | 63.8 | Low | 159 Ų | 159 | 153.4 Ų | 153.4 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | trans | -87.6 | 120.8 | 162.5 | -92.2 | -177.8 | 151.7 | 0 | 0 | 109 | Y117 L121 | Y117-E119 HydrophobicContact CE1-CG 4.11Å; E119-L121 PolarHBondContact O-N 3.47Å | ||
| 120 | E | 65.7 | Low | 63.6 | Low | 167 Ų | 167 | 153.2 Ų | 153.2 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | trans | -78.3 | 107.7 | 171.7 | -70.5 | -178.6 | 168.8 | 0 | 0 | 109.9 | N122 | E120-N122 PolarHBondContact O-N 3.47Š| ||
| 121 | L | 64.9 | Low | 62.7 | Low | 168 Ų | 168 | 155 Ų | 155 | 88% | 0.88 | 79% | 0.794 | S | S | * | * | trans | -75.9 | 97.8 | 169.7 | -78 | 151.4 | 0 | 0 | 0 | 109.4 | E119 D123 | E119-L121 PolarHBondContact O-N 3.47Å; L121-D123 PolarHBondContact O-N 2.89Å | ||
| 122 | N | 53.2 | Low | 62.2 | Low | 148 Ų | 148 | 152 Ų | 152 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | -86 | 78.7 | 172.6 | -75.1 | -46.7 | 0 | 0 | 0 | 110.5 | E120 | E120-N122 PolarHBondContact O-N 3.47Š| ||
| 123 | D | 61.5 | Low | 61.6 | Low | 148 Ų | 148 | 156.3 Ų | 156.3 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -119.7 | 112.9 | 164.8 | -151.7 | 4.9 | 0 | 0 | 0 | 109.4 | L121 | L121-D123 PolarHBondContact O-N 2.89Š| ||
| 124 | R | 62 | Low | 60.8 | Low | 236 Ų | 236 | 154.7 Ų | 154.7 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | trans | -88.5 | 114.5 | 179.3 | -78.8 | -174.8 | 174.4 | 172 | -1.3 | 108.2 | ||||
| 125 | V | 63.5 | Low | 60.5 | Low | 129 Ų | 129 | 155.9 Ų | 155.9 | 78% | 0.782 | 80% | 0.8 | S | S | * | * | trans | -70.2 | 129 | 172.5 | -173.6 | 0 | 0 | 0 | 0 | 109 | D127 | V125-D127 PolarHBondContact O-N 3.47Š| ||
| 126 | E | 63.2 | Low | 60 | Low | 181 Ų | 181 | 152.4 Ų | 152.4 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -78.4 | 115.3 | 176.5 | -71.8 | -175.7 | 159.7 | 0 | 0 | 110.8 | ||||
| 127 | D | 56.3 | Low | 59.7 | Low | 157 Ų | 157 | 153.8 Ų | 153.8 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | -82 | 122.9 | 172 | -70.7 | -27.2 | 0 | 0 | 0 | 110.2 | V125 | V125-D127 PolarHBondContact O-N 3.47Š| ||
| 128 | T | 55.1 | Low | 59.8 | Low | 131 Ų | 131 | 152.1 Ų | 152.1 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -97.9 | 115.8 | 173.9 | 32.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 129 | S | 52.9 | Low | 59.7 | Low | 111 Ų | 111 | 153.1 Ų | 153.1 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | -82.7 | 120.8 | 174.3 | 59.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 130 | V | 67.3 | Low | 60 | Low | 124 Ų | 124 | 153.2 Ų | 153.2 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | trans | -108.8 | 114.5 | 172 | -178.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 131 | E | 54.4 | Low | 60.3 | Low | 181 Ų | 181 | 150.6 Ų | 150.6 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | -96 | 117.1 | 176.1 | -65.6 | -179.2 | 178.1 | 0 | 0 | 109.5 | ||||
| 132 | C | 55.9 | Low | 60.8 | Low | 103 Ų | 103 | 147.3 Ų | 147.3 | 70% | 0.696 | 80% | 0.798 | S | S | * | * | trans | -104.9 | 111 | 172 | -67 | 0 | 0 | 0 | 0 | 109.8 | T134 | C132-T134 PolarHBondContact O-N 3.38Š| ||
| 133 | Q | 58.1 | Low | 61.6 | Low | 202 Ų | 202 | 144.8 Ų | 144.8 | 94% | 0.944 | 79% | 0.788 | S | S | * | * | trans | -64.4 | 110.2 | 169.7 | -177.6 | 178.5 | -1.7 | 0 | 0 | 109.2 | ||||
| 134 | T | 52 | Low | 62.4 | Low | 127 Ų | 127 | 143.4 Ų | 143.4 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | trans | -125.4 | 132.4 | 170.6 | 34.2 | 0 | 0 | 0 | 0 | 110 | C132 | C132-T134 PolarHBondContact O-N 3.38Š| ||
| 135 | D | 57.5 | Low | 62.9 | Low | 162 Ų | 162 | 139.9 Ų | 139.9 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | trans | -59.6 | 132.6 | -172 | -159.4 | 2.6 | 0 | 0 | 0 | 111.5 | ||||
| 136 | A | 61.8 | Low | 63.5 | Low | 66 Ų | 66 | 142.1 Ų | 142.1 | 55% | 0.545 | 78% | 0.784 | S | S | . | * | trans | -83.5 | 137.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 137 | F | 56.4 | Low | 64.2 | Low | 185 Ų | 185 | 140.4 Ų | 140.4 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | trans | 93.8 | 74.2 | 170.7 | -56.4 | -81.1 | 0 | 0 | 0 | 117.8 | ||||
| 138 | L | 63.3 | Low | 65.2 | Low | 171 Ų | 171 | 137 Ų | 137 | 90% | 0.895 | 77% | 0.766 | S | S | * | * | trans | -126.2 | 117.3 | 131.9 | -72.4 | 172.3 | 0 | 0 | 0 | 108 | K140 | L138-K140 PolarHBondContact O-N 2.94Š| ||
| 139 | D | 66.4 | Low | 66.1 | Low | 159 Ų | 159 | 135 Ų | 135 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | trans | -65.9 | 97.8 | 175.3 | -85.5 | -19.3 | 0 | 0 | 0 | 109.6 | ||||
| 140 | K | 67.7 | Low | 67.1 | Low | 162 Ų | 162 | 138.2 Ų | 138.2 | 70% | 0.704 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 130.5 | 170.1 | -171.2 | -179 | 179.4 | -172.4 | 0 | 107.9 | L138 A142 | L138-K140 PolarHBondContact O-N 2.94Å; K140-A142 PolarHBondContact O-N 2.92Å |
| 141 | P | 73.6 | Confident | 67.2 | Low | 111 Ų | 111 | 138.6 Ų | 138.6 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 144.1 | 173.1 | 25.2 | -33.7 | 0 | 0 | 0 | 109.5 | T143 | P141-T143 PolarHBondContact O-N 3.44Š|
| 142 | A | 75.6 | Confident | 68.4 | Low | 99 Ų | 99 | 132.9 Ų | 132.9 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 117.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | K140 | K140-A142 PolarHBondContact O-N 2.92Š|
| 143 | T | 70.1 | Confident | 69.5 | Low | 96 Ų | 96 | 137.3 Ų | 137.3 | 59% | 0.589 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 127.8 | 175.6 | 35.7 | 0 | 0 | 0 | 0 | 108.3 | P141 L145 | P141-T143 PolarHBondContact O-N 3.44Å; T143-L145 PolarHBondContact O-N 3.34Å |
| 144 | P | 76.5 | Confident | 70.5 | Confident | 118 Ų | 118 | 134.4 Ų | 134.4 | 77% | 0.766 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 134.5 | -179.6 | 23.1 | -32.7 | 0 | 0 | 0 | 109.6 | F146 | P144-F146 PolarHBondContact O-N 3.47Š|
| 145 | L | 73.8 | Confident | 72 | Confident | 162 Ų | 162 | 134 Ų | 134 | 85% | 0.848 | 76% | 0.756 | S | S | * | * | trans | -59.3 | 112.9 | 176.3 | -74.3 | 163 | 0 | 0 | 0 | 108.5 | T143 I147 | T143-L145 PolarHBondContact O-N 3.34Å; L145-I147 PolarHBondContact O-N 2.93Å; L145-I147 VanDerWaalsContact O-N 3.07Å | ||
| 146 | F | 75.6 | Confident | 73.1 | Confident | 177 Ų | 177 | 131.2 Ų | 131.2 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | trans | -70.5 | 103 | 171 | 178.9 | -105.5 | 0 | 0 | 0 | 108 | P144 P148 | P144-F146 PolarHBondContact O-N 3.47Å; F146-P148 HydrophobicContact CD1-CG 4.01Å; F146-P148 HydrophobicContact CE1-CB 3.98Å; F146-P148 HydrophobicContact CE1-CG 3.77Å; F146-P148 HydrophobicContact CZ-CB 4.5Å; F146-P148 WeakPolarHBondContact O-CD 3.44Å | ||
| 147 | I | 77.1 | Confident | 74.1 | Confident | 144 Ų | 144 | 134.4 Ų | 134.4 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | trans | -89.2 | 107.9 | 168 | -59.4 | 172.8 | 0 | 0 | 0 | 105.7 | L145 A149 | L145-I147 PolarHBondContact O-N 2.93Å; L145-I147 VanDerWaalsContact O-N 3.07Å; I147-A149 PolarHBondContact O-N 3.26Å | ||
| 148 | P | 79.1 | Confident | 75.6 | Confident | 85 Ų | 85 | 133 Ų | 133 | 55% | 0.552 | 76% | 0.764 | S | S | * | * | trans | -58.5 | 130.9 | 175.9 | -16.7 | 29.3 | 0 | 0 | 0 | 108.6 | F146 K150 | F146-P148 HydrophobicContact CD1-CG 4.01Å; F146-P148 HydrophobicContact CE1-CB 3.98Å; F146-P148 HydrophobicContact CE1-CG 3.77Å; F146-P148 HydrophobicContact CZ-CB 4.5Å; F146-P148 WeakPolarHBondContact O-CD 3.44Å; P148-K150 PolarHBondContact O-N 3.04Å | ||
| 149 | A | 73.9 | Confident | 76.8 | Confident | 89 Ų | 89 | 129.9 Ų | 129.9 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | trans | -56.9 | 130 | 168.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | I147 S151 | I147-A149 PolarHBondContact O-N 3.26Å; A149-S151 PolarHBondContact O-N 3.03Å | ||
| 150 | K | 72.9 | Confident | 77.8 | Confident | 180 Ų | 180 | 128.3 Ų | 128.3 | 78% | 0.783 | 73% | 0.734 | S | S | * | * | trans | -53.9 | 108.8 | 173.6 | -85.1 | -164.6 | 172.1 | -167.7 | 0 | 108 | P148 D154 | P148-K150 PolarHBondContact O-N 3.04Å; K150-D154 IonicContact NZ-OD2 3.15Å | ||
| 151 | S | 69.2 | Low | 78.7 | Confident | 132 Ų | 132 | 130.2 Ų | 130.2 | 92% | 0.923 | 75% | 0.746 | S | S | * | * | trans | -99.9 | 100.5 | 175.4 | -171.9 | 0 | 0 | 0 | 0 | 107.7 | A149 | A149-S151 PolarHBondContact O-N 3.03Š| ||
| 152 | G | 79.4 | Confident | 79.3 | Confident | 60 Ų | 60 | 127.7 Ų | 127.7 | 62% | 0.619 | 74% | 0.74 | S | S | * | * | S | Bend | trans | 161.8 | 148.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 153 | K | 78.5 | Confident | 79.8 | Confident | 197 Ų | 197 | 129.3 Ų | 129.3 | 86% | 0.857 | 73% | 0.731 | S | S | * | * | trans | -94.5 | 118.2 | 170.3 | -70 | -178.3 | 179.9 | 179.1 | 0 | 107.6 | V155 | K153-V155 PolarHBondContact O-N 2.92Š| ||
| 154 | D | 80.1 | Confident | 80.6 | Confident | 140 Ų | 140 | 131.3 Ų | 131.3 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | trans | -69 | 118.3 | 172 | -67.5 | -23.6 | 0 | 0 | 0 | 108 | K150 | K150-D154 IonicContact NZ-OD2 3.15Š| ||
| 155 | V | 82.9 | Confident | 81.3 | Confident | 120 Ų | 120 | 131.9 Ų | 131.9 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | trans | -121.8 | 120.8 | 176.6 | 178.5 | 0 | 0 | 0 | 0 | 107.5 | K153 T157 | K153-V155 PolarHBondContact O-N 2.92Å; V155-T157 HydrophobicContact CG1-CG2 4.39Å | ||
| 156 | A | 81.9 | Confident | 82.2 | Confident | 102 Ų | 102 | 127.6 Ų | 127.6 | 84% | 0.843 | 71% | 0.706 | S | S | * | * | trans | -97.4 | 129.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 157 | T | 81.8 | Confident | 83 | Confident | 134 Ų | 134 | 125.2 Ų | 125.2 | 82% | 0.822 | 70% | 0.695 | S | S | * | * | trans | -109.9 | 119.6 | 169.3 | 50.5 | 0 | 0 | 0 | 0 | 107.7 | V155 | V155-T157 HydrophobicContact CG1-CG2 4.39Š| ||
| 158 | Q | 87.8 | Confident | 83.9 | Confident | 154 Ų | 154 | 123.5 Ų | 123.5 | 72% | 0.72 | 69% | 0.688 | S | S | * | * | trans | -120.9 | 138.5 | 174.9 | -179.6 | 164.1 | -13.5 | 0 | 0 | 108.3 | ||||
| 159 | I | 89.3 | Confident | 84.5 | Confident | 106 Ų | 106 | 124.7 Ų | 124.7 | 54% | 0.544 | 69% | 0.687 | S | S | . | * | P | Polyproline II helix | trans | -92.4 | 123.9 | 174.4 | -59.5 | 176.7 | 0 | 0 | 0 | 106.9 | E163 L164 | I159-E163 WeakPolarHBondContact CA-OE2 3.2Å; I159-E163 HydrophobicContact CG2-CB 3.89Å; I159-E163 HydrophobicContact CG2-CG 4.49Å; I159-L164 HydrophobicContact CD1-CD1 3.82Å; I159-L164 HydrophobicContact CD1-CG 4.49Å; I159-L164 HydrophobicContact CG2-CD1 3.85Å; I159-L164 HydrophobicContact CG2-CG 3.97Å |
| 160 | E | 87.8 | Confident | 85.4 | Confident | 126 Ų | 126 | 125.8 Ų | 125.8 | 59% | 0.589 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 159.7 | -178.7 | -65.4 | -65.1 | 166.6 | 0 | 0 | 111.5 | G162 E163 | E160-G162 PolarHBondContact O-N 3.43Å; E160-G162 VanDerWaalsContact O-N 3.13Å; E160-E163 PolarHBondContact N-OE2 3.45Å; E160-E163 WeakPolarHBondContact O-CB 3.31Å; E160-E163 PolarHBondContact O-N 2.89Å; E160-E163 VanDerWaalsContact O-N 3.16Å |
| 161 | E | 86.4 | Confident | 86.5 | Confident | 202 Ų | 202 | 118.8 Ų | 118.8 | 94% | 0.944 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | 120.4 | 177.3 | -74.1 | -175.1 | 171 | 0 | 0 | 110.8 | ||
| 162 | G | 85 | Confident | 87.8 | Confident | 58 Ų | 58 | 119.6 Ų | 119.6 | 60% | 0.598 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 97.4 | -7.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | E160 L164 F165 | E160-G162 PolarHBondContact O-N 3.43Å; E160-G162 VanDerWaalsContact O-N 3.13Å; G162-L164 VanDerWaalsContact C-N 3.29Å; G162-L164 PolarHBondContact O-N 3.35Å; G162-F165 PolarHBondContact O-N 3.3Å |
| 163 | E | 85.8 | Confident | 88.6 | Confident | 133 Ų | 133 | 120.1 Ų | 120.1 | 62% | 0.621 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -24 | -177.7 | -165.7 | 177.1 | -170 | 0 | 0 | 113.5 | I159 E160 | I159-E163 WeakPolarHBondContact CA-OE2 3.2Å; I159-E163 HydrophobicContact CG2-CB 3.89Å; I159-E163 HydrophobicContact CG2-CG 4.49Å; E160-E163 PolarHBondContact N-OE2 3.45Å; E160-E163 WeakPolarHBondContact O-CB 3.31Å; E160-E163 PolarHBondContact O-N 2.89Å; E160-E163 VanDerWaalsContact O-N 3.16Å |
| 164 | L | 87.5 | Confident | 89.5 | Confident | 139 Ų | 139 | 114.8 Ų | 114.8 | 73% | 0.728 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | 6.5 | 177.4 | -76.7 | 169.4 | 0 | 0 | 0 | 113.9 | I159 G162 D166 | I159-L164 HydrophobicContact CD1-CD1 3.82Å; I159-L164 HydrophobicContact CD1-CG 4.49Å; I159-L164 HydrophobicContact CG2-CD1 3.85Å; I159-L164 HydrophobicContact CG2-CG 3.97Å; G162-L164 VanDerWaalsContact C-N 3.29Å; G162-L164 PolarHBondContact O-N 3.35Å; L164-D166 PolarHBondContact O-N 3.01Å |
| 165 | F | 91.4 | Very high | 90.3 | Very high | 129 Ų | 129 | 112.4 Ų | 112.4 | 57% | 0.566 | 60% | 0.595 | S | S | * | * | trans | -73.9 | 117.6 | -174.7 | 178.9 | -98.4 | 0 | 0 | 0 | 111.5 | G162 F167 E170 | G162-F165 PolarHBondContact O-N 3.3Å; F165-F167 HydrophobicContact CE1-CB 3.83Å; F165-F167 HydrophobicContact CE1-CD2 4.1Å; F165-F167 HydrophobicContact CE1-CG 4.49Å; F165-F167 HydrophobicContact CZ-CB 4.43Å; F165-F167 HydrophobicContact CZ-CD2 4.24Å; F165-E170 HydrophobicContact CD2-CB 4.45Å; F165-E170 HydrophobicContact CD2-CG 3.92Å; F165-E170 HydrophobicContact CE2-CB 3.63Å; F165-E170 HydrophobicContact CE2-CG 3.6Å; F165-E170 HydrophobicContact CZ-CB 4.05Å; F165-E170 HydrophobicContact CZ-CG 4.38Å | ||
| 166 | D | 92.6 | Very high | 90.9 | Very high | 72 Ų | 72 | 113.8 Ų | 113.8 | 39% | 0.385 | 59% | 0.594 | S | S | . | * | trans | -104.7 | 107.3 | 170.2 | -177.9 | -8.6 | 0 | 0 | 0 | 109.8 | L164 D168 M169 E170 | L164-D166 PolarHBondContact O-N 3.01Å; D166-D168 VanDerWaalsContact C-N 3.29Å; D166-D168 PolarHBondContact O-N 3.17Å; D166-D168 PolarHBondContact OD1-N 3.42Å; D166-M169 HydrophobicContact CB-CB 4.12Å; D166-M169 HydrophobicContact CB-CG 4.25Å; D166-M169 HydrophobicContact CB-SD 4.45Å; D166-M169 PolarHBondContact O-N 2.96Å; D166-M169 WeakPolarHBondContact OD2-CG 3.29Å; D166-E170 WeakPolarHBondContact O-CG 3.26Å; D166-E170 PolarHBondContact O-N 3.26Å | ||
| 167 | F | 93.3 | Very high | 91.6 | Very high | 127 Ų | 127 | 112.8 Ų | 112.8 | 56% | 0.557 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -56.7 | -41.4 | -179.4 | -179.8 | -98.6 | 0 | 0 | 0 | 112.7 | F165 M169 E170 V171 | F165-F167 HydrophobicContact CE1-CB 3.83Å; F165-F167 HydrophobicContact CE1-CD2 4.1Å; F165-F167 HydrophobicContact CE1-CG 4.49Å; F165-F167 HydrophobicContact CZ-CB 4.43Å; F165-F167 HydrophobicContact CZ-CD2 4.24Å; F167-M169 VanDerWaalsContact C-N 3.28Å; F167-M169 PolarHBondContact O-N 2.99Å; F167-E170 PolarHBondContact O-N 3.03Å; F167-V171 HydrophobicContact CD1-CG1 4.3Å; F167-V171 HydrophobicContact CE1-CB 4.19Å; F167-V171 HydrophobicContact CE1-CG1 4.02Å; F167-V171 HydrophobicContact CE1-CG2 4.33Å; F167-V171 HydrophobicContact CE2-CB 4.29Å; F167-V171 HydrophobicContact CE2-CG2 4.29Å; F167-V171 HydrophobicContact CZ-CB 4.06Å; F167-V171 HydrophobicContact CZ-CG1 4.38Å; F167-V171 HydrophobicContact CZ-CG2 3.87Å; F167-V171 VanDerWaalsContact O-CB 3.27Å; F167-V171 WeakPolarHBondContact O-CB 3.37Å; F167-V171 WeakPolarHBondContact O-CG1 3.26Å; F167-V171 PolarHBondContact O-N 3.34Å |
| 168 | D | 94.5 | Very high | 92.4 | Very high | 108 Ų | 108 | 111.1 Ų | 111.1 | 58% | 0.578 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -70.5 | -29.3 | -175.1 | -71.9 | -22.6 | 0 | 0 | 0 | 111.2 | D166 R172 | D166-D168 VanDerWaalsContact C-N 3.29Å; D166-D168 PolarHBondContact O-N 3.17Å; D166-D168 PolarHBondContact OD1-N 3.42Å; D168-R172 WeakPolarHBondContact O-CG 3.33Å; D168-R172 PolarHBondContact O-NE 2.85Å; D168-R172 PolarHBondContact O-NH2 3.47Å |
| 169 | M | 93.3 | Very high | 92.9 | Very high | 110 Ų | 110 | 107.7 Ų | 107.7 | 54% | 0.542 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -73.9 | -47.7 | 171.3 | -73.3 | -171.8 | 64.3 | 0 | 0 | 112 | D166 F167 R172 | D166-M169 HydrophobicContact CB-CB 4.12Å; D166-M169 HydrophobicContact CB-CG 4.25Å; D166-M169 HydrophobicContact CB-SD 4.45Å; D166-M169 PolarHBondContact O-N 2.96Å; D166-M169 WeakPolarHBondContact OD2-CG 3.29Å; F167-M169 VanDerWaalsContact C-N 3.28Å; F167-M169 PolarHBondContact O-N 2.99Å; M169-R172 VanDerWaalsContact CG-NH2 3.26Å |
| 170 | E | 92.5 | Very high | 93.3 | Very high | 112 Ų | 112 | 104.5 Ų | 104.5 | 52% | 0.523 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -77.8 | -26.1 | -171.2 | -63.6 | -60.2 | 161.4 | 0 | 0 | 113.6 | F165 D166 F167 P173 | F165-E170 HydrophobicContact CD2-CB 4.45Å; F165-E170 HydrophobicContact CD2-CG 3.92Å; F165-E170 HydrophobicContact CE2-CB 3.63Å; F165-E170 HydrophobicContact CE2-CG 3.6Å; F165-E170 HydrophobicContact CZ-CB 4.05Å; F165-E170 HydrophobicContact CZ-CG 4.38Å; D166-E170 WeakPolarHBondContact O-CG 3.26Å; D166-E170 PolarHBondContact O-N 3.26Å; F167-E170 PolarHBondContact O-N 3.03Å; E170-P173 WeakPolarHBondContact O-CD 3.27Å |
| 171 | V | 96.2 | Very high | 93.8 | Very high | 34 Ų | 34 | 105.1 Ų | 105.1 | 21% | 0.206 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -78.2 | -22.2 | 178.4 | 78 | 0 | 0 | 0 | 0 | 113.1 | F167 V174 L175 | F167-V171 HydrophobicContact CD1-CG1 4.3Å; F167-V171 HydrophobicContact CE1-CB 4.19Å; F167-V171 HydrophobicContact CE1-CG1 4.02Å; F167-V171 HydrophobicContact CE1-CG2 4.33Å; F167-V171 HydrophobicContact CE2-CB 4.29Å; F167-V171 HydrophobicContact CE2-CG2 4.29Å; F167-V171 HydrophobicContact CZ-CB 4.06Å; F167-V171 HydrophobicContact CZ-CG1 4.38Å; F167-V171 HydrophobicContact CZ-CG2 3.87Å; F167-V171 VanDerWaalsContact O-CB 3.27Å; F167-V171 WeakPolarHBondContact O-CB 3.37Å; F167-V171 WeakPolarHBondContact O-CG1 3.26Å; F167-V171 PolarHBondContact O-N 3.34Å; V171-V174 PolarHBondContact O-N 3.41Å; V171-V174 VanDerWaalsContact O-N 3.15Å; V171-L175 HydrophobicContact CG1-CD1 4.09Å; V171-L175 HydrophobicContact CG2-CD1 3.93Å; V171-L175 HydrophobicContact CG2-CG 4.09Å; V171-L175 PolarHBondContact O-N 3.31Å |
| 172 | R | 95.7 | Very high | 94.4 | Very high | 148 Ų | 148 | 99.3 Ų | 99.3 | 56% | 0.558 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -55.9 | -50.2 | -175.3 | -96 | 178.9 | -84.9 | -158.9 | -9.6 | 113.3 | D168 M169 V174 L175 E176 | D168-R172 WeakPolarHBondContact O-CG 3.33Å; D168-R172 PolarHBondContact O-NE 2.85Å; D168-R172 PolarHBondContact O-NH2 3.47Å; M169-R172 VanDerWaalsContact CG-NH2 3.26Å; R172-V174 VanDerWaalsContact C-N 3.29Å; R172-V174 PolarHBondContact O-N 2.94Å; R172-L175 PolarHBondContact O-N 3.07Å; R172-E176 WeakPolarHBondContact O-CB 3.44Å; R172-E176 PolarHBondContact O-N 2.92Å |
| 173 | P | 97 | Very high | 95 | Very high | 72 Ų | 72 | 100.8 Ų | 100.8 | 47% | 0.468 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.9 | -35.2 | 177.8 | -22 | 33.3 | 0 | 0 | 0 | 113 | E170 V177 | E170-P173 WeakPolarHBondContact O-CD 3.27Å; P173-V177 VanDerWaalsContact O-CG2 3.31Å; P173-V177 WeakPolarHBondContact O-CG2 3.2Å; P173-V177 PolarHBondContact O-N 3.49Å; P173-V177 VanDerWaalsContact O-N 3.1Å |
| 174 | V | 96.4 | Very high | 95.5 | Very high | 85 Ų | 85 | 100.5 Ų | 100.5 | 52% | 0.515 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.1 | -46.2 | 179.5 | -178.5 | 0 | 0 | 0 | 0 | 110.5 | V171 R172 V177 L178 | V171-V174 PolarHBondContact O-N 3.41Å; V171-V174 VanDerWaalsContact O-N 3.15Å; R172-V174 VanDerWaalsContact C-N 3.29Å; R172-V174 PolarHBondContact O-N 2.94Å; V174-V177 PolarHBondContact O-N 3.07Å; V174-L178 HydrophobicContact CG1-CD1 4.13Å; V174-L178 WeakPolarHBondContact O-CB 3.42Å; V174-L178 PolarHBondContact O-N 3.41Å |
| 175 | L | 96.6 | Very high | 96.1 | Very high | 90 Ų | 90 | 99.3 Ų | 99.3 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.6 | -40.4 | 176.4 | -80.5 | 169.3 | 0 | 0 | 0 | 112 | V171 R172 V177 L178 V179 | V171-L175 HydrophobicContact CG1-CD1 4.09Å; V171-L175 HydrophobicContact CG2-CD1 3.93Å; V171-L175 HydrophobicContact CG2-CG 4.09Å; V171-L175 PolarHBondContact O-N 3.31Å; R172-L175 PolarHBondContact O-N 3.07Å; L175-V177 VanDerWaalsContact C-N 3.33Å; L175-V177 PolarHBondContact O-N 2.9Å; L175-L178 PolarHBondContact O-N 2.74Å; L175-V179 WeakPolarHBondContact O-CB 3.4Å; L175-V179 VanDerWaalsContact O-CG2 3.29Å; L175-V179 WeakPolarHBondContact O-CG2 3.49Å; L175-V179 PolarHBondContact O-N 3.08Å |
| 176 | E | 96.1 | Very high | 96.4 | Very high | 149 Ų | 149 | 95.4 Ų | 95.4 | 70% | 0.696 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.2 | -44 | 177.3 | -174.3 | 172.4 | -171.5 | 0 | 0 | 111.4 | R172 G180 | R172-E176 WeakPolarHBondContact O-CB 3.44Å; R172-E176 PolarHBondContact O-N 2.92Å; E176-G180 WeakPolarHBondContact O-CA 3.39Å; E176-G180 PolarHBondContact O-N 2.91Å |
| 177 | V | 97.6 | Very high | 96.6 | Very high | 80 Ų | 80 | 97.1 Ų | 97.1 | 49% | 0.485 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.8 | -41.4 | 176.4 | 174 | 0 | 0 | 0 | 0 | 111.6 | P173 V174 L175 K181 | P173-V177 VanDerWaalsContact O-CG2 3.31Å; P173-V177 WeakPolarHBondContact O-CG2 3.2Å; P173-V177 PolarHBondContact O-N 3.49Å; P173-V177 VanDerWaalsContact O-N 3.1Å; V174-V177 PolarHBondContact O-N 3.07Å; L175-V177 VanDerWaalsContact C-N 3.33Å; L175-V177 PolarHBondContact O-N 2.9Å; V177-K181 HydrophobicContact CG1-CD 4.01Å; V177-K181 HydrophobicContact CG1-CG 4.36Å; V177-K181 VanDerWaalsContact O-CB 3.29Å; V177-K181 WeakPolarHBondContact O-CB 3.37Å; V177-K181 WeakPolarHBondContact O-CG 3.37Å; V177-K181 PolarHBondContact O-N 3.41Å |
| 178 | L | 97.9 | Very high | 96.9 | Very high | 100 Ų | 100 | 95.5 Ų | 95.5 | 52% | 0.524 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.5 | -48.7 | 178.6 | -93.3 | 162.3 | 0 | 0 | 0 | 111.9 | V174 L175 T182 | V174-L178 HydrophobicContact CG1-CD1 4.13Å; V174-L178 WeakPolarHBondContact O-CB 3.42Å; V174-L178 PolarHBondContact O-N 3.41Å; L175-L178 PolarHBondContact O-N 2.74Å; L178-T182 WeakPolarHBondContact O-CB 3.3Å; L178-T182 WeakPolarHBondContact O-CG2 3.31Å; L178-T182 PolarHBondContact O-N 3.1Å; L178-T182 PolarHBondContact O-OG1 3.04Å |
| 179 | V | 98 | Very high | 97 | Very high | 82 Ų | 82 | 94.8 Ų | 94.8 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68 | -42.4 | 179.2 | 177 | 0 | 0 | 0 | 0 | 110.2 | L175 T182 V183 | L175-V179 WeakPolarHBondContact O-CB 3.4Å; L175-V179 VanDerWaalsContact O-CG2 3.29Å; L175-V179 WeakPolarHBondContact O-CG2 3.49Å; L175-V179 PolarHBondContact O-N 3.08Å; V179-T182 WeakPolarHBondContact CA-OG1 3.38Å; V179-T182 PolarHBondContact O-N 3.49Å; V179-T182 PolarHBondContact O-OG1 3.24Å; V179-V183 HydrophobicContact CG1-CG2 4.27Å; V179-V183 WeakPolarHBondContact O-CB 3.48Å; V179-V183 VanDerWaalsContact O-CG2 3.26Å; V179-V183 WeakPolarHBondContact O-CG2 3.42Å; V179-V183 PolarHBondContact O-N 3.06Å |
| 180 | G | 98.1 | Very high | 97.3 | Very high | 38 Ų | 38 | 93.1 Ų | 93.1 | 39% | 0.392 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.2 | -52.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E176 T182 V183 E184 | E176-G180 WeakPolarHBondContact O-CA 3.39Å; E176-G180 PolarHBondContact O-N 2.91Å; G180-T182 PolarHBondContact O-N 3.17Å; G180-V183 PolarHBondContact O-N 3.42Å; G180-E184 VanDerWaalsContact O-CB 3.26Å; G180-E184 WeakPolarHBondContact O-CB 3.31Å; G180-E184 PolarHBondContact O-N 2.89Å |
| 181 | K | 97.9 | Very high | 97.5 | Very high | 139 Ų | 139 | 92.4 Ų | 92.4 | 60% | 0.604 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65 | -40.5 | 179.5 | -75.4 | -175.2 | 175.6 | -173.6 | 0 | 113.1 | V177 Q185 | V177-K181 HydrophobicContact CG1-CD 4.01Å; V177-K181 HydrophobicContact CG1-CG 4.36Å; V177-K181 VanDerWaalsContact O-CB 3.29Å; V177-K181 WeakPolarHBondContact O-CB 3.37Å; V177-K181 WeakPolarHBondContact O-CG 3.37Å; V177-K181 PolarHBondContact O-N 3.41Å; K181-Q185 WeakPolarHBondContact O-CB 3.38Å; K181-Q185 PolarHBondContact O-N 2.97Å |
| 182 | T | 98.1 | Very high | 97.6 | Very high | 80 Ų | 80 | 96.6 Ų | 96.6 | 49% | 0.491 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.3 | -41.1 | 180 | 48.1 | 0 | 0 | 0 | 0 | 111.6 | L178 V179 G180 A186 | L178-T182 WeakPolarHBondContact O-CB 3.3Å; L178-T182 WeakPolarHBondContact O-CG2 3.31Å; L178-T182 PolarHBondContact O-N 3.1Å; L178-T182 PolarHBondContact O-OG1 3.04Å; V179-T182 WeakPolarHBondContact CA-OG1 3.38Å; V179-T182 PolarHBondContact O-N 3.49Å; V179-T182 PolarHBondContact O-OG1 3.24Å; G180-T182 PolarHBondContact O-N 3.17Å; T182-A186 VanDerWaalsContact O-CB 3.26Å; T182-A186 WeakPolarHBondContact O-CB 3.41Å; T182-A186 PolarHBondContact O-N 3.14Å |
| 183 | V | 98 | Very high | 97.8 | Very high | 90 Ų | 90 | 96 Ų | 96 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70 | -42.5 | 176.5 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | V179 G180 A186 L187 | V179-V183 HydrophobicContact CG1-CG2 4.27Å; V179-V183 WeakPolarHBondContact O-CB 3.48Å; V179-V183 VanDerWaalsContact O-CG2 3.26Å; V179-V183 WeakPolarHBondContact O-CG2 3.42Å; V179-V183 PolarHBondContact O-N 3.06Å; G180-V183 PolarHBondContact O-N 3.42Å; V183-A186 PolarHBondContact O-N 3.32Å; V183-L187 WeakPolarHBondContact O-CB 3.39Å; V183-L187 PolarHBondContact O-N 2.92Å |
| 184 | E | 97.6 | Very high | 97.8 | Very high | 127 Ų | 127 | 99.2 Ų | 99.2 | 59% | 0.593 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.9 | -46.3 | 178 | -175.2 | 176.2 | -173.2 | 0 | 0 | 111.5 | G180 L187 L188 | G180-E184 VanDerWaalsContact O-CB 3.26Å; G180-E184 WeakPolarHBondContact O-CB 3.31Å; G180-E184 PolarHBondContact O-N 2.89Å; E184-L187 PolarHBondContact O-N 3.43Å; E184-L188 HydrophobicContact CG-CD1 4.45Å; E184-L188 WeakPolarHBondContact O-CG 3.31Å; E184-L188 PolarHBondContact O-N 3.44Å |
| 185 | Q | 98.3 | Very high | 97.9 | Very high | 114 Ų | 114 | 101.1 Ų | 101.1 | 53% | 0.533 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.3 | -47.1 | 176.4 | -177.2 | 178.2 | -17.1 | 0 | 0 | 111.5 | K181 L187 L188 E189 | K181-Q185 WeakPolarHBondContact O-CB 3.38Å; K181-Q185 PolarHBondContact O-N 2.97Å; Q185-L187 VanDerWaalsContact C-N 3.28Å; Q185-L187 PolarHBondContact O-N 3.16Å; Q185-L188 PolarHBondContact O-N 3.37Å; Q185-E189 HydrophobicContact CG-CG 4.46Å; Q185-E189 VanDerWaalsContact CG-OE1 3.31Å; Q185-E189 WeakPolarHBondContact CG-OE1 3.5Å; Q185-E189 PolarHBondContact NE2-OE1 3.25Å; Q185-E189 WeakPolarHBondContact O-CG 3.47Å; Q185-E189 PolarHBondContact O-N 3.42Å |
| 186 | A | 98.1 | Very high | 97.9 | Very high | 47 Ų | 47 | 100.8 Ų | 100.8 | 39% | 0.388 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.2 | -37.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T182 V183 V190 | T182-A186 VanDerWaalsContact O-CB 3.26Å; T182-A186 WeakPolarHBondContact O-CB 3.41Å; T182-A186 PolarHBondContact O-N 3.14Å; V183-A186 PolarHBondContact O-N 3.32Å; A186-V190 VanDerWaalsContact O-CG2 3.27Å; A186-V190 WeakPolarHBondContact O-CG2 3.39Å; A186-V190 PolarHBondContact O-N 2.92Å; A186-V190 VanDerWaalsContact O-N 3.09Å |
| 187 | L | 98 | Very high | 98 | Very high | 107 Ų | 107 | 96.2 Ų | 96.2 | 56% | 0.56 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.1 | -44 | 177.2 | -177.1 | 63.9 | 0 | 0 | 0 | 111.6 | V183 E184 Q185 V190 M191 | V183-L187 WeakPolarHBondContact O-CB 3.39Å; V183-L187 PolarHBondContact O-N 2.92Å; E184-L187 PolarHBondContact O-N 3.43Å; Q185-L187 VanDerWaalsContact C-N 3.28Å; Q185-L187 PolarHBondContact O-N 3.16Å; L187-V190 PolarHBondContact O-N 3.1Å; L187-M191 HydrophobicContact CG-SD 4.38Å; L187-M191 VanDerWaalsContact O-CG 3.31Å; L187-M191 WeakPolarHBondContact O-CG 3.41Å; L187-M191 PolarHBondContact O-N 3.02Å |
| 188 | L | 98.3 | Very high | 98.1 | Very high | 94 Ų | 94 | 95.3 Ų | 95.3 | 49% | 0.492 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 177.2 | -71.7 | 171.7 | 0 | 0 | 0 | 111.6 | E184 Q185 V190 M191 E192 | E184-L188 HydrophobicContact CG-CD1 4.45Å; E184-L188 WeakPolarHBondContact O-CG 3.31Å; E184-L188 PolarHBondContact O-N 3.44Å; Q185-L188 PolarHBondContact O-N 3.37Å; L188-V190 PolarHBondContact O-N 3.36Å; L188-M191 PolarHBondContact O-N 2.86Å; L188-E192 WeakPolarHBondContact O-CG 3.39Å; L188-E192 PolarHBondContact O-N 3.38Å |
| 189 | E | 98.3 | Very high | 98.1 | Very high | 92 Ų | 92 | 95.6 Ų | 95.6 | 43% | 0.43 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.5 | -45.8 | 178.2 | -72.2 | 173 | -173.1 | 0 | 0 | 111.6 | Q185 M191 E192 E193 | Q185-E189 HydrophobicContact CG-CG 4.46Å; Q185-E189 VanDerWaalsContact CG-OE1 3.31Å; Q185-E189 WeakPolarHBondContact CG-OE1 3.5Å; Q185-E189 PolarHBondContact NE2-OE1 3.25Å; Q185-E189 WeakPolarHBondContact O-CG 3.47Å; Q185-E189 PolarHBondContact O-N 3.42Å; E189-M191 PolarHBondContact O-N 2.92Å; E189-E192 PolarHBondContact O-N 3.5Å; E189-E193 WeakPolarHBondContact O-CG 3.34Å; E189-E193 PolarHBondContact O-N 2.97Å |
| 190 | V | 98.6 | Very high | 98.1 | Very high | 76 Ų | 76 | 98.8 Ų | 98.8 | 46% | 0.461 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 178.2 | 172.3 | 0 | 0 | 0 | 0 | 111.7 | A186 L187 L188 E193 E194 | A186-V190 VanDerWaalsContact O-CG2 3.27Å; A186-V190 WeakPolarHBondContact O-CG2 3.39Å; A186-V190 PolarHBondContact O-N 2.92Å; A186-V190 VanDerWaalsContact O-N 3.09Å; L187-V190 PolarHBondContact O-N 3.1Å; L188-V190 PolarHBondContact O-N 3.36Å; V190-E193 PolarHBondContact O-N 2.99Å; V190-E194 PolarHBondContact O-N 3.33Å |
| 191 | M | 97.8 | Very high | 98.1 | Very high | 97 Ų | 97 | 99.2 Ų | 99.2 | 48% | 0.478 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 176.4 | -73.8 | -174.9 | 67.6 | 0 | 0 | 111.6 | L187 L188 E189 E193 E194 E195 | L187-M191 HydrophobicContact CG-SD 4.38Å; L187-M191 VanDerWaalsContact O-CG 3.31Å; L187-M191 WeakPolarHBondContact O-CG 3.41Å; L187-M191 PolarHBondContact O-N 3.02Å; L188-M191 PolarHBondContact O-N 2.86Å; E189-M191 PolarHBondContact O-N 2.92Å; M191-E193 VanDerWaalsContact C-N 3.34Å; M191-E193 PolarHBondContact O-N 3.41Å; M191-E194 PolarHBondContact O-N 3.13Å; M191-E195 WeakPolarHBondContact O-CG 3.41Å; M191-E195 PolarHBondContact O-N 3.28Å |
| 192 | E | 98.2 | Very high | 98.1 | Very high | 121 Ų | 121 | 97.4 Ų | 97.4 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.1 | -40.6 | 176.3 | -72.7 | -179.3 | -175.8 | 0 | 0 | 111.9 | L188 E189 E195 L196 | L188-E192 WeakPolarHBondContact O-CG 3.39Å; L188-E192 PolarHBondContact O-N 3.38Å; E189-E192 PolarHBondContact O-N 3.5Å; E192-E195 PolarHBondContact O-N 3.02Å; E192-L196 WeakPolarHBondContact O-CB 3.22Å; E192-L196 VanDerWaalsContact O-CG 3.31Å; E192-L196 WeakPolarHBondContact O-CG 3.35Å; E192-L196 PolarHBondContact O-N 3.39Å |
| 193 | E | 98.1 | Very high | 98.1 | Very high | 136 Ų | 136 | 98.9 Ų | 98.9 | 64% | 0.636 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.2 | -43.5 | 176.4 | -76.3 | -173.9 | 172.4 | 0 | 0 | 112.6 | E189 V190 M191 L196 A197 | E189-E193 WeakPolarHBondContact O-CG 3.34Å; E189-E193 PolarHBondContact O-N 2.97Å; V190-E193 PolarHBondContact O-N 2.99Å; M191-E193 VanDerWaalsContact C-N 3.34Å; M191-E193 PolarHBondContact O-N 3.41Å; E193-L196 PolarHBondContact O-N 2.94Å; E193-A197 VanDerWaalsContact O-CB 3.3Å; E193-A197 WeakPolarHBondContact O-CB 3.33Å; E193-A197 PolarHBondContact O-N 3.24Å |
| 194 | E | 97.9 | Very high | 98.1 | Very high | 140 Ų | 140 | 101.4 Ų | 101.4 | 65% | 0.654 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.9 | -42.6 | 176.2 | -78 | -165.1 | 158.7 | 0 | 0 | 112 | V190 M191 A197 S198 | V190-E194 PolarHBondContact O-N 3.33Å; M191-E194 PolarHBondContact O-N 3.13Å; E194-A197 PolarHBondContact O-N 3.3Å; E194-S198 WeakPolarHBondContact O-CB 3.47Å; E194-S198 PolarHBondContact O-N 3.39Å |
| 195 | E | 97.7 | Very high | 98.1 | Very high | 124 Ų | 124 | 97.9 Ų | 97.9 | 58% | 0.579 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.5 | -47.2 | 176 | -74.4 | -174.7 | -178.7 | 0 | 0 | 111.4 | M191 E192 A197 S198 L199 | M191-E195 WeakPolarHBondContact O-CG 3.41Å; M191-E195 PolarHBondContact O-N 3.28Å; E192-E195 PolarHBondContact O-N 3.02Å; E195-A197 VanDerWaalsContact C-N 3.32Å; E195-A197 PolarHBondContact O-N 2.87Å; E195-S198 WeakPolarHBondContact O-CB 3.42Å; E195-S198 PolarHBondContact O-N 3.37Å; E195-L199 WeakPolarHBondContact O-CG 3.48Å; E195-L199 PolarHBondContact O-N 3.2Å |
| 196 | L | 98.2 | Very high | 98.1 | Very high | 84 Ų | 84 | 99.3 Ų | 99.3 | 44% | 0.44 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.9 | -39.5 | 175.8 | -75.8 | 172.4 | 0 | 0 | 0 | 112 | E192 E193 R200 | E192-L196 WeakPolarHBondContact O-CB 3.22Å; E192-L196 VanDerWaalsContact O-CG 3.31Å; E192-L196 WeakPolarHBondContact O-CG 3.35Å; E192-L196 PolarHBondContact O-N 3.39Å; E193-L196 PolarHBondContact O-N 2.94Å; L196-R200 WeakPolarHBondContact O-CB 3.41Å; L196-R200 WeakPolarHBondContact O-CG 3.37Å; L196-R200 PolarHBondContact O-N 2.92Å |
| 197 | A | 98.1 | Very high | 98.1 | Very high | 52 Ų | 52 | 101.3 Ų | 101.3 | 43% | 0.43 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E193 E194 E195 R200 A201 | E193-A197 VanDerWaalsContact O-CB 3.3Å; E193-A197 WeakPolarHBondContact O-CB 3.33Å; E193-A197 PolarHBondContact O-N 3.24Å; E194-A197 PolarHBondContact O-N 3.3Å; E195-A197 VanDerWaalsContact C-N 3.32Å; E195-A197 PolarHBondContact O-N 2.87Å; A197-R200 PolarHBondContact O-N 2.93Å; A197-A201 WeakPolarHBondContact O-CB 3.5Å; A197-A201 PolarHBondContact O-N 2.97Å |
| 198 | S | 98.3 | Very high | 98.1 | Very high | 62 Ų | 62 | 102.8 Ų | 102.8 | 43% | 0.434 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.3 | -48.9 | 176.5 | -173.8 | 0 | 0 | 0 | 0 | 111.6 | E194 E195 R200 A201 Q202 | E194-S198 WeakPolarHBondContact O-CB 3.47Å; E194-S198 PolarHBondContact O-N 3.39Å; E195-S198 WeakPolarHBondContact O-CB 3.42Å; E195-S198 PolarHBondContact O-N 3.37Å; S198-R200 PolarHBondContact O-N 2.9Å; S198-A201 WeakPolarHBondContact O-CB 3.41Å; S198-A201 PolarHBondContact O-N 3.45Å; S198-A201 VanDerWaalsContact O-N 3.16Å; S198-Q202 WeakPolarHBondContact O-CG 3.4Å; S198-Q202 PolarHBondContact O-N 3.36Å |
| 199 | L | 98.2 | Very high | 98.1 | Very high | 105 Ų | 105 | 103 Ų | 103 | 55% | 0.55 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.8 | -44 | 177.1 | -71.4 | 174.2 | 0 | 0 | 0 | 112 | E195 A201 Q202 Q203 | E195-L199 WeakPolarHBondContact O-CG 3.48Å; E195-L199 PolarHBondContact O-N 3.2Å; L199-A201 VanDerWaalsContact C-N 3.31Å; L199-A201 PolarHBondContact O-N 3.12Å; L199-Q202 PolarHBondContact O-N 3.38Å; L199-Q203 WeakPolarHBondContact O-CB 3.49Å; L199-Q203 PolarHBondContact O-N 3.44Å |
| 200 | R | 98.3 | Very high | 98.1 | Very high | 149 Ų | 149 | 106.8 Ų | 106.8 | 56% | 0.562 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.3 | -34.9 | 176 | -74.2 | 172 | -178.6 | 152.2 | 1.5 | 112.5 | L196 A197 S198 R204 | L196-R200 WeakPolarHBondContact O-CB 3.41Å; L196-R200 WeakPolarHBondContact O-CG 3.37Å; L196-R200 PolarHBondContact O-N 2.92Å; A197-R200 PolarHBondContact O-N 2.93Å; S198-R200 PolarHBondContact O-N 2.9Å; R200-R204 WeakPolarHBondContact O-CB 3.44Å; R200-R204 WeakPolarHBondContact O-CG 3.41Å; R200-R204 PolarHBondContact O-N 3.43Å; R200-R204 VanDerWaalsContact O-N 3.14Å; R200-R204 PolarHBondContact O-NE 3.04Å |
| 201 | A | 98.1 | Very high | 98 | Very high | 48 Ų | 48 | 107.7 Ų | 107.7 | 40% | 0.397 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.7 | -44.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | A197 S198 L199 R204 A205 | A197-A201 WeakPolarHBondContact O-CB 3.5Å; A197-A201 PolarHBondContact O-N 2.97Å; S198-A201 WeakPolarHBondContact O-CB 3.41Å; S198-A201 PolarHBondContact O-N 3.45Å; S198-A201 VanDerWaalsContact O-N 3.16Å; L199-A201 VanDerWaalsContact C-N 3.31Å; L199-A201 PolarHBondContact O-N 3.12Å; A201-R204 PolarHBondContact O-N 2.88Å; A201-A205 PolarHBondContact O-N 3.15Å |
| 202 | Q | 98.1 | Very high | 98 | Very high | 100 Ų | 100 | 106 Ų | 106 | 47% | 0.467 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.7 | -48.9 | 174.7 | -70.5 | 177.9 | 6.2 | 0 | 0 | 111.4 | S198 L199 R204 A205 F206 | S198-Q202 WeakPolarHBondContact O-CG 3.4Å; S198-Q202 PolarHBondContact O-N 3.36Å; L199-Q202 PolarHBondContact O-N 3.38Å; Q202-R204 VanDerWaalsContact C-N 3.33Å; Q202-R204 PolarHBondContact O-N 3.45Å; Q202-A205 PolarHBondContact O-N 2.98Å; Q202-A205 VanDerWaalsContact O-N 3.17Å; Q202-F206 HydrophobicContact CB-CD2 4.49Å; Q202-F206 HydrophobicContact CB-CE2 4.49Å; Q202-F206 WeakPolarHBondContact O-CD2 3.36Å; Q202-F206 PolarHBondContact O-N 2.88Å |
| 203 | Q | 97.9 | Very high | 98 | Very high | 111 Ų | 111 | 105.2 Ų | 105.2 | 52% | 0.519 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.4 | -45.5 | 179.1 | -175.8 | 177.6 | -1.6 | 0 | 0 | 111.8 | L199 A205 F206 E207 | L199-Q203 WeakPolarHBondContact O-CB 3.49Å; L199-Q203 PolarHBondContact O-N 3.44Å; Q203-A205 PolarHBondContact O-N 2.87Å; Q203-F206 PolarHBondContact O-N 3.15Å; Q203-E207 HydrophobicContact CG-CG 4.44Å; Q203-E207 WeakPolarHBondContact CG-OE1 3.28Å; Q203-E207 PolarHBondContact NE2-OE1 2.92Å; Q203-E207 WeakPolarHBondContact O-CB 3.37Å; Q203-E207 WeakPolarHBondContact O-CG 3.34Å; Q203-E207 PolarHBondContact O-N 3.31Å |
| 204 | R | 97.9 | Very high | 98 | Very high | 143 Ų | 143 | 102.6 Ų | 102.6 | 54% | 0.54 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 176.1 | -78.3 | 179.5 | -77.3 | 151.5 | -8.1 | 112.2 | R200 A201 Q202 F206 E207 E208 | R200-R204 WeakPolarHBondContact O-CB 3.44Å; R200-R204 WeakPolarHBondContact O-CG 3.41Å; R200-R204 PolarHBondContact O-N 3.43Å; R200-R204 VanDerWaalsContact O-N 3.14Å; R200-R204 PolarHBondContact O-NE 3.04Å; A201-R204 PolarHBondContact O-N 2.88Å; Q202-R204 VanDerWaalsContact C-N 3.33Å; Q202-R204 PolarHBondContact O-N 3.45Å; R204-F206 VanDerWaalsContact C-N 3.32Å; R204-F206 PolarHBondContact O-N 2.87Å; R204-E207 PolarHBondContact O-N 3.27Å; R204-E208 WeakPolarHBondContact O-CB 3.42Å; R204-E208 WeakPolarHBondContact O-CG 3.47Å; R204-E208 PolarHBondContact O-N 2.92Å |
| 205 | A | 98.2 | Very high | 97.9 | Very high | 54 Ų | 54 | 100.3 Ų | 100.3 | 45% | 0.446 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.4 | -40.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A201 Q202 Q203 L209 | A201-A205 PolarHBondContact O-N 3.15Å; Q202-A205 PolarHBondContact O-N 2.98Å; Q202-A205 VanDerWaalsContact O-N 3.17Å; Q203-A205 PolarHBondContact O-N 2.87Å; A205-L209 WeakPolarHBondContact O-CB 3.24Å; A205-L209 PolarHBondContact O-N 2.86Å |
| 206 | F | 98.1 | Very high | 97.9 | Very high | 144 Ų | 144 | 99.6 Ų | 99.6 | 63% | 0.632 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.4 | -41.5 | 174.8 | -81.5 | -66.9 | 0 | 0 | 0 | 112.6 | Q202 Q203 R204 L209 R210 | Q202-F206 HydrophobicContact CB-CD2 4.49Å; Q202-F206 HydrophobicContact CB-CE2 4.49Å; Q202-F206 WeakPolarHBondContact O-CD2 3.36Å; Q202-F206 PolarHBondContact O-N 2.88Å; Q203-F206 PolarHBondContact O-N 3.15Å; R204-F206 VanDerWaalsContact C-N 3.32Å; R204-F206 PolarHBondContact O-N 2.87Å; F206-L209 PolarHBondContact O-N 3.05Å; F206-R210 VanDerWaalsContact O-CB 3.24Å; F206-R210 WeakPolarHBondContact O-CB 3.4Å; F206-R210 PolarHBondContact O-N 2.93Å |
| 207 | E | 98.1 | Very high | 97.8 | Very high | 89 Ų | 89 | 99.1 Ų | 99.1 | 42% | 0.416 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.9 | -42 | 177.1 | -75.8 | 173.9 | -172.9 | 0 | 0 | 111.6 | Q203 R204 R210 N211 | Q203-E207 HydrophobicContact CG-CG 4.44Å; Q203-E207 WeakPolarHBondContact CG-OE1 3.28Å; Q203-E207 PolarHBondContact NE2-OE1 2.92Å; Q203-E207 WeakPolarHBondContact O-CB 3.37Å; Q203-E207 WeakPolarHBondContact O-CG 3.34Å; Q203-E207 PolarHBondContact O-N 3.31Å; R204-E207 PolarHBondContact O-N 3.27Å; E207-R210 PolarHBondContact O-N 3.18Å; E207-N211 VanDerWaalsContact O-CB 3.28Å; E207-N211 WeakPolarHBondContact O-CB 3.47Å; E207-N211 PolarHBondContact O-N 3.38Å; E207-N211 PolarHBondContact O-ND2 3.49Å; E207-N211 VanDerWaalsContact O-ND2 3.15Å |
| 208 | E | 97.8 | Very high | 97.7 | Very high | 137 Ų | 137 | 101.5 Ų | 101.5 | 64% | 0.64 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.8 | -48.2 | 174.6 | -75.1 | 174 | -170.7 | 0 | 0 | 111.7 | R204 N211 A212 | R204-E208 WeakPolarHBondContact O-CB 3.42Å; R204-E208 WeakPolarHBondContact O-CG 3.47Å; R204-E208 PolarHBondContact O-N 2.92Å; E208-N211 PolarHBondContact O-N 3.36Å; E208-A212 WeakPolarHBondContact O-CB 3.49Å; E208-A212 PolarHBondContact O-N 3.42Å |
| 209 | L | 97.9 | Very high | 97.7 | Very high | 98 Ų | 98 | 105.2 Ų | 105.2 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.5 | -48.5 | 177.2 | -177.9 | 64.3 | 0 | 0 | 0 | 111.3 | A205 F206 N211 A212 E213 | A205-L209 WeakPolarHBondContact O-CB 3.24Å; A205-L209 PolarHBondContact O-N 2.86Å; F206-L209 PolarHBondContact O-N 3.05Å; L209-N211 VanDerWaalsContact C-N 3.3Å; L209-N211 PolarHBondContact O-N 2.64Å; L209-A212 WeakPolarHBondContact O-CB 3.38Å; L209-A212 PolarHBondContact O-N 3.34Å; L209-A212 VanDerWaalsContact O-N 3.15Å; L209-E213 HydrophobicContact CD1-CG 4.48Å; L209-E213 HydrophobicContact CG-CG 4.5Å; L209-E213 WeakPolarHBondContact O-CG 3.14Å; L209-E213 PolarHBondContact O-N 2.69Å |
| 210 | R | 98.1 | Very high | 97.7 | Very high | 172 Ų | 172 | 104.1 Ų | 104.1 | 65% | 0.649 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.3 | -40.5 | 179.2 | -177.4 | -178.7 | 178.8 | -138.2 | -0.9 | 111.9 | F206 E207 L214 | F206-R210 VanDerWaalsContact O-CB 3.24Å; F206-R210 WeakPolarHBondContact O-CB 3.4Å; F206-R210 PolarHBondContact O-N 2.93Å; E207-R210 PolarHBondContact O-N 3.18Å; R210-L214 VanDerWaalsContact O-CB 3.27Å; R210-L214 WeakPolarHBondContact O-CB 3.34Å; R210-L214 PolarHBondContact O-N 2.92Å |
| 211 | N | 97.8 | Very high | 97.6 | Very high | 96 Ų | 96 | 102.7 Ų | 102.7 | 51% | 0.513 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.1 | -40.1 | 177.4 | -71.1 | -22 | 0 | 0 | 0 | 111.1 | E207 E208 L209 L214 V215 | E207-N211 VanDerWaalsContact O-CB 3.28Å; E207-N211 WeakPolarHBondContact O-CB 3.47Å; E207-N211 PolarHBondContact O-N 3.38Å; E207-N211 PolarHBondContact O-ND2 3.49Å; E207-N211 VanDerWaalsContact O-ND2 3.15Å; E208-N211 PolarHBondContact O-N 3.36Å; L209-N211 VanDerWaalsContact C-N 3.3Å; L209-N211 PolarHBondContact O-N 2.64Å; N211-L214 PolarHBondContact O-N 3.03Å; N211-V215 WeakPolarHBondContact O-CG2 3.27Å; N211-V215 PolarHBondContact O-N 3.48Å; N211-V215 VanDerWaalsContact O-N 3.12Å |
| 212 | A | 97.8 | Very high | 97.5 | Very high | 61 Ų | 61 | 105.1 Ų | 105.1 | 50% | 0.504 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.3 | -46.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E208 L209 L214 V215 E216 | E208-A212 WeakPolarHBondContact O-CB 3.49Å; E208-A212 PolarHBondContact O-N 3.42Å; L209-A212 WeakPolarHBondContact O-CB 3.38Å; L209-A212 PolarHBondContact O-N 3.34Å; L209-A212 VanDerWaalsContact O-N 3.15Å; A212-L214 PolarHBondContact O-N 3.47Å; A212-V215 PolarHBondContact O-N 3.33Å; A212-E216 PolarHBondContact O-N 3.47Å |
| 213 | E | 97.1 | Very high | 97.4 | Very high | 104 Ų | 104 | 104.6 Ų | 104.6 | 49% | 0.486 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 176 | -72.7 | 177 | 173.4 | 0 | 0 | 111.7 | L209 V215 E216 V217 | L209-E213 HydrophobicContact CD1-CG 4.48Å; L209-E213 HydrophobicContact CG-CG 4.5Å; L209-E213 WeakPolarHBondContact O-CG 3.14Å; L209-E213 PolarHBondContact O-N 2.69Å; E213-V215 VanDerWaalsContact C-N 3.34Å; E213-V215 PolarHBondContact O-N 3.2Å; E213-E216 PolarHBondContact O-N 3.05Å; E213-E216 VanDerWaalsContact O-N 3.17Å; E213-V217 WeakPolarHBondContact O-CG2 3.47Å; E213-V217 PolarHBondContact O-N 2.99Å |
| 214 | L | 98.1 | Very high | 97.2 | Very high | 81 Ų | 81 | 104.4 Ų | 104.4 | 42% | 0.424 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 179.5 | -175.4 | 146.3 | 0 | 0 | 0 | 111.9 | R210 N211 A212 E216 V217 Q218 | R210-L214 VanDerWaalsContact O-CB 3.27Å; R210-L214 WeakPolarHBondContact O-CB 3.34Å; R210-L214 PolarHBondContact O-N 2.92Å; N211-L214 PolarHBondContact O-N 3.03Å; A212-L214 PolarHBondContact O-N 3.47Å; L214-E216 VanDerWaalsContact C-N 3.34Å; L214-V217 PolarHBondContact O-N 3.17Å; L214-Q218 HydrophobicContact CD2-CG 4.43Å; L214-Q218 WeakPolarHBondContact O-CG 3.44Å; L214-Q218 PolarHBondContact O-N 3.17Å |
| 215 | V | 97.1 | Very high | 97.2 | Very high | 93 Ų | 93 | 104.4 Ų | 104.4 | 56% | 0.564 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65 | -39.7 | 175.3 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | N211 A212 E213 Q218 R219 | N211-V215 WeakPolarHBondContact O-CG2 3.27Å; N211-V215 PolarHBondContact O-N 3.48Å; N211-V215 VanDerWaalsContact O-N 3.12Å; A212-V215 PolarHBondContact O-N 3.33Å; E213-V215 VanDerWaalsContact C-N 3.34Å; E213-V215 PolarHBondContact O-N 3.2Å; V215-Q218 PolarHBondContact O-N 3.42Å; V215-R219 PolarHBondContact O-N 3.42Å |
| 216 | E | 95.8 | Very high | 97.1 | Very high | 108 Ų | 108 | 109.4 Ų | 109.4 | 51% | 0.505 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.2 | -44.7 | 176.8 | -174.7 | 173.2 | -169.4 | 0 | 0 | 112.2 | A212 E213 L214 Q218 R219 L220 | A212-E216 PolarHBondContact O-N 3.47Å; E213-E216 PolarHBondContact O-N 3.05Å; E213-E216 VanDerWaalsContact O-N 3.17Å; L214-E216 VanDerWaalsContact C-N 3.34Å; E216-Q218 PolarHBondContact O-N 2.99Å; E216-R219 WeakPolarHBondContact O-CB 3.34Å; E216-R219 PolarHBondContact O-N 3.45Å; E216-L220 HydrophobicContact CG-CD1 4.32Å; E216-L220 WeakPolarHBondContact O-CG 3.39Å; E216-L220 PolarHBondContact O-N 2.87Å |
| 217 | V | 97.4 | Very high | 97 | Very high | 74 Ų | 74 | 107.7 Ų | 107.7 | 45% | 0.448 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.1 | -47.6 | 176.2 | 170.9 | 0 | 0 | 0 | 0 | 110.4 | E213 L214 R219 L220 E221 | E213-V217 WeakPolarHBondContact O-CG2 3.47Å; E213-V217 PolarHBondContact O-N 2.99Å; L214-V217 PolarHBondContact O-N 3.17Å; V217-R219 VanDerWaalsContact C-N 3.29Å; V217-R219 PolarHBondContact O-N 3.31Å; V217-L220 PolarHBondContact O-N 3.35Å; V217-L220 VanDerWaalsContact O-N 3.11Å; V217-E221 HydrophobicContact CG1-CG 4.2Å; V217-E221 WeakPolarHBondContact O-CG 3.41Å; V217-E221 PolarHBondContact O-N 3.5Å |
| 218 | Q | 96.7 | Very high | 97 | Very high | 102 Ų | 102 | 110 Ų | 110 | 48% | 0.477 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58 | -42.1 | 176.6 | -75 | 179.2 | -4.6 | 0 | 0 | 112.2 | L214 V215 E216 L220 E221 E222 | L214-Q218 HydrophobicContact CD2-CG 4.43Å; L214-Q218 WeakPolarHBondContact O-CG 3.44Å; L214-Q218 PolarHBondContact O-N 3.17Å; V215-Q218 PolarHBondContact O-N 3.42Å; E216-Q218 PolarHBondContact O-N 2.99Å; Q218-L220 VanDerWaalsContact C-N 3.34Å; Q218-L220 PolarHBondContact O-N 2.9Å; Q218-E221 PolarHBondContact O-N 3.03Å; Q218-E222 PolarHBondContact O-N 3Å |
| 219 | R | 97.3 | Very high | 96.9 | Very high | 140 Ų | 140 | 107 Ų | 107 | 53% | 0.528 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.8 | -43 | 176.4 | -169.8 | -169.7 | 73.6 | 85.9 | -0.1 | 111.6 | V215 E216 V217 Q223 | V215-R219 PolarHBondContact O-N 3.42Å; E216-R219 WeakPolarHBondContact O-CB 3.34Å; E216-R219 PolarHBondContact O-N 3.45Å; V217-R219 VanDerWaalsContact C-N 3.29Å; V217-R219 PolarHBondContact O-N 3.31Å; R219-Q223 PolarHBondContact O-N 2.85Å; R219-Q223 VanDerWaalsContact O-N 3.17Å |
| 220 | L | 97.5 | Very high | 96.9 | Very high | 82 Ų | 82 | 106.4 Ų | 106.4 | 43% | 0.429 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.4 | -42.1 | 178.9 | -70.1 | 173.9 | 0 | 0 | 0 | 111.9 | E216 V217 Q218 E222 Q223 E224 | E216-L220 HydrophobicContact CG-CD1 4.32Å; E216-L220 WeakPolarHBondContact O-CG 3.39Å; E216-L220 PolarHBondContact O-N 2.87Å; V217-L220 PolarHBondContact O-N 3.35Å; V217-L220 VanDerWaalsContact O-N 3.11Å; Q218-L220 VanDerWaalsContact C-N 3.34Å; Q218-L220 PolarHBondContact O-N 2.9Å; L220-E222 PolarHBondContact O-N 3.04Å; L220-Q223 PolarHBondContact O-N 3.08Å; L220-E224 WeakPolarHBondContact O-CB 3.39Å; L220-E224 PolarHBondContact O-N 3.2Å |
| 221 | E | 96.5 | Very high | 96.8 | Very high | 119 Ų | 119 | 105 Ų | 105 | 56% | 0.556 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.9 | -44.3 | 176.5 | -75.1 | -179.2 | 169.6 | 0 | 0 | 111.8 | V217 Q218 Q223 E224 R225 | V217-E221 HydrophobicContact CG1-CG 4.2Å; V217-E221 WeakPolarHBondContact O-CG 3.41Å; V217-E221 PolarHBondContact O-N 3.5Å; Q218-E221 PolarHBondContact O-N 3.03Å; E221-Q223 VanDerWaalsContact C-N 3.34Å; E221-Q223 PolarHBondContact O-N 3.39Å; E221-E224 PolarHBondContact O-N 3.39Å; E221-R225 WeakPolarHBondContact O-CB 3.49Å; E221-R225 PolarHBondContact O-N 3.34Å |
| 222 | E | 95.6 | Very high | 96.8 | Very high | 100 Ų | 100 | 106 Ų | 106 | 47% | 0.467 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 175.8 | -77.3 | -168.1 | -178.4 | 0 | 0 | 112.4 | Q218 L220 R225 R226 | Q218-E222 PolarHBondContact O-N 3Å; L220-E222 PolarHBondContact O-N 3.04Å; E222-R225 PolarHBondContact O-N 3.48Å; E222-R226 WeakPolarHBondContact O-CG 3.34Å; E222-R226 PolarHBondContact O-N 3.25Å; E222-R226 VanDerWaalsContact O-N 3.08Å; E222-R226 IonicContact OE2-NH2 3.7Å |
| 223 | Q | 95.7 | Very high | 96.7 | Very high | 88 Ų | 88 | 110.7 Ų | 110.7 | 41% | 0.411 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 175.6 | -177.6 | 176.9 | -8.5 | 0 | 0 | 111 | R219 L220 E221 R225 R226 H227 | R219-Q223 PolarHBondContact O-N 2.85Å; R219-Q223 VanDerWaalsContact O-N 3.17Å; L220-Q223 PolarHBondContact O-N 3.08Å; E221-Q223 VanDerWaalsContact C-N 3.34Å; E221-Q223 PolarHBondContact O-N 3.39Å; Q223-R225 VanDerWaalsContact C-N 3.34Å; Q223-R225 PolarHBondContact O-N 3.5Å; Q223-R226 PolarHBondContact O-N 2.83Å; Q223-H227 PolarHBondContact O-CD2 3.11Å; Q223-H227 PolarHBondContact O-N 2.85Å |
| 224 | E | 95.1 | Very high | 96.7 | Very high | 107 Ų | 107 | 112.9 Ų | 112.9 | 50% | 0.5 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 176.9 | -157.1 | -160 | 153.8 | 0 | 0 | 111.2 | L220 E221 R226 H227 R228 | L220-E224 WeakPolarHBondContact O-CB 3.39Å; L220-E224 PolarHBondContact O-N 3.2Å; E221-E224 PolarHBondContact O-N 3.39Å; E224-R226 PolarHBondContact O-N 3.45Å; E224-H227 PolarHBondContact O-N 2.99Å; E224-R228 VanDerWaalsContact O-CB 3.31Å; E224-R228 WeakPolarHBondContact O-CB 3.49Å; E224-R228 PolarHBondContact O-N 2.93Å; E224-R228 IonicContact OE1-CZ 3.3Å; E224-R228 IonicContact OE1-NH2 2.69Å; E224-R228 PolarHBondContact OE1-NH2 2.81Å; E224-R228 IonicContact OE2-NH2 2.7Å |
| 225 | R | 97.4 | Very high | 96.7 | Very high | 143 Ų | 143 | 113.4 Ų | 113.4 | 54% | 0.54 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.6 | -48.4 | 175.5 | -162.4 | -171.4 | 86.4 | -152.6 | -0.3 | 111.2 | E221 E222 Q223 H227 R228 E229 | E221-R225 WeakPolarHBondContact O-CB 3.49Å; E221-R225 PolarHBondContact O-N 3.34Å; E222-R225 PolarHBondContact O-N 3.48Å; Q223-R225 VanDerWaalsContact C-N 3.34Å; Q223-R225 PolarHBondContact O-N 3.5Å; R225-H227 PolarHBondContact O-N 3.42Å; R225-R228 PolarHBondContact O-N 3.49Å; R225-E229 WeakPolarHBondContact CG-OE1 3.31Å; R225-E229 IonicContact CZ-OE1 3.98Å; R225-E229 IonicContact NE-OE1 3.87Å; R225-E229 PolarHBondContact NE-OE1 3.34Å; R225-E229 WeakPolarHBondContact O-CG 3.27Å; R225-E229 PolarHBondContact O-N 2.88Å |
| 226 | R | 96.3 | Very high | 96.7 | Very high | 159 Ų | 159 | 112.7 Ų | 112.7 | 60% | 0.6 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.6 | -45.2 | 177.3 | -68.6 | 178.2 | -164.3 | 179 | 7.6 | 111.8 | E222 Q223 E224 R228 E229 E230 | E222-R226 WeakPolarHBondContact O-CG 3.34Å; E222-R226 PolarHBondContact O-N 3.25Å; E222-R226 VanDerWaalsContact O-N 3.08Å; E222-R226 IonicContact OE2-NH2 3.7Å; Q223-R226 PolarHBondContact O-N 2.83Å; E224-R226 PolarHBondContact O-N 3.45Å; R226-R228 VanDerWaalsContact C-N 3.34Å; R226-R228 PolarHBondContact O-N 3.26Å; R226-E229 PolarHBondContact O-N 3.47Å; R226-E230 PolarHBondContact O-N 3.45Å |
| 227 | H | 96.7 | Very high | 96.7 | Very high | 108 Ų | 108 | 113.4 Ų | 113.4 | 50% | 0.5 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.6 | -38.2 | 177.3 | -83.5 | -60.5 | 0 | 0 | 0 | 112.7 | Q223 E224 R225 E230 K231 | Q223-H227 PolarHBondContact O-CD2 3.11Å; Q223-H227 PolarHBondContact O-N 2.85Å; E224-H227 PolarHBondContact O-N 2.99Å; R225-H227 PolarHBondContact O-N 3.42Å; H227-E230 PolarHBondContact O-N 2.69Å; H227-K231 VanDerWaalsContact O-CB 3.27Å; H227-K231 WeakPolarHBondContact O-CB 3.41Å; H227-K231 PolarHBondContact O-N 3.48Å |
| 228 | R | 96.8 | Very high | 96.7 | Very high | 139 Ų | 139 | 116.6 Ų | 116.6 | 53% | 0.525 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.3 | -48 | 177.5 | -169.8 | 178.7 | -64.7 | 170.4 | 0.3 | 110.9 | E224 R225 R226 E230 K231 E232 | E224-R228 VanDerWaalsContact O-CB 3.31Å; E224-R228 WeakPolarHBondContact O-CB 3.49Å; E224-R228 PolarHBondContact O-N 2.93Å; E224-R228 IonicContact OE1-CZ 3.3Å; E224-R228 IonicContact OE1-NH2 2.69Å; E224-R228 PolarHBondContact OE1-NH2 2.81Å; E224-R228 IonicContact OE2-NH2 2.7Å; R225-R228 PolarHBondContact O-N 3.49Å; R226-R228 VanDerWaalsContact C-N 3.34Å; R226-R228 PolarHBondContact O-N 3.26Å; R228-E230 VanDerWaalsContact C-N 3.33Å; R228-E230 PolarHBondContact O-N 3.15Å; R228-K231 PolarHBondContact O-N 2.85Å; R228-E232 WeakPolarHBondContact O-CG 3.3Å; R228-E232 PolarHBondContact O-N 2.93Å |
| 229 | E | 97.3 | Very high | 96.7 | Very high | 74 Ų | 74 | 120 Ų | 120 | 35% | 0.346 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.2 | -43.8 | 175.3 | -71.9 | 173.5 | -152.5 | 0 | 0 | 111.4 | R225 R226 E232 R233 | R225-E229 WeakPolarHBondContact CG-OE1 3.31Å; R225-E229 IonicContact CZ-OE1 3.98Å; R225-E229 IonicContact NE-OE1 3.87Å; R225-E229 PolarHBondContact NE-OE1 3.34Å; R225-E229 WeakPolarHBondContact O-CG 3.27Å; R225-E229 PolarHBondContact O-N 2.88Å; R226-E229 PolarHBondContact O-N 3.47Å; E229-E232 PolarHBondContact O-N 3.26Å; E229-R233 VanDerWaalsContact O-CG 3.3Å; E229-R233 WeakPolarHBondContact O-CG 3.45Å; E229-R233 PolarHBondContact O-N 3.25Å |
| 230 | E | 96.1 | Very high | 96.7 | Very high | 85 Ų | 85 | 118.9 Ų | 118.9 | 40% | 0.397 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.6 | -43.1 | 176.9 | -165 | -167.5 | 164.4 | 0 | 0 | 112 | R226 H227 R228 E232 R233 R234 | R226-E230 PolarHBondContact O-N 3.45Å; H227-E230 PolarHBondContact O-N 2.69Å; R228-E230 VanDerWaalsContact C-N 3.33Å; R228-E230 PolarHBondContact O-N 3.15Å; E230-E232 VanDerWaalsContact C-N 3.35Å; E230-E232 PolarHBondContact O-N 3.06Å; E230-R233 WeakPolarHBondContact O-CB 3.37Å; E230-R233 PolarHBondContact O-N 3.06Å; E230-R234 WeakPolarHBondContact O-CG 3.24Å; E230-R234 PolarHBondContact O-N 3.49Å; E230-R234 IonicContact OE1-CZ 3.99Å; E230-R234 VanDerWaalsContact OE1-CZ 3.3Å; E230-R234 IonicContact OE1-NE 3.9Å; E230-R234 PolarHBondContact OE1-NE 2.7Å; E230-R234 VanDerWaalsContact OE1-NE 3.15Å; E230-R234 IonicContact OE1-NH2 3.03Å; E230-R234 PolarHBondContact OE1-NH2 3.47Å |
| 231 | K | 97.3 | Very high | 96.7 | Very high | 142 Ų | 142 | 118.6 Ų | 118.6 | 62% | 0.617 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.8 | -44.1 | 177.6 | -175.4 | 179.1 | 179.7 | -178.9 | 0 | 111.2 | H227 R228 R234 I235 | H227-K231 VanDerWaalsContact O-CB 3.27Å; H227-K231 WeakPolarHBondContact O-CB 3.41Å; H227-K231 PolarHBondContact O-N 3.48Å; R228-K231 PolarHBondContact O-N 2.85Å; K231-R234 PolarHBondContact O-N 2.91Å; K231-I235 HydrophobicContact CG-CD1 3.96Å; K231-I235 VanDerWaalsContact O-CG1 3.28Å; K231-I235 WeakPolarHBondContact O-CG1 3.47Å; K231-I235 PolarHBondContact O-N 3.24Å |
| 232 | E | 96.9 | Very high | 96.7 | Very high | 118 Ų | 118 | 118.1 Ų | 118.1 | 55% | 0.551 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.7 | -41.3 | 176.1 | -74.7 | -178.5 | 177.4 | 0 | 0 | 112.1 | R228 E229 E230 R234 I235 T236 | R228-E232 WeakPolarHBondContact O-CG 3.3Å; R228-E232 PolarHBondContact O-N 2.93Å; E229-E232 PolarHBondContact O-N 3.26Å; E230-E232 VanDerWaalsContact C-N 3.35Å; E230-E232 PolarHBondContact O-N 3.06Å; E232-R234 VanDerWaalsContact C-N 3.35Å; E232-R234 PolarHBondContact O-N 3.23Å; E232-I235 PolarHBondContact O-N 3.46Å; E232-T236 WeakPolarHBondContact O-CG2 3.37Å; E232-T236 PolarHBondContact O-N 2.94Å; E232-T236 PolarHBondContact O-OG1 3.4Å |
| 233 | R | 97.1 | Very high | 96.8 | Very high | 159 Ų | 159 | 118.6 Ų | 118.6 | 60% | 0.6 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.9 | -42 | 173.2 | -70.9 | 174.8 | -169.9 | -166 | 5.8 | 112 | E229 E230 T236 Q237 | E229-R233 VanDerWaalsContact O-CG 3.3Å; E229-R233 WeakPolarHBondContact O-CG 3.45Å; E229-R233 PolarHBondContact O-N 3.25Å; E230-R233 WeakPolarHBondContact O-CB 3.37Å; E230-R233 PolarHBondContact O-N 3.06Å; R233-T236 WeakPolarHBondContact CA-OG1 3.5Å; R233-T236 PolarHBondContact O-OG1 2.91Å; R233-Q237 WeakPolarHBondContact O-CB 3.28Å; R233-Q237 VanDerWaalsContact O-CG 3.24Å; R233-Q237 WeakPolarHBondContact O-CG 3.48Å; R233-Q237 PolarHBondContact O-N 3.47Å |
| 234 | R | 96.8 | Very high | 96.9 | Very high | 150 Ų | 150 | 120.7 Ų | 120.7 | 57% | 0.566 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.7 | -40.9 | 176.6 | -69.7 | -176.1 | -175.1 | -152.8 | 4.3 | 112.2 | E230 K231 E232 Q237 Q238 | E230-R234 WeakPolarHBondContact O-CG 3.24Å; E230-R234 PolarHBondContact O-N 3.49Å; E230-R234 IonicContact OE1-CZ 3.99Å; E230-R234 VanDerWaalsContact OE1-CZ 3.3Å; E230-R234 IonicContact OE1-NE 3.9Å; E230-R234 PolarHBondContact OE1-NE 2.7Å; E230-R234 VanDerWaalsContact OE1-NE 3.15Å; E230-R234 IonicContact OE1-NH2 3.03Å; E230-R234 PolarHBondContact OE1-NH2 3.47Å; K231-R234 PolarHBondContact O-N 2.91Å; E232-R234 VanDerWaalsContact C-N 3.35Å; E232-R234 PolarHBondContact O-N 3.23Å; R234-Q237 PolarHBondContact O-N 3.32Å; R234-Q238 WeakPolarHBondContact O-CB 3.31Å; R234-Q238 WeakPolarHBondContact O-CG 3.41Å; R234-Q238 PolarHBondContact O-N 2.97Å |
| 235 | I | 97.3 | Very high | 97 | Very high | 91 Ų | 91 | 121.1 Ų | 121.1 | 47% | 0.467 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 177.6 | -70.6 | 166.7 | 0 | 0 | 0 | 110.7 | K231 E232 Q238 R239 | K231-I235 HydrophobicContact CG-CD1 3.96Å; K231-I235 VanDerWaalsContact O-CG1 3.28Å; K231-I235 WeakPolarHBondContact O-CG1 3.47Å; K231-I235 PolarHBondContact O-N 3.24Å; E232-I235 PolarHBondContact O-N 3.46Å; I235-Q238 PolarHBondContact O-N 3.02Å; I235-R239 VanDerWaalsContact O-CB 3.31Å; I235-R239 WeakPolarHBondContact O-CB 3.44Å; I235-R239 PolarHBondContact O-N 3.26Å |
| 236 | T | 96.8 | Very high | 97 | Very high | 79 Ų | 79 | 119.8 Ų | 119.8 | 49% | 0.485 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.7 | -45.6 | 178.5 | 47.7 | 0 | 0 | 0 | 0 | 111.4 | E232 R233 R239 E240 | E232-T236 WeakPolarHBondContact O-CG2 3.37Å; E232-T236 PolarHBondContact O-N 2.94Å; E232-T236 PolarHBondContact O-OG1 3.4Å; R233-T236 WeakPolarHBondContact CA-OG1 3.5Å; R233-T236 PolarHBondContact O-OG1 2.91Å; T236-R239 PolarHBondContact O-N 2.92Å; T236-E240 WeakPolarHBondContact O-CG 3.46Å; T236-E240 PolarHBondContact O-N 2.9Å |
| 237 | Q | 96.3 | Very high | 97 | Very high | 123 Ų | 123 | 117 Ų | 117 | 58% | 0.575 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -58.8 | -49 | 174.2 | -72.6 | 172.4 | 6.4 | 0 | 0 | 112.5 | R233 R234 R239 E240 V241 | R233-Q237 WeakPolarHBondContact O-CB 3.28Å; R233-Q237 VanDerWaalsContact O-CG 3.24Å; R233-Q237 WeakPolarHBondContact O-CG 3.48Å; R233-Q237 PolarHBondContact O-N 3.47Å; R234-Q237 PolarHBondContact O-N 3.32Å; Q237-R239 VanDerWaalsContact C-N 3.29Å; Q237-R239 PolarHBondContact O-N 2.92Å; Q237-E240 PolarHBondContact O-N 3.1Å; Q237-V241 WeakPolarHBondContact O-CG2 3.35Å; Q237-V241 PolarHBondContact O-N 3.37Å |
| 238 | Q | 96.4 | Very high | 97 | Very high | 140 Ų | 140 | 115.3 Ų | 115.3 | 65% | 0.654 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.5 | -38.7 | 178.1 | -78.6 | -173 | -16.5 | 0 | 0 | 112.1 | R234 I235 E240 V241 L242 | R234-Q238 WeakPolarHBondContact O-CB 3.31Å; R234-Q238 WeakPolarHBondContact O-CG 3.41Å; R234-Q238 PolarHBondContact O-N 2.97Å; I235-Q238 PolarHBondContact O-N 3.02Å; Q238-E240 VanDerWaalsContact C-N 3.32Å; Q238-E240 PolarHBondContact O-N 3.39Å; Q238-V241 PolarHBondContact O-N 3.18Å; Q238-L242 WeakPolarHBondContact O-CB 3.48Å; Q238-L242 PolarHBondContact O-N 3.35Å |
| 239 | R | 97.1 | Very high | 97.1 | Very high | 174 Ų | 174 | 111.2 Ų | 111.2 | 66% | 0.657 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.8 | -38.3 | 176.7 | -169.8 | 176.1 | -174.7 | 176.7 | 1.1 | 111.9 | I235 T236 Q237 K243 | I235-R239 VanDerWaalsContact O-CB 3.31Å; I235-R239 WeakPolarHBondContact O-CB 3.44Å; I235-R239 PolarHBondContact O-N 3.26Å; T236-R239 PolarHBondContact O-N 2.92Å; Q237-R239 VanDerWaalsContact C-N 3.29Å; Q237-R239 PolarHBondContact O-N 2.92Å; R239-K243 WeakPolarHBondContact O-CG 3.43Å; R239-K243 PolarHBondContact O-N 3.04Å; R239-K243 VanDerWaalsContact O-N 3.08Å |
| 240 | E | 97.3 | Very high | 97 | Very high | 116 Ų | 116 | 112.4 Ų | 112.4 | 54% | 0.542 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68 | -41.6 | 174.6 | -71.7 | -178.6 | -178.4 | 0 | 0 | 112.5 | T236 Q237 Q238 K243 K244 | T236-E240 WeakPolarHBondContact O-CG 3.46Å; T236-E240 PolarHBondContact O-N 2.9Å; Q237-E240 PolarHBondContact O-N 3.1Å; Q238-E240 VanDerWaalsContact C-N 3.32Å; Q238-E240 PolarHBondContact O-N 3.39Å; E240-K243 PolarHBondContact O-N 3.46Å; E240-K244 WeakPolarHBondContact O-CG 3.41Å; E240-K244 PolarHBondContact O-N 3.5Å |
| 241 | V | 97.4 | Very high | 97.1 | Very high | 77 Ų | 77 | 114.9 Ų | 114.9 | 47% | 0.467 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.5 | -49.7 | 175 | 172.3 | 0 | 0 | 0 | 0 | 110.1 | Q237 Q238 K243 K244 E245 | Q237-V241 WeakPolarHBondContact O-CG2 3.35Å; Q237-V241 PolarHBondContact O-N 3.37Å; Q238-V241 PolarHBondContact O-N 3.18Å; V241-K243 VanDerWaalsContact C-N 3.32Å; V241-K243 PolarHBondContact O-N 2.91Å; V241-K244 WeakPolarHBondContact O-CB 3.44Å; V241-K244 PolarHBondContact O-N 2.97Å; V241-K244 VanDerWaalsContact O-N 3.1Å; V241-E245 HydrophobicContact CG1-CG 4.34Å; V241-E245 WeakPolarHBondContact O-CG 3.42Å; V241-E245 PolarHBondContact O-N 3.08Å |
| 242 | L | 97.7 | Very high | 97.1 | Very high | 108 Ų | 108 | 113.7 Ų | 113.7 | 57% | 0.565 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.3 | -38.2 | -179.7 | -172 | 144.7 | 0 | 0 | 0 | 112.4 | Q238 E245 M246 | Q238-L242 WeakPolarHBondContact O-CB 3.48Å; Q238-L242 PolarHBondContact O-N 3.35Å; L242-E245 PolarHBondContact O-N 2.82Å; L242-M246 PolarHBondContact O-N 3.2Å |
| 243 | K | 97.4 | Very high | 97.1 | Very high | 111 Ų | 111 | 110.8 Ų | 110.8 | 48% | 0.483 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.6 | -47.2 | 172.6 | -78.8 | 179.8 | 178.6 | -174.2 | 0 | 111.7 | R239 E240 V241 E245 M246 E247 | R239-K243 WeakPolarHBondContact O-CG 3.43Å; R239-K243 PolarHBondContact O-N 3.04Å; R239-K243 VanDerWaalsContact O-N 3.08Å; E240-K243 PolarHBondContact O-N 3.46Å; V241-K243 VanDerWaalsContact C-N 3.32Å; V241-K243 PolarHBondContact O-N 2.91Å; K243-E245 VanDerWaalsContact C-N 3.34Å; K243-E245 PolarHBondContact O-N 2.84Å; K243-M246 PolarHBondContact O-N 3.31Å; K243-E247 WeakPolarHBondContact O-CG 3.42Å; K243-E247 PolarHBondContact O-N 3.32Å |
| 244 | K | 97 | Very high | 97 | Very high | 131 Ų | 131 | 106.1 Ų | 106.1 | 57% | 0.57 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.9 | -41.7 | 177.8 | -71.8 | 175.3 | -178.7 | 172.3 | 0 | 111.3 | E240 V241 E247 T248 | E240-K244 WeakPolarHBondContact O-CG 3.41Å; E240-K244 PolarHBondContact O-N 3.5Å; V241-K244 WeakPolarHBondContact O-CB 3.44Å; V241-K244 PolarHBondContact O-N 2.97Å; V241-K244 VanDerWaalsContact O-N 3.1Å; K244-E247 PolarHBondContact O-N 2.73Å; K244-T248 VanDerWaalsContact O-CG2 3.27Å; K244-T248 WeakPolarHBondContact O-CG2 3.48Å; K244-T248 PolarHBondContact O-N 3.34Å; K244-T248 PolarHBondContact O-OG1 3.49Å |
| 245 | E | 97.2 | Very high | 97 | Very high | 116 Ų | 116 | 107.1 Ų | 107.1 | 54% | 0.542 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.7 | -47.7 | 175.5 | -75 | 179.4 | 171.1 | 0 | 0 | 111.2 | V241 L242 K243 E247 T248 A249 | V241-E245 HydrophobicContact CG1-CG 4.34Å; V241-E245 WeakPolarHBondContact O-CG 3.42Å; V241-E245 PolarHBondContact O-N 3.08Å; L242-E245 PolarHBondContact O-N 2.82Å; K243-E245 VanDerWaalsContact C-N 3.34Å; K243-E245 PolarHBondContact O-N 2.84Å; E245-E247 PolarHBondContact O-N 3.14Å; E245-T248 WeakPolarHBondContact CA-OG1 3.47Å; E245-T248 PolarHBondContact O-N 2.92Å; E245-T248 PolarHBondContact O-OG1 3.34Å; E245-A249 WeakPolarHBondContact O-CB 3.46Å; E245-A249 PolarHBondContact O-N 2.97Å |
| 246 | M | 97.1 | Very high | 97 | Very high | 116 Ų | 116 | 104.5 Ų | 104.5 | 57% | 0.571 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.5 | -48.2 | 176.5 | -165.5 | 176.2 | 84.3 | 0 | 0 | 111.7 | L242 K243 T248 A249 D250 | L242-M246 PolarHBondContact O-N 3.2Å; K243-M246 PolarHBondContact O-N 3.31Å; M246-T248 VanDerWaalsContact C-N 3.3Å; M246-T248 PolarHBondContact O-N 3.21Å; M246-A249 PolarHBondContact O-N 3.4Å; M246-D250 PolarHBondContact O-N 3.23Å |
| 247 | E | 97.4 | Very high | 97 | Very high | 100 Ų | 100 | 107.9 Ų | 107.9 | 47% | 0.467 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.2 | -39.4 | 176.2 | -72.1 | 175.9 | -162.9 | 0 | 0 | 112.6 | K243 K244 E245 K251 | K243-E247 WeakPolarHBondContact O-CG 3.42Å; K243-E247 PolarHBondContact O-N 3.32Å; K244-E247 PolarHBondContact O-N 2.73Å; E245-E247 PolarHBondContact O-N 3.14Å; E247-K251 WeakPolarHBondContact O-CB 3.22Å; E247-K251 WeakPolarHBondContact O-CD 3.28Å; E247-K251 WeakPolarHBondContact O-CG 3.45Å; E247-K251 PolarHBondContact O-N 3.05Å |
| 248 | T | 97.1 | Very high | 96.9 | Very high | 72 Ų | 72 | 104 Ų | 104 | 44% | 0.442 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.2 | -39.8 | 177 | 56.6 | 0 | 0 | 0 | 0 | 111.8 | K244 E245 M246 K251 I252 | K244-T248 VanDerWaalsContact O-CG2 3.27Å; K244-T248 WeakPolarHBondContact O-CG2 3.48Å; K244-T248 PolarHBondContact O-N 3.34Å; K244-T248 PolarHBondContact O-OG1 3.49Å; E245-T248 WeakPolarHBondContact CA-OG1 3.47Å; E245-T248 PolarHBondContact O-N 2.92Å; E245-T248 PolarHBondContact O-OG1 3.34Å; M246-T248 VanDerWaalsContact C-N 3.3Å; M246-T248 PolarHBondContact O-N 3.21Å; T248-K251 PolarHBondContact O-N 2.86Å; T248-I252 WeakPolarHBondContact O-CB 3.35Å; T248-I252 WeakPolarHBondContact O-CD1 3.21Å; T248-I252 WeakPolarHBondContact O-CG1 3.27Å; T248-I252 PolarHBondContact O-N 3.35Å |
| 249 | A | 97.4 | Very high | 96.8 | Very high | 53 Ų | 53 | 102.4 Ų | 102.4 | 44% | 0.438 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | E245 M246 K251 I252 A253 | E245-A249 WeakPolarHBondContact O-CB 3.46Å; E245-A249 PolarHBondContact O-N 2.97Å; M246-A249 PolarHBondContact O-N 3.4Å; A249-K251 PolarHBondContact O-N 3.47Å; A249-I252 PolarHBondContact O-N 3.35Å; A249-A253 WeakPolarHBondContact O-CB 3.38Å; A249-A253 PolarHBondContact O-N 2.85Å |
| 250 | D | 96.8 | Very high | 96.7 | Very high | 100 Ų | 100 | 100.5 Ų | 100.5 | 54% | 0.535 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 176.4 | -71.5 | -16.9 | 0 | 0 | 0 | 111.8 | M246 I252 A253 A254 | M246-D250 PolarHBondContact O-N 3.23Å; D250-I252 PolarHBondContact O-N 2.92Å; D250-A253 PolarHBondContact O-N 3.48Å; D250-A254 VanDerWaalsContact O-CB 3.28Å; D250-A254 WeakPolarHBondContact O-CB 3.29Å; D250-A254 PolarHBondContact O-N 2.96Å |
| 251 | K | 97.2 | Very high | 96.5 | Very high | 137 Ų | 137 | 101.3 Ų | 101.3 | 60% | 0.596 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.4 | -41.8 | 175.4 | -74.9 | 167.9 | -173.9 | 166.1 | 0 | 112 | E247 T248 A249 R255 | E247-K251 WeakPolarHBondContact O-CB 3.22Å; E247-K251 WeakPolarHBondContact O-CD 3.28Å; E247-K251 WeakPolarHBondContact O-CG 3.45Å; E247-K251 PolarHBondContact O-N 3.05Å; T248-K251 PolarHBondContact O-N 2.86Å; A249-K251 PolarHBondContact O-N 3.47Å; K251-R255 VanDerWaalsContact O-CB 3.29Å; K251-R255 WeakPolarHBondContact O-CB 3.33Å; K251-R255 PolarHBondContact O-N 2.82Å |
| 252 | I | 96.8 | Very high | 96.3 | Very high | 116 Ų | 116 | 101.9 Ų | 101.9 | 60% | 0.595 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.2 | -44.6 | 177.2 | -68.7 | 164.3 | 0 | 0 | 0 | 110.1 | T248 A249 D250 R255 A256 | T248-I252 WeakPolarHBondContact O-CB 3.35Å; T248-I252 WeakPolarHBondContact O-CD1 3.21Å; T248-I252 WeakPolarHBondContact O-CG1 3.27Å; T248-I252 PolarHBondContact O-N 3.35Å; A249-I252 PolarHBondContact O-N 3.35Å; D250-I252 PolarHBondContact O-N 2.92Å; I252-R255 PolarHBondContact O-N 3.47Å; I252-A256 WeakPolarHBondContact O-CB 3.36Å; I252-A256 PolarHBondContact O-N 2.82Å |
| 253 | A | 96.8 | Very high | 96 | Very high | 58 Ų | 58 | 99.5 Ų | 99.5 | 48% | 0.479 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.3 | -46.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A249 D250 R255 A256 F257 | A249-A253 WeakPolarHBondContact O-CB 3.38Å; A249-A253 PolarHBondContact O-N 2.85Å; D250-A253 PolarHBondContact O-N 3.48Å; A253-R255 PolarHBondContact O-N 2.89Å; A253-A256 PolarHBondContact O-N 3.38Å; A253-F257 VanDerWaalsContact O-CB 3.31Å; A253-F257 WeakPolarHBondContact O-CB 3.35Å; A253-F257 PolarHBondContact O-N 3.36Å |
| 254 | A | 96.8 | Very high | 95.7 | Very high | 60 Ų | 60 | 100.2 Ų | 100.2 | 50% | 0.496 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D250 F257 A258 | D250-A254 VanDerWaalsContact O-CB 3.28Å; D250-A254 WeakPolarHBondContact O-CB 3.29Å; D250-A254 PolarHBondContact O-N 2.96Å; A254-F257 PolarHBondContact O-N 3.46Å; A254-A258 WeakPolarHBondContact O-CB 3.47Å; A254-A258 PolarHBondContact O-N 3.35Å |
| 255 | R | 96.6 | Very high | 95.5 | Very high | 171 Ų | 171 | 97 Ų | 97 | 65% | 0.645 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.7 | -47.9 | 174.6 | 177.7 | -178.1 | 171.6 | 177.7 | 0.2 | 111.4 | K251 I252 A253 F257 A258 Q259 | K251-R255 VanDerWaalsContact O-CB 3.29Å; K251-R255 WeakPolarHBondContact O-CB 3.33Å; K251-R255 PolarHBondContact O-N 2.82Å; I252-R255 PolarHBondContact O-N 3.47Å; A253-R255 PolarHBondContact O-N 2.89Å; R255-F257 VanDerWaalsContact C-N 3.32Å; R255-F257 PolarHBondContact O-N 3.35Å; R255-A258 PolarHBondContact O-N 2.92Å; R255-Q259 WeakPolarHBondContact O-CB 3.31Å; R255-Q259 WeakPolarHBondContact O-CG 3.23Å; R255-Q259 PolarHBondContact O-N 3.49Å |
| 256 | A | 96.9 | Very high | 95.2 | Very high | 36 Ų | 36 | 95.9 Ų | 95.9 | 30% | 0.298 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62 | -42.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | I252 A253 Q259 H260 | I252-A256 WeakPolarHBondContact O-CB 3.36Å; I252-A256 PolarHBondContact O-N 2.82Å; A253-A256 PolarHBondContact O-N 3.38Å; A256-Q259 PolarHBondContact O-N 2.83Å; A256-H260 PolarHBondContact O-N 3.01Å; A256-H260 PolarHBondContact O-ND1 2.79Å |
| 257 | F | 95.9 | Very high | 95 | Very high | 150 Ų | 150 | 93.8 Ų | 93.8 | 66% | 0.658 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.4 | -49.4 | 175.1 | 178.4 | -98.1 | 0 | 0 | 0 | 111.8 | A253 A254 R255 Q259 H260 Y261 | A253-F257 VanDerWaalsContact O-CB 3.31Å; A253-F257 WeakPolarHBondContact O-CB 3.35Å; A253-F257 PolarHBondContact O-N 3.36Å; A254-F257 PolarHBondContact O-N 3.46Å; R255-F257 VanDerWaalsContact C-N 3.32Å; R255-F257 PolarHBondContact O-N 3.35Å; F257-Q259 VanDerWaalsContact C-N 3.31Å; F257-Q259 PolarHBondContact O-N 3.29Å; F257-H260 PolarHBondContact O-N 2.95Å; F257-Y261 VanDerWaalsContact O-CB 3.32Å; F257-Y261 WeakPolarHBondContact O-CB 3.33Å; F257-Y261 PolarHBondContact O-N 3.45Å |
| 258 | A | 95.7 | Very high | 94.7 | Very high | 43 Ų | 43 | 92.1 Ų | 92.1 | 36% | 0.355 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.9 | -39.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | A254 R255 L262 | A254-A258 WeakPolarHBondContact O-CB 3.47Å; A254-A258 PolarHBondContact O-N 3.35Å; R255-A258 PolarHBondContact O-N 2.92Å; A258-L262 VanDerWaalsContact O-CB 3.23Å; A258-L262 WeakPolarHBondContact O-CB 3.25Å; A258-L262 WeakPolarHBondContact O-CG 3.32Å; A258-L262 PolarHBondContact O-N 2.87Å |
| 259 | Q | 94.4 | Very high | 94.4 | Very high | 106 Ų | 106 | 92 Ų | 92 | 50% | 0.495 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.2 | -47.3 | 176.3 | -76.8 | -179.9 | -22.5 | 0 | 0 | 112.3 | R255 A256 F257 A263 | R255-Q259 WeakPolarHBondContact O-CB 3.31Å; R255-Q259 WeakPolarHBondContact O-CG 3.23Å; R255-Q259 PolarHBondContact O-N 3.49Å; A256-Q259 PolarHBondContact O-N 2.83Å; F257-Q259 VanDerWaalsContact C-N 3.31Å; F257-Q259 PolarHBondContact O-N 3.29Å; Q259-A263 VanDerWaalsContact O-CB 3.25Å; Q259-A263 WeakPolarHBondContact O-CB 3.18Å; Q259-A263 PolarHBondContact O-N 3.23Å |
| 260 | H | 93.4 | Very high | 94 | Very high | 134 Ų | 134 | 96 Ų | 96 | 62% | 0.62 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.7 | -46.2 | 176.7 | -74 | 84.5 | 0 | 0 | 0 | 111.1 | A256 F257 L262 A263 D264 | A256-H260 PolarHBondContact O-N 3.01Å; A256-H260 PolarHBondContact O-ND1 2.79Å; F257-H260 PolarHBondContact O-N 2.95Å; H260-L262 PolarHBondContact O-N 2.86Å; H260-A263 PolarHBondContact O-N 3.3Å; H260-D264 PolarHBondContact O-N 3.25Å |
| 261 | Y | 93.6 | Very high | 93.6 | Very high | 133 Ų | 133 | 94.7 Ų | 94.7 | 52% | 0.522 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 179.4 | -174.5 | -102.8 | 0 | 0 | 0 | 112.6 | F257 D264 L265 | F257-Y261 VanDerWaalsContact O-CB 3.32Å; F257-Y261 WeakPolarHBondContact O-CB 3.33Å; F257-Y261 PolarHBondContact O-N 3.45Å; Y261-D264 PolarHBondContact O-N 2.86Å; Y261-L265 HydrophobicContact CD1-CD2 4.41Å; Y261-L265 HydrophobicContact CE1-CB 4.47Å; Y261-L265 HydrophobicContact CE1-CD2 3.75Å; Y261-L265 WeakPolarHBondContact O-CB 3.15Å; Y261-L265 PolarHBondContact O-N 2.99Å |
| 262 | L | 92.4 | Very high | 93.3 | Very high | 88 Ų | 88 | 90.8 Ų | 90.8 | 46% | 0.461 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.4 | -34.9 | 177.1 | -72.3 | 171.4 | 0 | 0 | 0 | 112.4 | A258 H260 D264 L266 | A258-L262 VanDerWaalsContact O-CB 3.23Å; A258-L262 WeakPolarHBondContact O-CB 3.25Å; A258-L262 WeakPolarHBondContact O-CG 3.32Å; A258-L262 PolarHBondContact O-N 2.87Å; H260-L262 PolarHBondContact O-N 2.86Å; L262-D264 VanDerWaalsContact C-N 3.26Å; L262-D264 PolarHBondContact O-N 3.26Å; L262-L266 VanDerWaalsContact O-CB 3.32Å; L262-L266 WeakPolarHBondContact O-CB 2.92Å; L262-L266 VanDerWaalsContact O-CG 3.28Å; L262-L266 WeakPolarHBondContact O-CG 3.45Å; L262-L266 PolarHBondContact O-N 2.89Å |
| 263 | A | 93.1 | Very high | 92.9 | Very high | 59 Ų | 59 | 88 Ų | 88 | 49% | 0.488 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.9 | -35.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q259 H260 P267 | Q259-A263 VanDerWaalsContact O-CB 3.25Å; Q259-A263 WeakPolarHBondContact O-CB 3.18Å; Q259-A263 PolarHBondContact O-N 3.23Å; H260-A263 PolarHBondContact O-N 3.3Å; A263-P267 WeakPolarHBondContact O-CD 3.24Å; A263-P267 VanDerWaalsContact O-CG 3.24Å; A263-P267 WeakPolarHBondContact O-CG 3.18Å |
| 264 | D | 90.1 | Very high | 92.4 | Very high | 125 Ų | 125 | 94.3 Ų | 94.3 | 67% | 0.668 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -87.7 | -37.9 | 178.1 | -65.3 | -20.5 | 0 | 0 | 0 | 112.4 | H260 Y261 L262 S268 | H260-D264 PolarHBondContact O-N 3.25Å; Y261-D264 PolarHBondContact O-N 2.86Å; L262-D264 VanDerWaalsContact C-N 3.26Å; L262-D264 PolarHBondContact O-N 3.26Å; D264-S268 PolarHBondContact O-N 3.32Å |
| 265 | L | 93 | Very high | 91.8 | Very high | 65 Ų | 65 | 98.9 Ų | 98.9 | 34% | 0.34 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.8 | -43.3 | -178.9 | -177.2 | 69 | 0 | 0 | 0 | 112.1 | Y261 S268 V269 | Y261-L265 HydrophobicContact CD1-CD2 4.41Å; Y261-L265 HydrophobicContact CE1-CB 4.47Å; Y261-L265 HydrophobicContact CE1-CD2 3.75Å; Y261-L265 WeakPolarHBondContact O-CB 3.15Å; Y261-L265 PolarHBondContact O-N 2.99Å; L265-S268 PolarHBondContact O-N 2.86Å; L265-V269 HydrophobicContact CD1-CG2 3.79Å; L265-V269 HydrophobicContact CG-CG2 3.96Å; L265-V269 WeakPolarHBondContact O-CG2 3.36Å; L265-V269 PolarHBondContact O-N 3.26Å |
| 266 | L | 91.2 | Very high | 91.3 | Very high | 91 Ų | 91 | 97.8 Ų | 97.8 | 48% | 0.476 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.5 | -55.1 | -176.3 | -75 | 173.5 | 0 | 0 | 0 | 111.4 | L262 S268 V269 Y270 | L262-L266 VanDerWaalsContact O-CB 3.32Å; L262-L266 WeakPolarHBondContact O-CB 2.92Å; L262-L266 VanDerWaalsContact O-CG 3.28Å; L262-L266 WeakPolarHBondContact O-CG 3.45Å; L262-L266 PolarHBondContact O-N 2.89Å; L266-S268 VanDerWaalsContact C-N 3.3Å; L266-S268 PolarHBondContact O-N 3.44Å; L266-V269 PolarHBondContact O-N 3.4Å; L266-Y270 HydrophobicContact CB-CD2 4.42Å; L266-Y270 HydrophobicContact CD2-CE2 4.27Å; L266-Y270 WeakPolarHBondContact O-CB 3.28Å; L266-Y270 WeakPolarHBondContact O-CD2 3.41Å; L266-Y270 PolarHBondContact O-N 3.42Å |
| 267 | P | 92.5 | Very high | 90.4 | Very high | 73 Ų | 73 | 98.4 Ų | 98.4 | 47% | 0.474 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -55.6 | -43.2 | 176.1 | -25 | 34.6 | 0 | 0 | 0 | 112.8 | A263 Y270 T271 | A263-P267 WeakPolarHBondContact O-CD 3.24Å; A263-P267 VanDerWaalsContact O-CG 3.24Å; A263-P267 WeakPolarHBondContact O-CG 3.18Å; P267-Y270 PolarHBondContact O-N 2.95Å; P267-T271 VanDerWaalsContact O-CG2 3.32Å; P267-T271 WeakPolarHBondContact O-CG2 3.32Å; P267-T271 PolarHBondContact O-N 3.29Å; P267-T271 PolarHBondContact O-OG1 3Å; P267-T271 VanDerWaalsContact O-OG1 3.13Å |
| 268 | S | 91.4 | Very high | 89.6 | Confident | 64 Ų | 64 | 99.5 Ų | 99.5 | 45% | 0.448 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | 179.8 | -177.9 | 0 | 0 | 0 | 0 | 112.9 | D264 L265 L266 T271 T272 | D264-S268 PolarHBondContact O-N 3.32Å; L265-S268 PolarHBondContact O-N 2.86Å; L266-S268 VanDerWaalsContact C-N 3.3Å; L266-S268 PolarHBondContact O-N 3.44Å; S268-T271 WeakPolarHBondContact CA-OG1 3.28Å; S268-T271 PolarHBondContact O-OG1 2.96Å; S268-T272 WeakPolarHBondContact O-CB 3.47Å; S268-T272 VanDerWaalsContact O-CG2 3.3Å; S268-T272 WeakPolarHBondContact O-CG2 3.44Å; S268-T272 PolarHBondContact O-N 3.5Å; S268-T272 PolarHBondContact O-OG1 2.82Å |
| 269 | V | 91.3 | Very high | 88.8 | Confident | 69 Ų | 69 | 102.3 Ų | 102.3 | 42% | 0.418 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.9 | -40.8 | 175.2 | 175 | 0 | 0 | 0 | 0 | 110.7 | L265 L266 T271 T272 L273 | L265-V269 HydrophobicContact CD1-CG2 3.79Å; L265-V269 HydrophobicContact CG-CG2 3.96Å; L265-V269 WeakPolarHBondContact O-CG2 3.36Å; L265-V269 PolarHBondContact O-N 3.26Å; L266-V269 PolarHBondContact O-N 3.4Å; V269-T271 PolarHBondContact O-N 3.5Å; V269-T272 WeakPolarHBondContact CA-OG1 3.15Å; V269-T272 PolarHBondContact O-N 2.89Å; V269-T272 PolarHBondContact O-OG1 2.92Å; V269-L273 WeakPolarHBondContact O-CB 3.47Å; V269-L273 PolarHBondContact O-N 3.16Å |
| 270 | Y | 88 | Confident | 87.9 | Confident | 137 Ų | 137 | 104.9 Ų | 104.9 | 54% | 0.537 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 175.8 | -86.9 | -73.7 | 0 | 0 | 0 | 112.3 | L266 P267 R274 F279 | L266-Y270 HydrophobicContact CB-CD2 4.42Å; L266-Y270 HydrophobicContact CD2-CE2 4.27Å; L266-Y270 WeakPolarHBondContact O-CB 3.28Å; L266-Y270 WeakPolarHBondContact O-CD2 3.41Å; L266-Y270 PolarHBondContact O-N 3.42Å; P267-Y270 PolarHBondContact O-N 2.95Å; Y270-R274 WeakPolarHBondContact O-CB 3.32Å; Y270-R274 PolarHBondContact O-N 2.82Å; Y270-F279 AromaticContact CD1-CE2 3.59Å; Y270-F279 HydrophobicContact CD1-CE2 3.59Å; Y270-F279 AromaticContact CD1-CZ 3.51Å; Y270-F279 HydrophobicContact CD1-CZ 3.51Å; Y270-F279 HydrophobicContact CE1-CE1 4.33Å; Y270-F279 HydrophobicContact CE1-CE2 4.15Å; Y270-F279 AromaticContact CE1-CZ 3.56Å; Y270-F279 HydrophobicContact CE1-CZ 3.56Å |
| 271 | T | 88.6 | Confident | 87.4 | Confident | 73 Ų | 73 | 102.6 Ų | 102.6 | 45% | 0.448 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.7 | -47.5 | 176.9 | 53.7 | 0 | 0 | 0 | 0 | 111.2 | P267 S268 V269 L273 R274 E275 | P267-T271 VanDerWaalsContact O-CG2 3.32Å; P267-T271 WeakPolarHBondContact O-CG2 3.32Å; P267-T271 PolarHBondContact O-N 3.29Å; P267-T271 PolarHBondContact O-OG1 3Å; P267-T271 VanDerWaalsContact O-OG1 3.13Å; S268-T271 WeakPolarHBondContact CA-OG1 3.28Å; S268-T271 PolarHBondContact O-OG1 2.96Å; V269-T271 PolarHBondContact O-N 3.5Å; T271-L273 PolarHBondContact O-N 2.95Å; T271-R274 PolarHBondContact O-N 3.31Å; T271-E275 WeakPolarHBondContact O-CB 3.19Å; T271-E275 VanDerWaalsContact O-CG 3.31Å; T271-E275 WeakPolarHBondContact O-CG 3.46Å; T271-E275 PolarHBondContact O-N 3.17Å |
| 272 | T | 90.8 | Very high | 86.8 | Confident | 55 Ų | 55 | 100.6 Ų | 100.6 | 34% | 0.337 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 177.7 | 49.6 | 0 | 0 | 0 | 0 | 112 | S268 V269 R274 E275 H276 | S268-T272 WeakPolarHBondContact O-CB 3.47Å; S268-T272 VanDerWaalsContact O-CG2 3.3Å; S268-T272 WeakPolarHBondContact O-CG2 3.44Å; S268-T272 PolarHBondContact O-N 3.5Å; S268-T272 PolarHBondContact O-OG1 2.82Å; V269-T272 WeakPolarHBondContact CA-OG1 3.15Å; V269-T272 PolarHBondContact O-N 2.89Å; V269-T272 PolarHBondContact O-OG1 2.92Å; T272-R274 VanDerWaalsContact C-N 3.32Å; T272-R274 PolarHBondContact O-N 2.99Å; T272-E275 PolarHBondContact O-N 2.92Å; T272-H276 WeakPolarHBondContact O-CB 3.3Å; T272-H276 PolarHBondContact O-CD2 2.69Å; T272-H276 PolarHBondContact O-N 3.13Å |
| 273 | L | 88.8 | Confident | 86.4 | Confident | 59 Ų | 59 | 100.8 Ų | 100.8 | 31% | 0.309 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.9 | -30.1 | 178.6 | -163.1 | 65.8 | 0 | 0 | 0 | 112.1 | V269 T271 G277 Y278 F279 | V269-L273 WeakPolarHBondContact O-CB 3.47Å; V269-L273 PolarHBondContact O-N 3.16Å; T271-L273 PolarHBondContact O-N 2.95Å; L273-G277 PolarHBondContact O-N 3.5Å; L273-Y278 HydrophobicContact CD1-CD1 4.39Å; L273-Y278 HydrophobicContact CD1-CD2 3.77Å; L273-Y278 HydrophobicContact CD1-CG 3.66Å; L273-Y278 HydrophobicContact CG-CG 4.26Å; L273-Y278 WeakPolarHBondContact O-CB 3.32Å; L273-Y278 PolarHBondContact O-N 2.99Å; L273-Y278 VanDerWaalsContact O-N 3.08Å; L273-F279 HydrophobicContact CB-CD2 4.24Å; L273-F279 HydrophobicContact CB-CE2 3.74Å; L273-F279 HydrophobicContact CD2-CE1 4.47Å; L273-F279 HydrophobicContact CD2-CE2 3.68Å; L273-F279 HydrophobicContact CD2-CZ 3.64Å; L273-F279 HydrophobicContact CG-CD2 4.28Å; L273-F279 HydrophobicContact CG-CE2 3.83Å; L273-F279 HydrophobicContact CG-CZ 4.29Å |
| 274 | R | 85.2 | Confident | 85.9 | Confident | 190 Ų | 190 | 103.5 Ų | 103.5 | 72% | 0.717 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -70.5 | -43.5 | 170.6 | -172.2 | 176.9 | -174.2 | -175.7 | 1.6 | 112 | Y270 T271 T272 H276 G277 F279 | Y270-R274 WeakPolarHBondContact O-CB 3.32Å; Y270-R274 PolarHBondContact O-N 2.82Å; T271-R274 PolarHBondContact O-N 3.31Å; T272-R274 VanDerWaalsContact C-N 3.32Å; T272-R274 PolarHBondContact O-N 2.99Å; R274-H276 VanDerWaalsContact C-N 3.32Å; R274-H276 PolarHBondContact O-N 3.33Å; R274-G277 PolarHBondContact O-N 2.88Å; R274-F279 HydrophobicContact CB-CD2 4.06Å |
| 275 | E | 85.1 | Confident | 85.5 | Confident | 155 Ų | 155 | 103.7 Ų | 103.7 | 72% | 0.724 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.9 | -37.6 | 176 | -75.5 | 171.6 | -168.9 | 0 | 0 | 111.9 | T271 T272 G277 | T271-E275 WeakPolarHBondContact O-CB 3.19Å; T271-E275 VanDerWaalsContact O-CG 3.31Å; T271-E275 WeakPolarHBondContact O-CG 3.46Å; T271-E275 PolarHBondContact O-N 3.17Å; T272-E275 PolarHBondContact O-N 2.92Å; E275-G277 PolarHBondContact O-N 3.44Å |
| 276 | H | 85.1 | Confident | 85.2 | Confident | 148 Ų | 148 | 105.9 Ų | 105.9 | 69% | 0.685 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | 3.5 | 173.7 | -70.6 | -55.3 | 0 | 0 | 0 | 114 | T272 R274 Y278 | T272-H276 WeakPolarHBondContact O-CB 3.3Å; T272-H276 PolarHBondContact O-CD2 2.69Å; T272-H276 PolarHBondContact O-N 3.13Å; R274-H276 VanDerWaalsContact C-N 3.32Å; R274-H276 PolarHBondContact O-N 3.33Å; H276-Y278 VanDerWaalsContact C-N 3.29Å; H276-Y278 PolarHBondContact O-N 3.43Å |
| 277 | G | 78.3 | Confident | 84.9 | Confident | 49 Ų | 49 | 105.4 Ų | 105.4 | 51% | 0.505 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 16.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115 | L273 R274 E275 F279 | L273-G277 PolarHBondContact O-N 3.5Å; R274-G277 PolarHBondContact O-N 2.88Å; E275-G277 PolarHBondContact O-N 3.44Å; G277-F279 VanDerWaalsContact C-N 3.35Å |
| 278 | Y | 80.3 | Confident | 84.5 | Confident | 173 Ų | 173 | 106.4 Ų | 106.4 | 68% | 0.678 | 52% | 0.522 | S | S | * | . | trans | -73 | -29.8 | 176.6 | -104.4 | -88.4 | 0 | 0 | 0 | 112.3 | L273 H276 Y280 | L273-Y278 HydrophobicContact CD1-CD1 4.39Å; L273-Y278 HydrophobicContact CD1-CD2 3.77Å; L273-Y278 HydrophobicContact CD1-CG 3.66Å; L273-Y278 HydrophobicContact CG-CG 4.26Å; L273-Y278 WeakPolarHBondContact O-CB 3.32Å; L273-Y278 PolarHBondContact O-N 2.99Å; L273-Y278 VanDerWaalsContact O-N 3.08Å; H276-Y278 VanDerWaalsContact C-N 3.29Å; H276-Y278 PolarHBondContact O-N 3.43Å; Y278-Y280 WeakPolarHBondContact O-CD1 3.26Å | ||
| 279 | F | 77.9 | Confident | 84.3 | Confident | 102 Ų | 102 | 106.8 Ų | 106.8 | 45% | 0.447 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -90.7 | 105.1 | 168.6 | -62.4 | -64.2 | 0 | 0 | 0 | 109.3 | Y270 L273 R274 G277 | Y270-F279 AromaticContact CD1-CE2 3.59Å; Y270-F279 HydrophobicContact CD1-CE2 3.59Å; Y270-F279 AromaticContact CD1-CZ 3.51Å; Y270-F279 HydrophobicContact CD1-CZ 3.51Å; Y270-F279 HydrophobicContact CE1-CE1 4.33Å; Y270-F279 HydrophobicContact CE1-CE2 4.15Å; Y270-F279 AromaticContact CE1-CZ 3.56Å; Y270-F279 HydrophobicContact CE1-CZ 3.56Å; L273-F279 HydrophobicContact CB-CD2 4.24Å; L273-F279 HydrophobicContact CB-CE2 3.74Å; L273-F279 HydrophobicContact CD2-CE1 4.47Å; L273-F279 HydrophobicContact CD2-CE2 3.68Å; L273-F279 HydrophobicContact CD2-CZ 3.64Å; L273-F279 HydrophobicContact CG-CD2 4.28Å; L273-F279 HydrophobicContact CG-CE2 3.83Å; L273-F279 HydrophobicContact CG-CZ 4.29Å; R274-F279 HydrophobicContact CB-CD2 4.06Å; G277-F279 VanDerWaalsContact C-N 3.35Å |
| 280 | Y | 76.7 | Confident | 84.1 | Confident | 160 Ų | 160 | 105 Ų | 105 | 63% | 0.627 | 52% | 0.518 | S | S | * | . | trans | -105.9 | 150 | 173.6 | 48.5 | -88.7 | 0 | 0 | 0 | 110.3 | Y278 P282 R285 | Y278-Y280 WeakPolarHBondContact O-CD1 3.26Å; Y280-P282 WeakPolarHBondContact O-CD 3.47Å; Y280-R285 HydrophobicContact CD2-CB 3.97Å; Y280-R285 HydrophobicContact CD2-CG 4.26Å | ||
| 281 | D | 82.2 | Confident | 84.2 | Confident | 87 Ų | 87 | 103.5 Ų | 103.5 | 47% | 0.465 | 52% | 0.515 | S | S | . | . | trans | -72.5 | 120.3 | 167.3 | -172 | -25.1 | 0 | 0 | 0 | 108 | V283 E284 R285 | D281-V283 PolarHBondContact O-N 3.08Å; D281-V283 VanDerWaalsContact O-N 3.16Å; D281-V283 WeakPolarHBondContact OD1-CB 3.44Å; D281-V283 PolarHBondContact OD1-N 3.05Å; D281-E284 HydrophobicContact CB-CB 3.92Å; D281-E284 PolarHBondContact O-N 3.27Å; D281-E284 VanDerWaalsContact O-N 3.14Å; D281-R285 PolarHBondContact O-N 3.45Å | ||
| 282 | P | 81.6 | Confident | 84.2 | Confident | 91 Ų | 91 | 104 Ų | 104 | 59% | 0.591 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -56.7 | -29.8 | 178.7 | 23.8 | -34.7 | 0 | 0 | 0 | 112.4 | Y280 D286 | Y280-P282 WeakPolarHBondContact O-CD 3.47Å; P282-D286 VanDerWaalsContact O-CB 3.28Å; P282-D286 WeakPolarHBondContact O-CB 3.47Å; P282-D286 PolarHBondContact O-N 3.34Å |
| 283 | V | 83.2 | Confident | 84.3 | Confident | 91 Ų | 91 | 104.6 Ų | 104.6 | 55% | 0.552 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -71.4 | -45.6 | 177.7 | -178.6 | 0 | 0 | 0 | 0 | 110.8 | D281 R285 D286 I287 | D281-V283 PolarHBondContact O-N 3.08Å; D281-V283 VanDerWaalsContact O-N 3.16Å; D281-V283 WeakPolarHBondContact OD1-CB 3.44Å; D281-V283 PolarHBondContact OD1-N 3.05Å; V283-R285 VanDerWaalsContact C-N 3.3Å; V283-R285 PolarHBondContact O-N 3.44Å; V283-D286 PolarHBondContact O-N 3.45Å; V283-I287 HydrophobicContact CG1-CD1 3.95Å; V283-I287 VanDerWaalsContact O-CG1 3.24Å; V283-I287 WeakPolarHBondContact O-CG1 3.24Å; V283-I287 PolarHBondContact O-N 3.14Å |
| 284 | E | 82.6 | Confident | 84.5 | Confident | 117 Ų | 117 | 109.2 Ų | 109.2 | 55% | 0.547 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.9 | -42.7 | 176.7 | -171.1 | 172.9 | -161.6 | 0 | 0 | 110.6 | D281 D286 I287 E288 | D281-E284 HydrophobicContact CB-CB 3.92Å; D281-E284 PolarHBondContact O-N 3.27Å; D281-E284 VanDerWaalsContact O-N 3.14Å; E284-D286 PolarHBondContact O-N 3.04Å; E284-I287 PolarHBondContact O-N 2.81Å; E284-E288 WeakPolarHBondContact O-CG 3.31Å; E284-E288 PolarHBondContact O-N 3.21Å |
| 285 | R | 82.3 | Confident | 84.9 | Confident | 128 Ų | 128 | 103.3 Ų | 103.3 | 48% | 0.483 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.8 | -36.9 | 178.7 | -170 | 59.4 | 174.3 | 172.5 | -0.4 | 113.5 | Y280 D281 V283 E288 T289 | Y280-R285 HydrophobicContact CD2-CB 3.97Å; Y280-R285 HydrophobicContact CD2-CG 4.26Å; D281-R285 PolarHBondContact O-N 3.45Å; V283-R285 VanDerWaalsContact C-N 3.3Å; V283-R285 PolarHBondContact O-N 3.44Å; R285-E288 IonicContact NH1-OE2 3.25Å; R285-E288 PolarHBondContact NH1-OE2 3.36Å; R285-E288 PolarHBondContact O-N 2.9Å; R285-T289 HydrophobicContact CG-CG2 4.26Å; R285-T289 WeakPolarHBondContact O-CB 3.44Å; R285-T289 WeakPolarHBondContact O-CG2 3.37Å; R285-T289 PolarHBondContact O-N 3.31Å; R285-T289 PolarHBondContact O-OG1 2.82Å |
| 286 | D | 85.6 | Confident | 85.2 | Confident | 112 Ų | 112 | 102 Ų | 102 | 60% | 0.599 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -70.5 | -34.9 | 176.2 | -167.8 | 37.6 | 0 | 0 | 0 | 111.3 | P282 V283 E284 G290 F291 | P282-D286 VanDerWaalsContact O-CB 3.28Å; P282-D286 WeakPolarHBondContact O-CB 3.47Å; P282-D286 PolarHBondContact O-N 3.34Å; V283-D286 PolarHBondContact O-N 3.45Å; E284-D286 PolarHBondContact O-N 3.04Å; D286-G290 VanDerWaalsContact O-CA 3.26Å; D286-G290 WeakPolarHBondContact O-CA 3.37Å; D286-G290 PolarHBondContact O-N 2.91Å; D286-F291 PolarHBondContact O-N 2.85Å; D286-F291 VanDerWaalsContact O-N 3.17Å |
| 287 | I | 86.4 | Confident | 85.5 | Confident | 80 Ų | 80 | 97.6 Ų | 97.6 | 41% | 0.41 | 50% | 0.499 | S | S | . | . | I | π-helix | trans | -64.5 | -48 | 170.9 | -67.5 | 165.5 | 0 | 0 | 0 | 110.4 | V283 E284 F291 L292 | V283-I287 HydrophobicContact CG1-CD1 3.95Å; V283-I287 VanDerWaalsContact O-CG1 3.24Å; V283-I287 WeakPolarHBondContact O-CG1 3.24Å; V283-I287 PolarHBondContact O-N 3.14Å; E284-I287 PolarHBondContact O-N 2.81Å; I287-F291 HydrophobicContact CG2-CB 4.42Å; I287-F291 HydrophobicContact CG2-CD1 4.31Å; I287-F291 WeakPolarHBondContact O-CB 3.38Å; I287-F291 PolarHBondContact O-N 3.31Å; I287-L292 HydrophobicContact CG2-CG 4.43Å; I287-L292 PolarHBondContact O-N 3.21Å |
| 288 | E | 83.6 | Confident | 86.1 | Confident | 94 Ų | 94 | 100.4 Ų | 100.4 | 44% | 0.439 | 50% | 0.499 | S | S | . | . | I | π-helix | trans | -64.8 | -42.4 | -179.5 | -76.5 | -173.8 | 163 | 0 | 0 | 113.4 | E284 R285 P293 | E284-E288 WeakPolarHBondContact O-CG 3.31Å; E284-E288 PolarHBondContact O-N 3.21Å; R285-E288 IonicContact NH1-OE2 3.25Å; R285-E288 PolarHBondContact NH1-OE2 3.36Å; R285-E288 PolarHBondContact O-N 2.9Å; E288-P293 WeakPolarHBondContact O-CD 3.49Å |
| 289 | T | 86.9 | Confident | 86.7 | Confident | 72 Ų | 72 | 95.3 Ų | 95.3 | 44% | 0.442 | 49% | 0.486 | S | S | . | . | I | π-helix | trans | -95.1 | -30.7 | -172.4 | 61.1 | 0 | 0 | 0 | 0 | 113.5 | R285 P293 | R285-T289 HydrophobicContact CG-CG2 4.26Å; R285-T289 WeakPolarHBondContact O-CB 3.44Å; R285-T289 WeakPolarHBondContact O-CG2 3.37Å; R285-T289 PolarHBondContact O-N 3.31Å; R285-T289 PolarHBondContact O-OG1 2.82Å; T289-P293 WeakPolarHBondContact O-CG 3.33Å |
| 290 | G | 88.1 | Confident | 87.4 | Confident | 33 Ų | 33 | 92.9 Ų | 92.9 | 34% | 0.34 | 48% | 0.481 | S | S | . | . | I | π-helix | trans | -98.9 | -61.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D286 W294 | D286-G290 VanDerWaalsContact O-CA 3.26Å; D286-G290 WeakPolarHBondContact O-CA 3.37Å; D286-G290 PolarHBondContact O-N 2.91Å; G290-W294 VanDerWaalsContact O-CB 3.26Å; G290-W294 WeakPolarHBondContact O-CB 3.26Å; G290-W294 PolarHBondContact O-N 2.86Å |
| 291 | F | 88.1 | Confident | 88.1 | Confident | 105 Ų | 105 | 88.6 Ų | 88.6 | 46% | 0.461 | 47% | 0.469 | S | S | . | . | I | π-helix | trans | -71.2 | -48 | -169.3 | -178.6 | -100.6 | 0 | 0 | 0 | 113.6 | D286 I287 W294 L295 | D286-F291 PolarHBondContact O-N 2.85Å; D286-F291 VanDerWaalsContact O-N 3.17Å; I287-F291 HydrophobicContact CG2-CB 4.42Å; I287-F291 HydrophobicContact CG2-CD1 4.31Å; I287-F291 WeakPolarHBondContact O-CB 3.38Å; I287-F291 PolarHBondContact O-N 3.31Å; F291-W294 HydrophobicContact CD2-CE3 4.25Å; F291-W294 HydrophobicContact CE2-CE3 4.19Å; F291-W294 HydrophobicContact CE2-CZ3 4.08Å; F291-W294 PolarHBondContact O-N 3.22Å; F291-L295 HydrophobicContact CE1-CB 4.49Å; F291-L295 HydrophobicContact CE1-CD1 4.19Å; F291-L295 HydrophobicContact CZ-CD1 3.89Å; F291-L295 WeakPolarHBondContact O-CB 3.41Å; F291-L295 PolarHBondContact O-N 3.48Å |
| 292 | L | 89.1 | Confident | 88.5 | Confident | 82 Ų | 82 | 87.6 Ų | 87.6 | 43% | 0.429 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.3 | -45.9 | -178 | -71.2 | -178.3 | 0 | 0 | 0 | 112.4 | I287 W294 L295 M296 | I287-L292 HydrophobicContact CG2-CG 4.43Å; I287-L292 PolarHBondContact O-N 3.21Å; L292-W294 PolarHBondContact O-N 2.9Å; L292-L295 PolarHBondContact O-N 2.91Å; L292-M296 WeakPolarHBondContact O-CB 3.36Å; L292-M296 WeakPolarHBondContact O-CG 3.26Å; L292-M296 PolarHBondContact O-N 3.07Å |
| 293 | P | 93.8 | Very high | 88.9 | Confident | 68 Ų | 68 | 87.3 Ų | 87.3 | 44% | 0.442 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.3 | -39.8 | 175.4 | -26.6 | 39.2 | 0 | 0 | 0 | 112.5 | E288 T289 M296 A297 | E288-P293 WeakPolarHBondContact O-CD 3.49Å; T289-P293 WeakPolarHBondContact O-CG 3.33Å; P293-M296 PolarHBondContact O-N 3.49Å; P293-A297 VanDerWaalsContact O-CB 3.26Å; P293-A297 WeakPolarHBondContact O-CB 3.41Å; P293-A297 PolarHBondContact O-N 3.39Å |
| 294 | W | 92.6 | Very high | 89.2 | Confident | 157 Ų | 157 | 88.6 Ų | 88.6 | 60% | 0.595 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -61.3 | -45.8 | 175.2 | 175.6 | 86.8 | 0 | 0 | 0 | 112 | G290 F291 L292 A297 H298 | G290-W294 VanDerWaalsContact O-CB 3.26Å; G290-W294 WeakPolarHBondContact O-CB 3.26Å; G290-W294 PolarHBondContact O-N 2.86Å; F291-W294 HydrophobicContact CD2-CE3 4.25Å; F291-W294 HydrophobicContact CE2-CE3 4.19Å; F291-W294 HydrophobicContact CE2-CZ3 4.08Å; F291-W294 PolarHBondContact O-N 3.22Å; L292-W294 PolarHBondContact O-N 2.9Å; W294-A297 PolarHBondContact O-N 2.88Å; W294-H298 WeakPolarHBondContact O-CB 3.32Å; W294-H298 PolarHBondContact O-N 3.25Å |
| 295 | L | 92.6 | Very high | 89.5 | Confident | 65 Ų | 65 | 89.6 Ų | 89.6 | 34% | 0.34 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62 | -48.2 | 177.1 | -174.8 | 99.9 | 0 | 0 | 0 | 110.7 | F291 L292 A297 H298 V299 | F291-L295 HydrophobicContact CE1-CB 4.49Å; F291-L295 HydrophobicContact CE1-CD1 4.19Å; F291-L295 HydrophobicContact CZ-CD1 3.89Å; F291-L295 WeakPolarHBondContact O-CB 3.41Å; F291-L295 PolarHBondContact O-N 3.48Å; L292-L295 PolarHBondContact O-N 2.91Å; L295-A297 VanDerWaalsContact C-N 3.32Å; L295-A297 PolarHBondContact O-N 3.43Å; L295-H298 PolarHBondContact O-N 2.88Å; L295-H298 VanDerWaalsContact O-N 3.15Å; L295-V299 WeakPolarHBondContact O-CG2 3.2Å; L295-V299 PolarHBondContact O-N 2.89Å |
| 296 | M | 91.4 | Very high | 89.8 | Confident | 128 Ų | 128 | 90.6 Ų | 90.6 | 63% | 0.631 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62 | -39.7 | 179.2 | -70 | -65 | -89 | 0 | 0 | 111.6 | L292 P293 V299 S300 | L292-M296 WeakPolarHBondContact O-CB 3.36Å; L292-M296 WeakPolarHBondContact O-CG 3.26Å; L292-M296 PolarHBondContact O-N 3.07Å; P293-M296 PolarHBondContact O-N 3.49Å; M296-V299 PolarHBondContact O-N 2.89Å; M296-S300 WeakPolarHBondContact O-CB 3.2Å; M296-S300 PolarHBondContact O-N 3.42Å; M296-S300 PolarHBondContact O-OG 2.81Å |
| 297 | A | 92.1 | Very high | 90 | Very high | 56 Ų | 56 | 92.8 Ų | 92.8 | 46% | 0.463 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.3 | -35.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | P293 W294 L295 S300 N301 | P293-A297 VanDerWaalsContact O-CB 3.26Å; P293-A297 WeakPolarHBondContact O-CB 3.41Å; P293-A297 PolarHBondContact O-N 3.39Å; W294-A297 PolarHBondContact O-N 2.88Å; L295-A297 VanDerWaalsContact C-N 3.32Å; L295-A297 PolarHBondContact O-N 3.43Å; A297-S300 WeakPolarHBondContact CA-OG 3.43Å; A297-S300 PolarHBondContact O-OG 2.97Å; A297-N301 WeakPolarHBondContact O-CB 3.36Å; A297-N301 PolarHBondContact O-N 3.47Å; A297-N301 VanDerWaalsContact O-N 3.07Å |
| 298 | H | 91.9 | Very high | 90.1 | Very high | 108 Ų | 108 | 93.4 Ų | 93.4 | 50% | 0.5 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68.5 | -45 | 175.1 | -163.9 | 73.5 | 0 | 0 | 0 | 111.3 | W294 L295 N301 T302 | W294-H298 WeakPolarHBondContact O-CB 3.32Å; W294-H298 PolarHBondContact O-N 3.25Å; L295-H298 PolarHBondContact O-N 2.88Å; L295-H298 VanDerWaalsContact O-N 3.15Å; H298-N301 PolarHBondContact O-N 3.48Å; H298-T302 WeakPolarHBondContact O-CG2 3.39Å; H298-T302 PolarHBondContact O-N 3.15Å |
| 299 | V | 92.8 | Very high | 90.2 | Very high | 65 Ų | 65 | 91.7 Ų | 91.7 | 39% | 0.394 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.1 | -46.7 | 175.3 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | L295 M296 N301 T302 L303 | L295-V299 WeakPolarHBondContact O-CG2 3.2Å; L295-V299 PolarHBondContact O-N 2.89Å; M296-V299 PolarHBondContact O-N 2.89Å; V299-N301 VanDerWaalsContact C-N 3.33Å; V299-N301 PolarHBondContact O-N 3.39Å; V299-T302 PolarHBondContact O-N 3.17Å; V299-T302 PolarHBondContact O-OG1 3.38Å; V299-L303 HydrophobicContact CG1-CD1 4.18Å; V299-L303 WeakPolarHBondContact O-CG 3.34Å; V299-L303 PolarHBondContact O-N 3.04Å |
| 300 | S | 91.1 | Very high | 90.3 | Very high | 51 Ų | 51 | 94.4 Ų | 94.4 | 36% | 0.357 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.8 | -42.8 | 177.6 | 68.4 | 0 | 0 | 0 | 0 | 111.9 | M296 A297 T302 L303 E304 | M296-S300 WeakPolarHBondContact O-CB 3.2Å; M296-S300 PolarHBondContact O-N 3.42Å; M296-S300 PolarHBondContact O-OG 2.81Å; A297-S300 WeakPolarHBondContact CA-OG 3.43Å; A297-S300 PolarHBondContact O-OG 2.97Å; S300-T302 PolarHBondContact O-N 2.91Å; S300-L303 CarbonylContact O-C 3.6Å; S300-L303 WeakPolarHBondContact O-CB 3.39Å; S300-L303 PolarHBondContact O-N 3.38Å; S300-E304 WeakPolarHBondContact O-CG 3.48Å; S300-E304 PolarHBondContact O-N 2.96Å |
| 301 | N | 91.6 | Very high | 90.2 | Very high | 70 Ų | 70 | 95 Ų | 95 | 37% | 0.374 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 177.1 | -165.7 | -34.1 | 0 | 0 | 0 | 112.3 | A297 H298 V299 L303 E304 K305 | A297-N301 WeakPolarHBondContact O-CB 3.36Å; A297-N301 PolarHBondContact O-N 3.47Å; A297-N301 VanDerWaalsContact O-N 3.07Å; H298-N301 PolarHBondContact O-N 3.48Å; V299-N301 VanDerWaalsContact C-N 3.33Å; V299-N301 PolarHBondContact O-N 3.39Å; N301-L303 VanDerWaalsContact C-N 3.33Å; N301-L303 PolarHBondContact O-N 3.3Å; N301-E304 PolarHBondContact O-N 2.72Å; N301-K305 WeakPolarHBondContact O-CB 3.46Å; N301-K305 WeakPolarHBondContact O-CG 3.48Å; N301-K305 PolarHBondContact O-N 2.88Å; N301-K305 WeakPolarHBondContact OD1-CE 3.33Å |
| 302 | T | 90.8 | Very high | 90.3 | Very high | 66 Ų | 66 | 93.7 Ų | 93.7 | 41% | 0.405 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.6 | -37.6 | 173.7 | 63 | 0 | 0 | 0 | 0 | 112.5 | H298 V299 S300 R306 | H298-T302 WeakPolarHBondContact O-CG2 3.39Å; H298-T302 PolarHBondContact O-N 3.15Å; V299-T302 PolarHBondContact O-N 3.17Å; V299-T302 PolarHBondContact O-OG1 3.38Å; S300-T302 PolarHBondContact O-N 2.91Å; T302-R306 WeakPolarHBondContact O-CB 3.49Å; T302-R306 PolarHBondContact O-N 3.45Å |
| 303 | L | 90 | Very high | 90.3 | Very high | 86 Ų | 86 | 94.7 Ų | 94.7 | 45% | 0.45 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.4 | -43.9 | 174.4 | -72.4 | 174.5 | 0 | 0 | 0 | 111.2 | V299 S300 N301 R306 Y307 | V299-L303 HydrophobicContact CG1-CD1 4.18Å; V299-L303 WeakPolarHBondContact O-CG 3.34Å; V299-L303 PolarHBondContact O-N 3.04Å; S300-L303 CarbonylContact O-C 3.6Å; S300-L303 WeakPolarHBondContact O-CB 3.39Å; S300-L303 PolarHBondContact O-N 3.38Å; N301-L303 VanDerWaalsContact C-N 3.33Å; N301-L303 PolarHBondContact O-N 3.3Å; L303-R306 CarbonylContact O-C 3.59Å; L303-R306 WeakPolarHBondContact O-CA 3.36Å; L303-R306 WeakPolarHBondContact O-CB 3.27Å; L303-R306 PolarHBondContact O-N 3.22Å; L303-R306 VanDerWaalsContact O-N 3.11Å; L303-Y307 HydrophobicContact CB-CD2 4.48Å; L303-Y307 WeakPolarHBondContact O-CD2 3.48Å; L303-Y307 PolarHBondContact O-N 2.82Å |
| 304 | E | 90.3 | Very high | 90 | Very high | 117 Ų | 117 | 96.2 Ų | 96.2 | 55% | 0.547 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.9 | -48.1 | 175.3 | -76.6 | 174.6 | -171.1 | 0 | 0 | 111.4 | S300 N301 R306 Y307 V308 | S300-E304 WeakPolarHBondContact O-CG 3.48Å; S300-E304 PolarHBondContact O-N 2.96Å; N301-E304 PolarHBondContact O-N 2.72Å; E304-R306 PolarHBondContact O-N 3.21Å; E304-Y307 PolarHBondContact O-N 2.91Å; E304-Y307 VanDerWaalsContact O-N 3.08Å; E304-V308 WeakPolarHBondContact O-CG2 3.38Å; E304-V308 PolarHBondContact O-N 3.29Å |
| 305 | K | 88.8 | Confident | 89.8 | Confident | 139 Ų | 139 | 95.1 Ų | 95.1 | 60% | 0.604 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -55.9 | -41.1 | 173.3 | -74.7 | 173.7 | 179.6 | 171.2 | 0 | 111.7 | N301 A309 | N301-K305 WeakPolarHBondContact O-CB 3.46Å; N301-K305 WeakPolarHBondContact O-CG 3.48Å; N301-K305 PolarHBondContact O-N 2.88Å; N301-K305 WeakPolarHBondContact OD1-CE 3.33Å; K305-A309 VanDerWaalsContact O-CB 3.27Å; K305-A309 WeakPolarHBondContact O-CB 3.42Å; K305-A309 PolarHBondContact O-N 3.04Å |
| 306 | R | 88.6 | Confident | 89.6 | Confident | 148 Ų | 148 | 97 Ų | 97 | 56% | 0.558 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68 | -38.5 | 176.3 | -175 | 177.3 | 177.4 | 147.7 | 1 | 112.4 | T302 L303 E304 R310 | T302-R306 WeakPolarHBondContact O-CB 3.49Å; T302-R306 PolarHBondContact O-N 3.45Å; L303-R306 CarbonylContact O-C 3.59Å; L303-R306 WeakPolarHBondContact O-CA 3.36Å; L303-R306 WeakPolarHBondContact O-CB 3.27Å; L303-R306 PolarHBondContact O-N 3.22Å; L303-R306 VanDerWaalsContact O-N 3.11Å; E304-R306 PolarHBondContact O-N 3.21Å; R306-R310 VanDerWaalsContact NH2-NH2 3.19Å; R306-R310 WeakPolarHBondContact O-CB 3.16Å; R306-R310 WeakPolarHBondContact O-CG 3.45Å; R306-R310 PolarHBondContact O-N 3.39Å |
| 307 | Y | 88.9 | Confident | 89.4 | Confident | 159 Ų | 159 | 95.3 Ų | 95.3 | 62% | 0.624 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.2 | -45.9 | 175.1 | -86.1 | -69.7 | 0 | 0 | 0 | 111.4 | L303 E304 R310 A311 | L303-Y307 HydrophobicContact CB-CD2 4.48Å; L303-Y307 WeakPolarHBondContact O-CD2 3.48Å; L303-Y307 PolarHBondContact O-N 2.82Å; E304-Y307 PolarHBondContact O-N 2.91Å; E304-Y307 VanDerWaalsContact O-N 3.08Å; Y307-R310 PolarHBondContact O-N 3.08Å; Y307-A311 WeakPolarHBondContact O-CB 3.42Å; Y307-A311 PolarHBondContact O-N 3.14Å |
| 308 | V | 88.6 | Confident | 89.1 | Confident | 92 Ų | 92 | 98.1 Ų | 98.1 | 56% | 0.558 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.7 | -45.4 | 175.5 | 174.7 | 0 | 0 | 0 | 0 | 110.5 | E304 R310 A311 V312 | E304-V308 WeakPolarHBondContact O-CG2 3.38Å; E304-V308 PolarHBondContact O-N 3.29Å; V308-R310 VanDerWaalsContact C-N 3.32Å; V308-R310 PolarHBondContact O-N 2.77Å; V308-A311 PolarHBondContact O-N 2.98Å; V308-V312 HydrophobicContact CG1-CG2 4.34Å; V308-V312 WeakPolarHBondContact O-CG2 3.49Å; V308-V312 PolarHBondContact O-N 3.11Å |
| 309 | A | 86.9 | Confident | 88.8 | Confident | 59 Ų | 59 | 97 Ų | 97 | 49% | 0.488 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.7 | -41.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K305 L313 | K305-A309 VanDerWaalsContact O-CB 3.27Å; K305-A309 WeakPolarHBondContact O-CB 3.42Å; K305-A309 PolarHBondContact O-N 3.04Å; A309-L313 WeakPolarHBondContact O-CB 3.42Å; A309-L313 PolarHBondContact O-N 3.45Å |
| 310 | R | 87.5 | Confident | 88.5 | Confident | 129 Ų | 129 | 97.5 Ų | 97.5 | 49% | 0.487 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65 | -45.2 | 173.4 | -80.9 | 178.9 | 169.5 | 165.2 | -8 | 112.3 | R306 Y307 V308 V312 L313 D314 | R306-R310 VanDerWaalsContact NH2-NH2 3.19Å; R306-R310 WeakPolarHBondContact O-CB 3.16Å; R306-R310 WeakPolarHBondContact O-CG 3.45Å; R306-R310 PolarHBondContact O-N 3.39Å; Y307-R310 PolarHBondContact O-N 3.08Å; V308-R310 VanDerWaalsContact C-N 3.32Å; V308-R310 PolarHBondContact O-N 2.77Å; R310-V312 PolarHBondContact O-N 3.4Å; R310-L313 CarbonylContact O-C 3.6Å; R310-L313 WeakPolarHBondContact O-CB 3.46Å; R310-L313 PolarHBondContact O-N 2.89Å; R310-L313 VanDerWaalsContact O-N 3.14Å; R310-D314 PolarHBondContact O-N 2.83Å |
| 311 | A | 87.7 | Confident | 88.2 | Confident | 44 Ų | 44 | 98.7 Ų | 98.7 | 36% | 0.364 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y307 V308 L313 D314 M315 | Y307-A311 WeakPolarHBondContact O-CB 3.42Å; Y307-A311 PolarHBondContact O-N 3.14Å; V308-A311 PolarHBondContact O-N 2.98Å; A311-L313 VanDerWaalsContact C-N 3.33Å; A311-D314 PolarHBondContact O-N 3.25Å; A311-M315 WeakPolarHBondContact O-CG 3.24Å; A311-M315 PolarHBondContact O-N 2.88Å |
| 312 | V | 89.1 | Confident | 87.7 | Confident | 78 Ų | 78 | 99.2 Ų | 99.2 | 47% | 0.473 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.3 | -40.3 | 173.8 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | V308 R310 M315 L316 | V308-V312 HydrophobicContact CG1-CG2 4.34Å; V308-V312 WeakPolarHBondContact O-CG2 3.49Å; V308-V312 PolarHBondContact O-N 3.11Å; R310-V312 PolarHBondContact O-N 3.4Å; V312-M315 PolarHBondContact O-N 3.37Å; V312-L316 HydrophobicContact CG1-CD1 4.28Å; V312-L316 WeakPolarHBondContact O-CB 3.44Å; V312-L316 PolarHBondContact O-N 2.81Å |
| 313 | L | 89.3 | Confident | 87.2 | Confident | 104 Ų | 104 | 102.2 Ų | 102.2 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 176.5 | -158.9 | 120.3 | 0 | 0 | 0 | 111.4 | A309 R310 A311 L316 I317 | A309-L313 WeakPolarHBondContact O-CB 3.42Å; A309-L313 PolarHBondContact O-N 3.45Å; R310-L313 CarbonylContact O-C 3.6Å; R310-L313 WeakPolarHBondContact O-CB 3.46Å; R310-L313 PolarHBondContact O-N 2.89Å; R310-L313 VanDerWaalsContact O-N 3.14Å; A311-L313 VanDerWaalsContact C-N 3.33Å; L313-L316 WeakPolarHBondContact O-CB 3.45Å; L313-L316 PolarHBondContact O-N 3Å; L313-I317 HydrophobicContact CD2-CD1 3.78Å; L313-I317 VanDerWaalsContact O-CG1 3.26Å; L313-I317 WeakPolarHBondContact O-CG1 3.43Å; L313-I317 PolarHBondContact O-N 3.36Å |
| 314 | D | 88.3 | Confident | 86.7 | Confident | 100 Ų | 100 | 106.9 Ų | 106.9 | 54% | 0.535 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 175.1 | -70.7 | -21.7 | 0 | 0 | 0 | 111.6 | R310 A311 I317 H318 | R310-D314 PolarHBondContact O-N 2.83Å; A311-D314 PolarHBondContact O-N 3.25Å; D314-I317 PolarHBondContact O-N 3.38Å; D314-H318 WeakPolarHBondContact O-CB 3.35Å; D314-H318 PolarHBondContact O-N 2.84Å |
| 315 | M | 87.8 | Confident | 86.2 | Confident | 133 Ų | 133 | 106.1 Ų | 106.1 | 66% | 0.655 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.6 | -43.2 | 172.4 | -74.1 | -176.5 | -170 | 0 | 0 | 111.9 | A311 V312 H318 D319 | A311-M315 WeakPolarHBondContact O-CG 3.24Å; A311-M315 PolarHBondContact O-N 2.88Å; V312-M315 PolarHBondContact O-N 3.37Å; M315-H318 WeakPolarHBondContact O-CB 3.36Å; M315-H318 PolarHBondContact O-N 3.2Å; M315-D319 PolarHBondContact O-N 3.36Å |
| 316 | L | 87.9 | Confident | 85.7 | Confident | 105 Ų | 105 | 103.4 Ų | 103.4 | 55% | 0.55 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 175.3 | -100.7 | 159.2 | 0 | 0 | 0 | 111.7 | V312 L313 H318 V320 | V312-L316 HydrophobicContact CG1-CD1 4.28Å; V312-L316 WeakPolarHBondContact O-CB 3.44Å; V312-L316 PolarHBondContact O-N 2.81Å; L313-L316 WeakPolarHBondContact O-CB 3.45Å; L313-L316 PolarHBondContact O-N 3Å; L316-H318 VanDerWaalsContact C-N 3.32Å; L316-V320 WeakPolarHBondContact O-CB 3.42Å; L316-V320 VanDerWaalsContact O-CG2 3.24Å; L316-V320 WeakPolarHBondContact O-CG2 3.26Å; L316-V320 PolarHBondContact O-N 3.32Å |
| 317 | I | 86.9 | Confident | 85 | Confident | 93 Ų | 93 | 101.4 Ų | 101.4 | 48% | 0.477 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61 | -45 | 174.2 | -69.5 | 166.4 | 0 | 0 | 0 | 109.6 | L313 D314 V320 T321 | L313-I317 HydrophobicContact CD2-CD1 3.78Å; L313-I317 VanDerWaalsContact O-CG1 3.26Å; L313-I317 WeakPolarHBondContact O-CG1 3.43Å; L313-I317 PolarHBondContact O-N 3.36Å; D314-I317 PolarHBondContact O-N 3.38Å; I317-V320 PolarHBondContact O-N 3.31Å; I317-T321 HydrophobicContact CG2-CG2 4.49Å; I317-T321 WeakPolarHBondContact O-CG2 3.37Å; I317-T321 PolarHBondContact O-N 2.89Å; I317-T321 PolarHBondContact O-OG1 3.33Å |
| 318 | H | 86.8 | Confident | 84.2 | Confident | 114 Ų | 114 | 101.3 Ų | 101.3 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60 | -51 | 177.7 | -167.9 | 65.2 | 0 | 0 | 0 | 112.2 | D314 M315 L316 V320 T321 Q322 | D314-H318 WeakPolarHBondContact O-CB 3.35Å; D314-H318 PolarHBondContact O-N 2.84Å; M315-H318 WeakPolarHBondContact O-CB 3.36Å; M315-H318 PolarHBondContact O-N 3.2Å; L316-H318 VanDerWaalsContact C-N 3.32Å; H318-V320 VanDerWaalsContact C-N 3.33Å; H318-V320 PolarHBondContact O-N 2.97Å; H318-T321 WeakPolarHBondContact CA-OG1 3.43Å; H318-T321 CarbonylContact O-C 3.58Å; H318-T321 PolarHBondContact O-N 3.39Å; H318-T321 VanDerWaalsContact O-N 3.11Å; H318-T321 PolarHBondContact O-OG1 2.86Å; H318-Q322 WeakPolarHBondContact O-CB 3.3Å; H318-Q322 PolarHBondContact O-N 3.06Å |
| 319 | D | 85.8 | Confident | 83.1 | Confident | 85 Ų | 85 | 102.5 Ų | 102.5 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.5 | -43 | 176.8 | -97.2 | 17.6 | 0 | 0 | 0 | 112.4 | M315 Q322 K323 | M315-D319 PolarHBondContact O-N 3.36Å; D319-Q322 PolarHBondContact O-N 2.88Å; D319-K323 WeakPolarHBondContact O-CB 3.48Å; D319-K323 WeakPolarHBondContact O-CG 3.34Å; D319-K323 PolarHBondContact O-N 2.93Å |
| 320 | V | 86.3 | Confident | 81.9 | Confident | 76 Ų | 76 | 107 Ų | 107 | 46% | 0.461 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.9 | -40.6 | 177.1 | 171 | 0 | 0 | 0 | 0 | 110.8 | L316 I317 H318 R324 | L316-V320 WeakPolarHBondContact O-CB 3.42Å; L316-V320 VanDerWaalsContact O-CG2 3.24Å; L316-V320 WeakPolarHBondContact O-CG2 3.26Å; L316-V320 PolarHBondContact O-N 3.32Å; I317-V320 PolarHBondContact O-N 3.31Å; H318-V320 VanDerWaalsContact C-N 3.33Å; H318-V320 PolarHBondContact O-N 2.97Å; V320-R324 WeakPolarHBondContact O-CB 3.39Å; V320-R324 WeakPolarHBondContact O-CG 3.49Å; V320-R324 PolarHBondContact O-N 3.19Å |
| 321 | T | 83.6 | Confident | 80.6 | Confident | 75 Ų | 75 | 108.3 Ų | 108.3 | 46% | 0.46 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.8 | -38.5 | 175.3 | 56.3 | 0 | 0 | 0 | 0 | 112.5 | I317 H318 R324 L325 | I317-T321 HydrophobicContact CG2-CG2 4.49Å; I317-T321 WeakPolarHBondContact O-CG2 3.37Å; I317-T321 PolarHBondContact O-N 2.89Å; I317-T321 PolarHBondContact O-OG1 3.33Å; H318-T321 WeakPolarHBondContact CA-OG1 3.43Å; H318-T321 CarbonylContact O-C 3.58Å; H318-T321 PolarHBondContact O-N 3.39Å; H318-T321 VanDerWaalsContact O-N 3.11Å; H318-T321 PolarHBondContact O-OG1 2.86Å; T321-R324 PolarHBondContact O-N 3.25Å; T321-L325 PolarHBondContact O-N 3.4Å |
| 322 | Q | 81.4 | Confident | 78.5 | Confident | 82 Ų | 82 | 113.2 Ų | 113.2 | 38% | 0.383 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69.1 | -44.6 | 178.1 | -169.8 | 178.5 | -23.9 | 0 | 0 | 111.5 | H318 D319 R324 L325 E326 | H318-Q322 WeakPolarHBondContact O-CB 3.3Å; H318-Q322 PolarHBondContact O-N 3.06Å; D319-Q322 PolarHBondContact O-N 2.88Å; Q322-R324 VanDerWaalsContact C-N 3.26Å; Q322-R324 PolarHBondContact O-N 2.82Å; Q322-L325 WeakPolarHBondContact O-CA 3.43Å; Q322-L325 WeakPolarHBondContact O-CB 3.45Å; Q322-L325 PolarHBondContact O-N 3.11Å; Q322-E326 PolarHBondContact NE2-OE1 2.99Å; Q322-E326 WeakPolarHBondContact O-CG 3.36Å; Q322-E326 PolarHBondContact O-N 2.86Å |
| 323 | K | 81.7 | Confident | 76.4 | Confident | 129 Ų | 129 | 114.5 Ų | 114.5 | 56% | 0.561 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -58.6 | -38.1 | 172 | -75.6 | 176.7 | -178.9 | 171.7 | 0 | 112.2 | D319 L327 | D319-K323 WeakPolarHBondContact O-CB 3.48Å; D319-K323 WeakPolarHBondContact O-CG 3.34Å; D319-K323 PolarHBondContact O-N 2.93Å; K323-L327 WeakPolarHBondContact O-CB 3.45Å; K323-L327 VanDerWaalsContact O-CG 3.3Å; K323-L327 WeakPolarHBondContact O-CG 3.49Å; K323-L327 PolarHBondContact O-N 2.68Å |
| 324 | R | 78.9 | Confident | 74.1 | Confident | 183 Ų | 183 | 117.8 Ų | 117.8 | 69% | 0.691 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.6 | -38.2 | 173.5 | -80.1 | -169.8 | 174.5 | -167.8 | -0.1 | 112.5 | V320 T321 Q322 F328 | V320-R324 WeakPolarHBondContact O-CB 3.39Å; V320-R324 WeakPolarHBondContact O-CG 3.49Å; V320-R324 PolarHBondContact O-N 3.19Å; T321-R324 PolarHBondContact O-N 3.25Å; Q322-R324 VanDerWaalsContact C-N 3.26Å; Q322-R324 PolarHBondContact O-N 2.82Å; R324-F328 WeakPolarHBondContact O-CB 3.39Å; R324-F328 PolarHBondContact O-N 2.88Å |
| 325 | L | 79.2 | Confident | 71.6 | Confident | 101 Ų | 101 | 120.3 Ų | 120.3 | 53% | 0.529 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.8 | -45.5 | 174.4 | -171.1 | 83.6 | 0 | 0 | 0 | 111.2 | T321 Q322 F328 Q329 | T321-L325 PolarHBondContact O-N 3.4Å; Q322-L325 WeakPolarHBondContact O-CA 3.43Å; Q322-L325 WeakPolarHBondContact O-CB 3.45Å; Q322-L325 PolarHBondContact O-N 3.11Å; L325-F328 CarbonylContact O-C 3.51Å; L325-F328 WeakPolarHBondContact O-CA 3.47Å; L325-F328 WeakPolarHBondContact O-CB 3.37Å; L325-F328 PolarHBondContact O-N 2.86Å; L325-F328 VanDerWaalsContact O-N 3.09Å; L325-Q329 WeakPolarHBondContact O-CG 3.47Å; L325-Q329 PolarHBondContact O-N 2.83Å |
| 326 | E | 77.9 | Confident | 69.4 | Low | 83 Ų | 83 | 121.6 Ų | 121.6 | 39% | 0.388 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.6 | -42.6 | 176.6 | -73.3 | 172.2 | -169.8 | 0 | 0 | 111.7 | Q322 F328 Q329 Q330 | Q322-E326 PolarHBondContact NE2-OE1 2.99Å; Q322-E326 WeakPolarHBondContact O-CG 3.36Å; Q322-E326 PolarHBondContact O-N 2.86Å; E326-F328 VanDerWaalsContact C-N 3.27Å; E326-F328 PolarHBondContact O-N 3.09Å; E326-Q329 PolarHBondContact O-N 3.06Å; E326-Q330 WeakPolarHBondContact O-CB 3.49Å; E326-Q330 WeakPolarHBondContact O-CG 3.48Å; E326-Q330 PolarHBondContact O-N 3.32Å |
| 327 | L | 75.8 | Confident | 67 | Low | 105 Ų | 105 | 121.7 Ų | 121.7 | 55% | 0.55 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -61.2 | -36.2 | 171.5 | -76.3 | 171.5 | 0 | 0 | 0 | 112.1 | K323 M331 | K323-L327 WeakPolarHBondContact O-CB 3.45Å; K323-L327 VanDerWaalsContact O-CG 3.3Å; K323-L327 WeakPolarHBondContact O-CG 3.49Å; K323-L327 PolarHBondContact O-N 2.68Å; L327-M331 WeakPolarHBondContact O-CB 3.49Å; L327-M331 WeakPolarHBondContact O-CG 3.2Å; L327-M331 PolarHBondContact O-N 3.11Å; L327-M331 VanDerWaalsContact O-N 3.12Å |
| 328 | F | 71.9 | Confident | 64.6 | Low | 157 Ų | 157 | 123.6 Ų | 123.6 | 69% | 0.689 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -70.2 | -37.5 | 176.1 | -137.1 | -84.5 | 0 | 0 | 0 | 112.3 | R324 L325 E326 M331 Q332 | R324-F328 WeakPolarHBondContact O-CB 3.39Å; R324-F328 PolarHBondContact O-N 2.88Å; L325-F328 CarbonylContact O-C 3.51Å; L325-F328 WeakPolarHBondContact O-CA 3.47Å; L325-F328 WeakPolarHBondContact O-CB 3.37Å; L325-F328 PolarHBondContact O-N 2.86Å; L325-F328 VanDerWaalsContact O-N 3.09Å; E326-F328 VanDerWaalsContact C-N 3.27Å; E326-F328 PolarHBondContact O-N 3.09Å; F328-M331 CarbonylContact O-C 3.56Å; F328-M331 PolarHBondContact O-N 3.39Å; F328-Q332 PolarHBondContact O-N 3.12Å |
| 329 | Q | 65 | Low | 62.2 | Low | 117 Ų | 117 | 131 Ų | 131 | 55% | 0.547 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -70.6 | -35.7 | 175 | -73 | 177.1 | -7.7 | 0 | 0 | 112.1 | L325 E326 M331 Q332 | L325-Q329 WeakPolarHBondContact O-CG 3.47Å; L325-Q329 PolarHBondContact O-N 2.83Å; E326-Q329 PolarHBondContact O-N 3.06Å; Q329-M331 PolarHBondContact O-N 3.39Å; Q329-Q332 PolarHBondContact O-N 3.27Å; Q329-Q332 VanDerWaalsContact O-N 3.11Å |
| 330 | Q | 61.2 | Low | 61 | Low | 154 Ų | 154 | 133.3 Ų | 133.3 | 72% | 0.72 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -67.7 | -22.8 | 170.9 | -73.5 | 177.3 | 5.5 | 0 | 0 | 112.8 | E326 Q332 | E326-Q330 WeakPolarHBondContact O-CB 3.49Å; E326-Q330 WeakPolarHBondContact O-CG 3.48Å; E326-Q330 PolarHBondContact O-N 3.32Å; Q330-Q332 VanDerWaalsContact C-N 3.32Å |
| 331 | M | 59.7 | Low | 59.7 | Low | 156 Ų | 156 | 136.3 Ų | 136.3 | 77% | 0.768 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | 5.2 | 172 | -69.3 | -110 | -72.1 | 0 | 0 | 113.4 | L327 F328 Q329 P333 | L327-M331 WeakPolarHBondContact O-CB 3.49Å; L327-M331 WeakPolarHBondContact O-CG 3.2Å; L327-M331 PolarHBondContact O-N 3.11Å; L327-M331 VanDerWaalsContact O-N 3.12Å; F328-M331 CarbonylContact O-C 3.56Å; F328-M331 PolarHBondContact O-N 3.39Å; Q329-M331 PolarHBondContact O-N 3.39Å; M331-P333 WeakPolarHBondContact O-CD 3.21Å |
| 332 | Q | 44.8 | Very low | 58.4 | Low | 148 Ų | 148 | 139.7 Ų | 139.7 | 69% | 0.692 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -90.6 | 106 | 163.9 | -81.5 | -171.4 | -22 | 0 | 0 | 110 | F328 Q329 Q330 | F328-Q332 PolarHBondContact O-N 3.12Å; Q329-Q332 PolarHBondContact O-N 3.27Å; Q329-Q332 VanDerWaalsContact O-N 3.11Å; Q330-Q332 VanDerWaalsContact C-N 3.32Å |
| 333 | P | 44.9 | Very low | 57 | Low | 104 Ų | 104 | 143.1 Ų | 143.1 | 68% | 0.675 | 71% | 0.705 | S | S | * | * | trans | -70.4 | 138 | 176.4 | 27.1 | -32.5 | 0 | 0 | 0 | 111.8 | M331 D335 | M331-P333 WeakPolarHBondContact O-CD 3.21Å; P333-D335 PolarHBondContact O-N 3.08Å; P333-D335 VanDerWaalsContact O-N 3.08Å | ||
| 334 | H | 40.4 | Very low | 55.5 | Low | 174 Ų | 174 | 144 Ų | 144 | 81% | 0.806 | 72% | 0.715 | S | S | * | * | trans | -54.5 | 102.5 | 149.4 | -89.3 | -74.8 | 0 | 0 | 0 | 109.1 | ||||
| 335 | D | 35.8 | Very low | 53.9 | Low | 152 Ų | 152 | 141.4 Ų | 141.4 | 81% | 0.813 | 72% | 0.716 | S | S | * | * | trans | -102.8 | 106.4 | 152.4 | -88.2 | -22.4 | 0 | 0 | 0 | 108.1 | P333 | P333-D335 PolarHBondContact O-N 3.08Å; P333-D335 VanDerWaalsContact O-N 3.08Å | ||
| 336 | H | 41.5 | Very low | 52.1 | Low | 161 Ų | 161 | 144.3 Ų | 144.3 | 75% | 0.745 | 73% | 0.729 | S | S | * | * | trans | -103.7 | 116.9 | 156.4 | -85.4 | -51.6 | 0 | 0 | 0 | 108.6 | ||||
| 337 | S | 36.8 | Very low | 50.1 | Low | 107 Ų | 107 | 149 Ų | 149 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | 60 | 125.1 | 154.6 | 56.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 338 | T | 37.7 | Very low | 48 | Very low | 133 Ų | 133 | 152.7 Ų | 152.7 | 82% | 0.816 | 77% | 0.773 | S | S | * | * | 178.8 | 109.7 | 95.8 | -47 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 339 | Q | 36.6 | Very low | 45.8 | Very low | 269 Ų | 269 | 152.3 Ų | 152.3 | 100% | 1.257 | 78% | 0.781 | S | S | * | * | trans | 167.3 | 0 | 137 | -96.5 | -172.4 | 19.2 | 0 | 0 | 110.6 |
Retrieved 339 of 339 residues in 607.2 ms
(Link to these results)