| 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 | 42.2 | Very low | 37.9 | Very low | 239 Ų | 239 | 138.9 Ų | 138.9 | 100% | 1.177 | 85% | 0.852 | S | S | * | * | 0 | 116.6 | 0 | -82.1 | 177.6 | 177.5 | 0 | 0 | 108.1 | |||||
| 2 | L | 40 | Very low | 37.7 | Very low | 177 Ų | 177 | 136.2 Ų | 136.2 | 93% | 0.927 | 85% | 0.854 | S | S | * | * | trans | -172 | 114.7 | 147.8 | -100.4 | 162 | 0 | 0 | 0 | 107.3 | ||||
| 3 | F | 34.5 | Very low | 37.7 | Very low | 208 Ų | 208 | 140.8 Ų | 140.8 | 91% | 0.912 | 86% | 0.859 | S | S | * | * | trans | -51.9 | 151.8 | 162.5 | -71.3 | -107.9 | 0 | 0 | 0 | 109.3 | ||||
| 4 | G | 34.9 | Very low | 37.5 | Very low | 68 Ų | 68 | 142.8 Ų | 142.8 | 70% | 0.701 | 85% | 0.85 | S | S | * | * | cis | 139.7 | 133.5 | 17.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 5 | V | 38.5 | Very low | 37 | Very low | 152 Ų | 152 | 147.2 Ų | 147.2 | 92% | 0.921 | 85% | 0.846 | S | S | * | * | trans | -148.5 | 124.7 | 155.4 | 170.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 6 | V | 41.6 | Very low | 36.8 | Very low | 117 Ų | 117 | 144.9 Ų | 144.9 | 71% | 0.709 | 84% | 0.842 | S | S | * | * | trans | -81.8 | 138.3 | 174.5 | 138.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 7 | N | 33.6 | Very low | 36.6 | Very low | 154 Ų | 154 | 144.2 Ų | 144.2 | 82% | 0.824 | 84% | 0.843 | S | S | * | * | -161.2 | 136.1 | 123.5 | -119.2 | -88 | 0 | 0 | 0 | 112.9 | |||||
| 8 | P | 40.6 | Very low | 36.4 | Very low | 109 Ų | 109 | 141.8 Ų | 141.8 | 71% | 0.708 | 84% | 0.843 | S | S | * | * | trans | -90.5 | 153.9 | -173.4 | 35.4 | -32.5 | 0 | 0 | 0 | 114 | ||||
| 9 | V | 39.5 | Very low | 36.3 | Very low | 150 Ų | 150 | 138.1 Ų | 138.1 | 91% | 0.909 | 84% | 0.836 | S | S | * | * | trans | -50.7 | 144.3 | 171.2 | 163.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 10 | G | 36.1 | Very low | 36.1 | Very low | 70 Ų | 70 | 139.6 Ų | 139.6 | 72% | 0.722 | 83% | 0.834 | S | S | * | * | trans | 114.1 | 86.1 | 138.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 11 | G | 35.5 | Very low | 35.9 | Very low | 84 Ų | 84 | 139.4 Ų | 139.4 | 87% | 0.866 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 150.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 12 | A | 35.6 | Very low | 35.7 | Very low | 106 Ų | 106 | 135.1 Ų | 135.1 | 88% | 0.876 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 136.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 13 | Q | 37.7 | Very low | 36 | Very low | 197 Ų | 197 | 131.9 Ų | 131.9 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 120.1 | 171.4 | -171.5 | 150.6 | 21.6 | 0 | 0 | 110.4 | ||
| 14 | K | 34.4 | Very low | 36.5 | Very low | 168 Ų | 168 | 130.5 Ų | 130.5 | 73% | 0.73 | 80% | 0.797 | S | S | * | * | trans | -153 | 127.3 | 166.6 | -120.7 | -169.5 | -173.3 | -170.5 | 0 | 113.3 | ||||
| 15 | R | 30.6 | Very low | 36.6 | Very low | 209 Ų | 209 | 131.1 Ų | 131.1 | 79% | 0.789 | 79% | 0.79 | S | S | * | * | trans | 94.5 | 118.1 | 147.7 | -60.5 | -174.1 | -154.2 | -153.6 | 4.7 | 120.4 | ||||
| 16 | S | 33.1 | Very low | 36.8 | Very low | 111 Ų | 111 | 132.7 Ų | 132.7 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | 57.3 | 126.7 | 147 | -63.8 | 0 | 0 | 0 | 0 | 120.6 | A18 | S16-A18 PolarHBondContact O-N 3.12Š| ||
| 17 | P | 33.9 | Very low | 36.7 | Very low | 133 Ų | 133 | 133.6 Ų | 133.6 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -77 | 120.3 | 164.1 | 31.2 | -27.9 | 0 | 0 | 0 | 109.6 | ||
| 18 | A | 32.5 | Very low | 37.2 | Very low | 101 Ų | 101 | 132.4 Ų | 132.4 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 139 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | S16 | S16-A18 PolarHBondContact O-N 3.12Š|
| 19 | G | 34.5 | Very low | 37.2 | Very low | 70 Ų | 70 | 133.5 Ų | 133.5 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 163.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 20 | Q | 32.9 | Very low | 37.4 | Very low | 169 Ų | 169 | 136.4 Ų | 136.4 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | 83.7 | 79.4 | 159.1 | -120.4 | 78.7 | 66.5 | 0 | 0 | 117.8 | ||||
| 21 | D | 32 | Very low | 37.7 | Very low | 136 Ų | 136 | 141.2 Ų | 141.2 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | 46.5 | 88.3 | 121.2 | -46 | -48.5 | 0 | 0 | 0 | 118.3 | |||||
| 22 | D | 37.5 | Very low | 38.3 | Very low | 148 Ų | 148 | 143.8 Ų | 143.8 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | -61 | 170.7 | 147.7 | -62.1 | -73 | 0 | 0 | 0 | 111.6 | ||||
| 23 | P | 46.6 | Very low | 39 | Very low | 110 Ų | 110 | 144.5 Ų | 144.5 | 71% | 0.714 | 77% | 0.774 | S | S | * | * | cis | -127.8 | 158.2 | 6.3 | 36.6 | -18 | 0 | 0 | 0 | 112.9 | ||||
| 24 | E | 44 | Very low | 39.2 | Very low | 179 Ų | 179 | 139.1 Ų | 139.1 | 84% | 0.836 | 75% | 0.751 | S | S | * | * | cis | 54.3 | 73.5 | 41 | -143.1 | 170.8 | 105.4 | 0 | 0 | 115.5 | ||||
| 25 | S | 38.6 | Very low | 40 | Very low | 81 Ų | 81 | 138.3 Ų | 138.3 | 57% | 0.566 | 75% | 0.754 | S | S | * | * | trans | -173.9 | 110.2 | 151.2 | 48 | 0 | 0 | 0 | 0 | 108 | D27 | S25-D27 WeakPolarHBondContact CB-OD2 3.5Š| ||
| 26 | E | 41.1 | Very low | 41 | Very low | 184 Ų | 184 | 133.6 Ų | 133.6 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | cis | 60.5 | 7.9 | 42.5 | -64.3 | -147 | 108.4 | 0 | 0 | 116.6 | ||||
| 27 | D | 41.1 | Very low | 41.7 | Very low | 136 Ų | 136 | 133.1 Ų | 133.1 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | trans | -126.1 | 78.6 | 175.4 | -63.6 | -53 | 0 | 0 | 0 | 112.6 | S25 | S25-D27 WeakPolarHBondContact CB-OD2 3.5Š| ||
| 28 | E | 43.6 | Very low | 42.4 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 61% | 0.607 | 72% | 0.723 | S | S | * | * | trans | -168.2 | 21.7 | 149.5 | -113.5 | 173 | 138.1 | 0 | 0 | 113 | Y30 R82 | E28-Y30 PolarHBondContact O-N 3.31Å; E28-R82 IonicContact OE1-CZ 3.26Å; E28-R82 IonicContact OE1-NH2 3.96Å; E28-R82 IonicContact OE2-CZ 2.65Å; E28-R82 IonicContact OE2-NH1 2.61Å; E28-R82 PolarHBondContact OE2-NH1 2.97Å; E28-R82 IonicContact OE2-NH2 3.42Å; E28-R82 PolarHBondContact OE2-NH2 2.71Å | ||
| 29 | V | 40.3 | Very low | 43.5 | Very low | 132 Ų | 132 | 132.5 Ų | 132.5 | 80% | 0.8 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -67.6 | 90 | 151.2 | 178 | 0 | 0 | 0 | 0 | 105.4 | ||
| 30 | Y | 44.4 | Very low | 44.2 | Very low | 210 Ų | 210 | 137.2 Ų | 137.2 | 82% | 0.824 | 70% | 0.703 | S | S | * | * | trans | 146.2 | 89 | 158.7 | -97.8 | -93 | 0 | 0 | 0 | 111.5 | E28 | E28-Y30 PolarHBondContact O-N 3.31Š| ||
| 31 | E | 42.5 | Very low | 44.9 | Very low | 172 Ų | 172 | 138.9 Ų | 138.9 | 80% | 0.804 | 70% | 0.702 | S | S | * | * | trans | -159.6 | 44.8 | 137.7 | -148.1 | -178.1 | 175.2 | 0 | 0 | 110.3 | V33 | E31-V33 VanDerWaalsContact C-N 3.33Š| ||
| 32 | V | 48 | Very low | 45.8 | Very low | 137 Ų | 137 | 136.6 Ų | 136.6 | 83% | 0.83 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -90.8 | 5.3 | 179.5 | -138.7 | 0 | 0 | 0 | 0 | 112.5 | ||
| 33 | V | 49.3 | Very low | 46.4 | Very low | 121 Ų | 121 | 137.6 Ų | 137.6 | 73% | 0.733 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -140.9 | 56.3 | -173.2 | -166.2 | 0 | 0 | 0 | 0 | 111.4 | E31 | E31-V33 VanDerWaalsContact C-N 3.33Š|
| 34 | D | 43.1 | Very low | 47.1 | Very low | 85 Ų | 85 | 137.4 Ų | 137.4 | 46% | 0.455 | 67% | 0.672 | S | S | . | * | trans | -143.9 | 24.1 | 158.5 | -120.4 | -21.8 | 0 | 0 | 0 | 116.4 | T36 E37 Y38 | D34-T36 PolarHBondContact O-N 3.19Å; D34-E37 PolarHBondContact O-N 3.3Å; D34-E37 WeakPolarHBondContact OD1-CB 3.44Å; D34-Y38 PolarHBondContact O-N 3.39Å | ||
| 35 | L | 50.9 | Low | 47.7 | Very low | 151 Ų | 151 | 134 Ų | 134 | 79% | 0.791 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -61.9 | -22.2 | 167 | -105.7 | 72.6 | 0 | 0 | 0 | 112.6 | A39 | L35-A39 PolarHBondContact O-N 2.91Å |
| 36 | T | 51.7 | Low | 48.4 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 67% | 0.669 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -75.1 | -29.9 | 179.6 | -45.1 | 0 | 0 | 0 | 0 | 112.2 | D34 | D34-T36 PolarHBondContact O-N 3.19Å |
| 37 | E | 46.6 | Very low | 49.3 | Very low | 102 Ų | 102 | 134.5 Ų | 134.5 | 48% | 0.477 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -82.4 | -28.7 | 175.4 | -156.8 | 84.8 | -173.4 | 0 | 0 | 111.4 | D34 R40 | D34-E37 PolarHBondContact O-N 3.3Å; D34-E37 WeakPolarHBondContact OD1-CB 3.44Å; E37-R40 PolarHBondContact O-N 2.67Å; E37-R40 IonicContact OE1-CZ 3.3Å; E37-R40 IonicContact OE1-NH1 2.99Å; E37-R40 PolarHBondContact OE1-NH1 2.98Å; E37-R40 IonicContact OE1-NH2 2.74Å; E37-R40 IonicContact OE2-CZ 2.76Å; E37-R40 VanDerWaalsContact OE2-CZ 3.3Å; E37-R40 IonicContact OE2-NH1 2.94Å; E37-R40 PolarHBondContact OE2-NH1 2.76Å; E37-R40 IonicContact OE2-NH2 3.56Å; E37-R40 PolarHBondContact OE2-NH2 3.02Å |
| 38 | Y | 49.9 | Very low | 50.1 | Low | 159 Ų | 159 | 130.4 Ų | 130.4 | 62% | 0.624 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68.1 | -34.2 | 175.5 | -165.1 | -97.7 | 0 | 0 | 0 | 113.3 | D34 R40 | D34-Y38 PolarHBondContact O-N 3.39Å; Y38-R40 PolarHBondContact O-N 3.14Å |
| 39 | A | 54.1 | Low | 50.8 | Low | 61 Ų | 61 | 131.4 Ų | 131.4 | 50% | 0.504 | 63% | 0.629 | S | S | . | * | G | 310 helix | trans | -67.8 | -20 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L35 R41 H42 | L35-A39 PolarHBondContact O-N 2.91Å; A39-R41 VanDerWaalsContact C-N 3.29Å; A39-R41 PolarHBondContact O-N 2.73Å; A39-H42 PolarHBondContact O-CD2 3.16Å |
| 40 | R | 49.2 | Very low | 51.1 | Low | 169 Ų | 169 | 127.4 Ų | 127.4 | 64% | 0.638 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -75.5 | -11.8 | -175.5 | -153.5 | -178.6 | -61.6 | 126.7 | 6.1 | 113.7 | E37 Y38 | E37-R40 PolarHBondContact O-N 2.67Å; E37-R40 IonicContact OE1-CZ 3.3Å; E37-R40 IonicContact OE1-NH1 2.99Å; E37-R40 PolarHBondContact OE1-NH1 2.98Å; E37-R40 IonicContact OE1-NH2 2.74Å; E37-R40 IonicContact OE2-CZ 2.76Å; E37-R40 VanDerWaalsContact OE2-CZ 3.3Å; E37-R40 IonicContact OE2-NH1 2.94Å; E37-R40 PolarHBondContact OE2-NH1 2.76Å; E37-R40 IonicContact OE2-NH2 3.56Å; E37-R40 PolarHBondContact OE2-NH2 3.02Å; Y38-R40 PolarHBondContact O-N 3.14Å |
| 41 | R | 49.4 | Very low | 51.2 | Low | 205 Ų | 205 | 123.2 Ų | 123.2 | 77% | 0.774 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -95.3 | 15.8 | -172.8 | -156.3 | 166.5 | -176.5 | 156.8 | 0.2 | 114.8 | A39 Q43 | A39-R41 VanDerWaalsContact C-N 3.29Å; A39-R41 PolarHBondContact O-N 2.73Å; R41-Q43 PolarHBondContact O-N 3.42Å |
| 42 | H | 49.9 | Very low | 51.3 | Low | 87 Ų | 87 | 120.6 Ų | 120.6 | 40% | 0.403 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.6 | 46.8 | -170.7 | -101.5 | -101.4 | 0 | 0 | 0 | 116.6 | A39 W45 | A39-H42 PolarHBondContact O-CD2 3.16Å; H42-W45 AromaticContact CE1-CD1 3.08Å; H42-W45 AromaticContact CE1-CD2 3.19Å; H42-W45 AromaticContact CE1-CE2 3.11Å; H42-W45 AromaticContact CE1-CE3 3.97Å; H42-W45 AromaticContact CE1-CG 3.2Å; H42-W45 AromaticContact CE1-CZ2 3.83Å; H42-W45 AromaticContact CE1-NE1 3.01Å; H42-W45 PolarHBondContact CE1-NE1 3.02Å; H42-W45 AromaticContact CG-CD1 3.84Å; H42-W45 AromaticContact ND1-CD1 3.15Å; H42-W45 AromaticContact ND1-CD2 3.61Å; H42-W45 AromaticContact ND1-CE2 3.92Å; H42-W45 AromaticContact ND1-CG 3.12Å; H42-W45 AromaticContact ND1-NE1 3.63Å; H42-W45 AromaticContact NE2-CD1 3.67Å; H42-W45 AromaticContact NE2-CE2 3.74Å; H42-W45 AromaticContact NE2-NE1 3.37Å; H42-W45 PolarHBondContact NE2-NE1 3.43Å |
| 43 | Q | 51.2 | Low | 51.3 | Low | 170 Ų | 170 | 120 Ų | 120 | 79% | 0.794 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -18.4 | 160.4 | -74.8 | -78.1 | -75.8 | 0 | 0 | 112.2 | R41 | R41-Q43 PolarHBondContact O-N 3.42Š|
| 44 | W | 59.9 | Low | 51.3 | Low | 105 Ų | 105 | 116.1 Ų | 116.1 | 40% | 0.398 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -84.3 | -23.8 | -175.4 | 71.2 | -91.3 | 0 | 0 | 0 | 114 | S46 R47 V48 | W44-S46 PolarHBondContact O-N 3.07Å; W44-R47 WeakPolarHBondContact O-CB 3.22Å; W44-R47 PolarHBondContact O-N 3.5Å; W44-V48 HydrophobicContact CE3-CG2 3.69Å; W44-V48 HydrophobicContact CZ3-CG2 3.92Å; W44-V48 PolarHBondContact O-N 2.75Å; W44-V48 VanDerWaalsContact O-N 3.12Å |
| 45 | W | 57.5 | Low | 51.7 | Low | 108 Ų | 108 | 118.8 Ų | 118.8 | 41% | 0.409 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -61 | -42.1 | 178.6 | -91.8 | 62.9 | 0 | 0 | 0 | 112.4 | H42 R47 V48 F49 | H42-W45 AromaticContact CE1-CD1 3.08Å; H42-W45 AromaticContact CE1-CD2 3.19Å; H42-W45 AromaticContact CE1-CE2 3.11Å; H42-W45 AromaticContact CE1-CE3 3.97Å; H42-W45 AromaticContact CE1-CG 3.2Å; H42-W45 AromaticContact CE1-CZ2 3.83Å; H42-W45 AromaticContact CE1-NE1 3.01Å; H42-W45 PolarHBondContact CE1-NE1 3.02Å; H42-W45 AromaticContact CG-CD1 3.84Å; H42-W45 AromaticContact ND1-CD1 3.15Å; H42-W45 AromaticContact ND1-CD2 3.61Å; H42-W45 AromaticContact ND1-CE2 3.92Å; H42-W45 AromaticContact ND1-CG 3.12Å; H42-W45 AromaticContact ND1-NE1 3.63Å; H42-W45 AromaticContact NE2-CD1 3.67Å; H42-W45 AromaticContact NE2-CE2 3.74Å; H42-W45 AromaticContact NE2-NE1 3.37Å; H42-W45 PolarHBondContact NE2-NE1 3.43Å; W45-R47 PolarHBondContact O-N 2.74Å; W45-V48 PolarHBondContact O-N 2.91Å; W45-F49 HydrophobicContact CD2-CD2 4.47Å; W45-F49 HydrophobicContact CD2-CE2 4.05Å; W45-F49 AromaticContact CE3-CD2 3.85Å; W45-F49 HydrophobicContact CE3-CD2 3.85Å; W45-F49 AromaticContact CE3-CE2 3.36Å; W45-F49 HydrophobicContact CE3-CE2 3.36Å; W45-F49 HydrophobicContact CE3-CZ 4.36Å; W45-F49 HydrophobicContact CH2-CE2 4.43Å; W45-F49 HydrophobicContact CZ3-CD2 4.44Å; W45-F49 AromaticContact CZ3-CE2 3.58Å; W45-F49 HydrophobicContact CZ3-CE2 3.58Å; W45-F49 HydrophobicContact CZ3-CZ 4.17Å; W45-F49 WeakPolarHBondContact O-CD2 3Å; W45-F49 PolarHBondContact O-N 3.16Å |
| 46 | S | 53.5 | Low | 51.5 | Low | 85 Ų | 85 | 119.6 Ų | 119.6 | 59% | 0.594 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -65.4 | -22.9 | 176.7 | -39.4 | 0 | 0 | 0 | 0 | 112.8 | W44 G50 | W44-S46 PolarHBondContact O-N 3.07Å; S46-G50 WeakPolarHBondContact O-CA 3.47Å; S46-G50 PolarHBondContact O-N 3.38Å |
| 47 | R | 58.6 | Low | 51.4 | Low | 190 Ų | 190 | 116 Ų | 116 | 72% | 0.717 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -81.2 | -35.1 | 176.9 | -123.6 | 176.5 | 177.3 | 94.7 | -1.7 | 112 | W44 W45 | W44-R47 WeakPolarHBondContact O-CB 3.22Å; W44-R47 PolarHBondContact O-N 3.5Å; W45-R47 PolarHBondContact O-N 2.74Å |
| 48 | V | 58 | Low | 51.6 | Low | 51 Ų | 51 | 119.4 Ų | 119.4 | 31% | 0.309 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -76.4 | -38.3 | 176.2 | 173.7 | 0 | 0 | 0 | 0 | 111.5 | W44 W45 M68 | W44-V48 HydrophobicContact CE3-CG2 3.69Å; W44-V48 HydrophobicContact CZ3-CG2 3.92Å; W44-V48 PolarHBondContact O-N 2.75Å; W44-V48 VanDerWaalsContact O-N 3.12Å; W45-V48 PolarHBondContact O-N 2.91Å; V48-M68 HydrophobicContact CG1-CE 4.04Å |
| 49 | F | 58.5 | Low | 51.4 | Low | 150 Ų | 150 | 121 Ų | 121 | 66% | 0.658 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -90.2 | -18.5 | 178.1 | -71.7 | -77.1 | 0 | 0 | 0 | 114.3 | W45 | W45-F49 HydrophobicContact CD2-CD2 4.47Å; W45-F49 HydrophobicContact CD2-CE2 4.05Å; W45-F49 AromaticContact CE3-CD2 3.85Å; W45-F49 HydrophobicContact CE3-CD2 3.85Å; W45-F49 AromaticContact CE3-CE2 3.36Å; W45-F49 HydrophobicContact CE3-CE2 3.36Å; W45-F49 HydrophobicContact CE3-CZ 4.36Å; W45-F49 HydrophobicContact CH2-CE2 4.43Å; W45-F49 HydrophobicContact CZ3-CD2 4.44Å; W45-F49 AromaticContact CZ3-CE2 3.58Å; W45-F49 HydrophobicContact CZ3-CE2 3.58Å; W45-F49 HydrophobicContact CZ3-CZ 4.17Å; W45-F49 WeakPolarHBondContact O-CD2 3Å; W45-F49 PolarHBondContact O-N 3.16Å |
| 50 | G | 45.9 | Very low | 51.2 | Low | 48 Ų | 48 | 127 Ų | 127 | 50% | 0.495 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -107.2 | -9.7 | -169.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | S46 | S46-G50 WeakPolarHBondContact O-CA 3.47Å; S46-G50 PolarHBondContact O-N 3.38Å |
| 51 | N | 46.7 | Very low | 51.7 | Low | 123 Ų | 123 | 121.8 Ų | 121.8 | 66% | 0.658 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -97.1 | -1.1 | -175.2 | -96.6 | 72.4 | 0 | 0 | 0 | 115.7 | ||
| 52 | N | 45.8 | Very low | 52.3 | Low | 117 Ų | 117 | 115.1 Ų | 115.1 | 63% | 0.626 | 60% | 0.599 | S | S | * | * | trans | -107.3 | 10 | -172 | -62.9 | -30.7 | 0 | 0 | 0 | 114.8 | G54 | N52-G54 PolarHBondContact O-N 3.31Š| ||
| 53 | S | 47.8 | Very low | 53.1 | Low | 124 Ų | 124 | 113.7 Ų | 113.7 | 87% | 0.867 | 60% | 0.602 | S | S | * | * | trans | -78.5 | 69 | 171.4 | -59.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 54 | G | 49.8 | Very low | 54 | Low | 40 Ų | 40 | 108.2 Ų | 108.2 | 41% | 0.412 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -139.1 | 129 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | N52 I56 | N52-G54 PolarHBondContact O-N 3.31Å; G54-I56 PolarHBondContact O-N 2.85Å |
| 55 | P | 49.9 | Very low | 54.5 | Low | 141 Ų | 141 | 106.7 Ų | 106.7 | 92% | 0.916 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 17.1 | -164.3 | -15.8 | 30.2 | 0 | 0 | 0 | 116.9 | ||
| 56 | I | 48.3 | Very low | 55.5 | Low | 167 Ų | 167 | 104.1 Ų | 104.1 | 86% | 0.856 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.2 | 1.5 | -173 | -49.8 | 169.2 | 0 | 0 | 0 | 111.2 | G54 | G54-I56 PolarHBondContact O-N 2.85Š|
| 57 | A | 48.7 | Very low | 56.7 | Low | 34 Ų | 34 | 106.5 Ų | 106.5 | 28% | 0.281 | 58% | 0.575 | S | S | . | * | trans | -90.8 | 6.5 | -169.9 | 0 | 0 | 0 | 0 | 0 | 116 | K59 Y60 S61 | A57-K59 VanDerWaalsContact C-N 3.27Å; A57-K59 PolarHBondContact O-N 2.94Å; A57-K59 VanDerWaalsContact O-N 3.14Å; A57-Y60 PolarHBondContact O-N 3.36Å; A57-S61 WeakPolarHBondContact O-CA 3.45Å; A57-S61 WeakPolarHBondContact O-CB 3.05Å; A57-S61 PolarHBondContact O-N 2.94Å | ||
| 58 | E | 51.3 | Low | 57.6 | Low | 173 Ų | 173 | 102.3 Ų | 102.3 | 81% | 0.808 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.1 | -27.8 | -168.6 | -160.1 | 167.3 | 89.8 | 0 | 0 | 114 | ||
| 59 | K | 46.3 | Very low | 58.6 | Low | 193 Ų | 193 | 100.3 Ų | 100.3 | 84% | 0.839 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -97.7 | -24.7 | 177.1 | -59.3 | -153.5 | 178.6 | -164.7 | 0 | 115 | A57 | A57-K59 VanDerWaalsContact C-N 3.27Å; A57-K59 PolarHBondContact O-N 2.94Å; A57-K59 VanDerWaalsContact O-N 3.14Å |
| 60 | Y | 48.6 | Very low | 59.9 | Low | 188 Ų | 188 | 93.9 Ų | 93.9 | 74% | 0.737 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -83.9 | -27.2 | 175.3 | -126.2 | -94.2 | 0 | 0 | 0 | 112.1 | A57 T64 | A57-Y60 PolarHBondContact O-N 3.36Å; Y60-T64 VanDerWaalsContact O-CB 3.27Å; Y60-T64 WeakPolarHBondContact O-CB 3.01Å; Y60-T64 PolarHBondContact O-N 2.88Å; Y60-T64 VanDerWaalsContact O-N 3.1Å; Y60-T64 PolarHBondContact O-OG1 3.42Å |
| 61 | S | 60 | Low | 61.8 | Low | 59 Ų | 59 | 96.1 Ų | 96.1 | 41% | 0.413 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.5 | -48 | 179.3 | -172.2 | 0 | 0 | 0 | 0 | 111.1 | A57 A63 T64 Q65 | A57-S61 WeakPolarHBondContact O-CA 3.45Å; A57-S61 WeakPolarHBondContact O-CB 3.05Å; A57-S61 PolarHBondContact O-N 2.94Å; S61-A63 PolarHBondContact O-N 3.29Å; S61-T64 PolarHBondContact O-N 2.86Å; S61-Q65 VanDerWaalsContact O-CB 3.29Å; S61-Q65 WeakPolarHBondContact O-CB 3.47Å; S61-Q65 PolarHBondContact O-N 2.73Å |
| 62 | V | 62.8 | Low | 63.6 | Low | 64 Ų | 64 | 94.3 Ų | 94.3 | 39% | 0.388 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.2 | -49 | -178.2 | -178.8 | 0 | 0 | 0 | 0 | 111.8 | T64 Q65 I66 V152 | V62-T64 PolarHBondContact O-N 2.89Å; V62-Q65 WeakPolarHBondContact O-CA 3.45Å; V62-Q65 VanDerWaalsContact O-CB 3.26Å; V62-Q65 WeakPolarHBondContact O-CB 3.42Å; V62-Q65 PolarHBondContact O-N 2.78Å; V62-Q65 VanDerWaalsContact O-N 3.13Å; V62-I66 WeakPolarHBondContact O-CG1 3.18Å; V62-I66 PolarHBondContact O-N 2.82Å; V62-V152 HydrophobicContact CG1-CB 3.99Å; V62-V152 HydrophobicContact CG1-CG1 3.45Å; V62-V152 VanDerWaalsContact CG1-CG1 3.45Å |
| 63 | A | 66.4 | Low | 65.3 | Low | 57 Ų | 57 | 88.8 Ų | 88.8 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.8 | -40.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S61 Q65 I66 M67 | S61-A63 PolarHBondContact O-N 3.29Å; A63-Q65 VanDerWaalsContact C-N 3.28Å; A63-Q65 PolarHBondContact O-N 2.8Å; A63-I66 WeakPolarHBondContact O-CB 3.45Å; A63-I66 PolarHBondContact O-N 3.36Å; A63-M67 PolarHBondContact O-N 2.78Å |
| 64 | T | 69.8 | Low | 67.2 | Low | 56 Ų | 56 | 87.9 Ų | 87.9 | 34% | 0.344 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.4 | -35.7 | 173.4 | -56.6 | 0 | 0 | 0 | 0 | 111.2 | Y60 S61 V62 M67 M68 | Y60-T64 VanDerWaalsContact O-CB 3.27Å; Y60-T64 WeakPolarHBondContact O-CB 3.01Å; Y60-T64 PolarHBondContact O-N 2.88Å; Y60-T64 VanDerWaalsContact O-N 3.1Å; Y60-T64 PolarHBondContact O-OG1 3.42Å; S61-T64 PolarHBondContact O-N 2.86Å; V62-T64 PolarHBondContact O-N 2.89Å; T64-M67 PolarHBondContact O-N 3.46Å; T64-M68 PolarHBondContact O-N 2.93Å |
| 65 | Q | 70.1 | Confident | 68.8 | Low | 73 Ų | 73 | 89.6 Ų | 89.6 | 34% | 0.341 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.2 | -47.2 | 174.8 | -135.2 | 177.1 | -23.8 | 0 | 0 | 110.2 | S61 V62 A63 M67 M68 G69 L153 | S61-Q65 VanDerWaalsContact O-CB 3.29Å; S61-Q65 WeakPolarHBondContact O-CB 3.47Å; S61-Q65 PolarHBondContact O-N 2.73Å; V62-Q65 WeakPolarHBondContact O-CA 3.45Å; V62-Q65 VanDerWaalsContact O-CB 3.26Å; V62-Q65 WeakPolarHBondContact O-CB 3.42Å; V62-Q65 PolarHBondContact O-N 2.78Å; V62-Q65 VanDerWaalsContact O-N 3.13Å; A63-Q65 VanDerWaalsContact C-N 3.28Å; A63-Q65 PolarHBondContact O-N 2.8Å; Q65-M67 VanDerWaalsContact C-N 3.26Å; Q65-M67 PolarHBondContact O-N 3.33Å; Q65-M68 PolarHBondContact O-N 2.72Å; Q65-G69 PolarHBondContact O-N 2.78Å; Q65-L153 HydrophobicContact CB-CD1 3.78Å; Q65-L153 HydrophobicContact CG-CD1 3.62Å; Q65-L153 HydrophobicContact CG-CD2 4.05Å; Q65-L153 HydrophobicContact CG-CG 4.36Å; Q65-L153 WeakPolarHBondContact O-CD1 3.48Å |
| 66 | I | 78.6 | Confident | 70.5 | Confident | 54 Ų | 54 | 84.9 Ų | 84.9 | 28% | 0.277 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -55.6 | -45.7 | 173.6 | -54.9 | 166 | 0 | 0 | 0 | 110.1 | V62 A63 G69 G70 V152 | V62-I66 WeakPolarHBondContact O-CG1 3.18Å; V62-I66 PolarHBondContact O-N 2.82Å; A63-I66 WeakPolarHBondContact O-CB 3.45Å; A63-I66 PolarHBondContact O-N 3.36Å; I66-G69 CarbonylContact O-C 3.55Å; I66-G69 PolarHBondContact O-N 3.24Å; I66-G70 PolarHBondContact O-N 3.48Å; I66-V152 HydrophobicContact CD1-CB 4.44Å; I66-V152 HydrophobicContact CD1-CG1 3.04Å; I66-V152 HydrophobicContact CG1-CB 4.39Å; I66-V152 HydrophobicContact CG1-CG1 3.25Å; I66-V152 WeakPolarHBondContact CG1-O 3.37Å |
| 67 | M | 78.1 | Confident | 72.2 | Confident | 135 Ų | 135 | 76.9 Ų | 76.9 | 67% | 0.665 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -63.3 | -46.4 | -177.7 | -170.4 | -176.5 | -172.1 | 0 | 0 | 110.9 | A63 T64 Q65 G69 G70 V71 | A63-M67 PolarHBondContact O-N 2.78Å; T64-M67 PolarHBondContact O-N 3.46Å; Q65-M67 VanDerWaalsContact C-N 3.26Å; Q65-M67 PolarHBondContact O-N 3.33Å; M67-G69 VanDerWaalsContact C-N 3.34Å; M67-G70 PolarHBondContact O-N 2.82Å; M67-V71 WeakPolarHBondContact O-CB 3.2Å; M67-V71 VanDerWaalsContact O-CG2 3.3Å; M67-V71 WeakPolarHBondContact O-CG2 3.22Å; M67-V71 PolarHBondContact O-N 2.9Å |
| 68 | M | 78.3 | Confident | 73.7 | Confident | 101 Ų | 101 | 79.5 Ų | 79.5 | 50% | 0.498 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.1 | -39.5 | 174.1 | -75.3 | -170 | 170.3 | 0 | 0 | 112.1 | V48 T64 Q65 T72 | V48-M68 HydrophobicContact CG1-CE 4.04Å; T64-M68 PolarHBondContact O-N 2.93Å; Q65-M68 PolarHBondContact O-N 2.72Å; M68-T72 WeakPolarHBondContact O-CB 3.09Å; M68-T72 PolarHBondContact O-N 3.16Å; M68-T72 PolarHBondContact O-OG1 3.43Å |
| 69 | G | 79 | Confident | 75.2 | Confident | 10 Ų | 10 | 74.9 Ų | 74.9 | 10% | 0.103 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63 | -43.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q65 I66 M67 G73 F157 | Q65-G69 PolarHBondContact O-N 2.78Å; I66-G69 CarbonylContact O-C 3.55Å; I66-G69 PolarHBondContact O-N 3.24Å; M67-G69 VanDerWaalsContact C-N 3.34Å; G69-G73 WeakPolarHBondContact O-CA 3.18Å; G69-G73 PolarHBondContact O-N 3.06Å; G69-F157 VanDerWaalsContact O-CA 3.28Å; G69-F157 WeakPolarHBondContact O-CA 3.19Å; G69-F157 WeakPolarHBondContact O-CD2 3.28Å |
| 70 | G | 86.1 | Confident | 77 | Confident | 15 Ų | 15 | 71.6 Ų | 71.6 | 16% | 0.155 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -73.2 | -40 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | I66 M67 G73 W74 G156 G160 | I66-G70 PolarHBondContact O-N 3.48Å; M67-G70 PolarHBondContact O-N 2.82Å; G70-G73 PolarHBondContact O-N 2.82Å; G70-W74 WeakPolarHBondContact O-CB 3.32Å; G70-W74 PolarHBondContact O-N 3.35Å; G70-G156 WeakPolarHBondContact CA-O 3.43Å; G70-G160 WeakPolarHBondContact O-CA 3.33Å |
| 71 | V | 84.6 | Confident | 78.4 | Confident | 94 Ų | 94 | 64.8 Ų | 64.8 | 57% | 0.57 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -65.5 | -42.3 | 173.2 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | M67 W74 C75 | M67-V71 WeakPolarHBondContact O-CB 3.2Å; M67-V71 VanDerWaalsContact O-CG2 3.3Å; M67-V71 WeakPolarHBondContact O-CG2 3.22Å; M67-V71 PolarHBondContact O-N 2.9Å; V71-W74 PolarHBondContact O-N 3.5Å; V71-C75 WeakPolarHBondContact O-CB 3.5Å; V71-C75 PolarHBondContact O-N 3.01Å |
| 72 | T | 85.3 | Confident | 79.2 | Confident | 86 Ų | 86 | 66.8 Ų | 66.8 | 53% | 0.528 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.4 | -40.1 | 175.9 | -54.7 | 0 | 0 | 0 | 0 | 111.3 | M68 C75 A76 | M68-T72 WeakPolarHBondContact O-CB 3.09Å; M68-T72 PolarHBondContact O-N 3.16Å; M68-T72 PolarHBondContact O-OG1 3.43Å; T72-C75 PolarHBondContact O-N 2.97Å; T72-A76 WeakPolarHBondContact O-CB 3.49Å; T72-A76 PolarHBondContact O-N 3.05Å |
| 73 | G | 82.5 | Confident | 80 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.4 | -49.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | G69 G70 C75 A76 G77 G160 F161 | G69-G73 WeakPolarHBondContact O-CA 3.18Å; G69-G73 PolarHBondContact O-N 3.06Å; G70-G73 PolarHBondContact O-N 2.82Å; G73-C75 PolarHBondContact O-N 3.48Å; G73-A76 PolarHBondContact O-N 2.72Å; G73-G77 PolarHBondContact O-N 3.25Å; G73-G160 VanDerWaalsContact C-C 3.46Å; G73-F161 VanDerWaalsContact C-CA 3.43Å; G73-F161 VanDerWaalsContact C-N 3.29Å; G73-F161 WeakPolarHBondContact O-CA 3.29Å |
| 74 | W | 86.6 | Confident | 80.7 | Confident | 105 Ų | 105 | 67.4 Ų | 67.4 | 40% | 0.398 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -56.4 | -49.3 | 177 | -177.5 | -67.3 | 0 | 0 | 0 | 111.9 | G70 V71 A76 G77 Y78 G160 L163 G164 S167 | G70-W74 WeakPolarHBondContact O-CB 3.32Å; G70-W74 PolarHBondContact O-N 3.35Å; V71-W74 PolarHBondContact O-N 3.5Å; W74-A76 VanDerWaalsContact C-N 3.32Å; W74-A76 PolarHBondContact O-N 2.92Å; W74-G77 PolarHBondContact O-N 3.43Å; W74-Y78 PolarHBondContact O-N 2.85Å; W74-G160 WeakPolarHBondContact CA-O 3.26Å; W74-G160 PolarHBondContact N-O 3.45Å; W74-L163 HydrophobicContact CE3-CB 3.7Å; W74-L163 HydrophobicContact CE3-CD2 3.58Å; W74-L163 HydrophobicContact CE3-CG 3.58Å; W74-L163 HydrophobicContact CH2-CD2 4.24Å; W74-L163 HydrophobicContact CH2-CG 3.79Å; W74-L163 WeakPolarHBondContact CH2-O 3.48Å; W74-L163 HydrophobicContact CZ3-CB 3.74Å; W74-L163 HydrophobicContact CZ3-CD1 4.32Å; W74-L163 HydrophobicContact CZ3-CD2 3.16Å; W74-L163 HydrophobicContact CZ3-CG 3.08Å; W74-G164 WeakPolarHBondContact O-CA 3.32Å; W74-S167 WeakPolarHBondContact CZ2-OG 3.5Å |
| 75 | C | 83.3 | Confident | 81.2 | Confident | 77 Ų | 77 | 71.1 Ų | 71.1 | 52% | 0.52 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60 | -43.8 | 178.5 | -167.3 | 0 | 0 | 0 | 0 | 111.5 | V71 T72 G73 G77 Y78 V79 | V71-C75 WeakPolarHBondContact O-CB 3.5Å; V71-C75 PolarHBondContact O-N 3.01Å; T72-C75 PolarHBondContact O-N 2.97Å; G73-C75 PolarHBondContact O-N 3.48Å; C75-G77 PolarHBondContact O-N 3.38Å; C75-Y78 PolarHBondContact O-N 2.9Å; C75-V79 WeakPolarHBondContact O-CG2 3.24Å; C75-V79 PolarHBondContact O-N 2.81Å; C75-V79 VanDerWaalsContact O-N 3.15Å |
| 76 | A | 86.2 | Confident | 81.8 | Confident | 41 Ų | 41 | 73.4 Ų | 73.4 | 34% | 0.339 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64 | -38.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | T72 G73 W74 F80 F161 | T72-A76 WeakPolarHBondContact O-CB 3.49Å; T72-A76 PolarHBondContact O-N 3.05Å; G73-A76 PolarHBondContact O-N 2.72Å; W74-A76 VanDerWaalsContact C-N 3.32Å; W74-A76 PolarHBondContact O-N 2.92Å; A76-F80 VanDerWaalsContact O-CB 3.29Å; A76-F80 WeakPolarHBondContact O-CB 3.5Å; A76-F80 PolarHBondContact O-N 3.01Å; A76-F161 HydrophobicContact CB-CD2 4.15Å |
| 77 | G | 83.1 | Confident | 82.2 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.9 | -45.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | G73 W74 C75 V79 F80 Q81 G164 L165 | G73-G77 PolarHBondContact O-N 3.25Å; W74-G77 PolarHBondContact O-N 3.43Å; C75-G77 PolarHBondContact O-N 3.38Å; G77-V79 PolarHBondContact O-N 2.92Å; G77-F80 WeakPolarHBondContact O-CB 3.42Å; G77-F80 PolarHBondContact O-N 3.5Å; G77-F80 VanDerWaalsContact O-N 3.15Å; G77-Q81 PolarHBondContact O-N 3.37Å; G77-G164 CarbonylContact C-O 3.31Å; G77-G164 VanDerWaalsContact C-O 3.3Å; G77-L165 WeakPolarHBondContact O-CD2 3.14Å |
| 78 | Y | 80.8 | Confident | 82.5 | Confident | 89 Ų | 89 | 69.4 Ų | 69.4 | 35% | 0.349 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 178.9 | -178.9 | -100.2 | 0 | 0 | 0 | 111.5 | W74 C75 F80 Q81 R82 G164 | W74-Y78 PolarHBondContact O-N 2.85Å; C75-Y78 PolarHBondContact O-N 2.9Å; Y78-F80 PolarHBondContact O-N 3.33Å; Y78-Q81 PolarHBondContact O-N 3.28Å; Y78-R82 WeakPolarHBondContact O-CG 3.44Å; Y78-R82 PolarHBondContact O-N 3.4Å; Y78-R82 PolarHBondContact OH-NH2 2.8Å; Y78-G164 WeakPolarHBondContact CA-O 3.32Å; Y78-G164 VanDerWaalsContact N-C 3.3Å; Y78-G164 PolarHBondContact N-O 3.5Å; Y78-G164 VanDerWaalsContact N-O 3.12Å |
| 79 | V | 83.1 | Confident | 82.8 | Confident | 75 Ų | 75 | 69.4 Ų | 69.4 | 46% | 0.455 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.2 | -39.5 | 175.3 | 176.3 | 0 | 0 | 0 | 0 | 111.5 | C75 G77 Q81 R82 I83 | C75-V79 WeakPolarHBondContact O-CG2 3.24Å; C75-V79 PolarHBondContact O-N 2.81Å; C75-V79 VanDerWaalsContact O-N 3.15Å; G77-V79 PolarHBondContact O-N 2.92Å; V79-Q81 VanDerWaalsContact C-N 3.32Å; V79-Q81 PolarHBondContact O-N 2.98Å; V79-R82 WeakPolarHBondContact O-CB 3.43Å; V79-R82 PolarHBondContact O-N 2.81Å; V79-I83 HydrophobicContact CG1-CD1 3.93Å; V79-I83 PolarHBondContact O-N 3.23Å; V79-I83 VanDerWaalsContact O-N 3.09Å |
| 80 | F | 83.4 | Confident | 83.3 | Confident | 124 Ų | 124 | 72.1 Ų | 72.1 | 54% | 0.544 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.3 | -37.4 | 177.8 | -174.1 | -88.2 | 0 | 0 | 0 | 112.2 | A76 G77 Y78 R82 I83 G84 F161 L165 | A76-F80 VanDerWaalsContact O-CB 3.29Å; A76-F80 WeakPolarHBondContact O-CB 3.5Å; A76-F80 PolarHBondContact O-N 3.01Å; G77-F80 WeakPolarHBondContact O-CB 3.42Å; G77-F80 PolarHBondContact O-N 3.5Å; G77-F80 VanDerWaalsContact O-N 3.15Å; Y78-F80 PolarHBondContact O-N 3.33Å; F80-R82 VanDerWaalsContact C-N 3.35Å; F80-I83 PolarHBondContact O-N 3.3Å; F80-G84 WeakPolarHBondContact O-CA 3.29Å; F80-G84 PolarHBondContact O-N 3.1Å; F80-F161 HydrophobicContact CB-CE2 4.19Å; F80-F161 HydrophobicContact CB-CZ 4.41Å; F80-F161 HydrophobicContact CD1-CZ 4.48Å; F80-F161 HydrophobicContact CG-CZ 4.27Å; F80-L165 HydrophobicContact CB-CD2 4.01Å; F80-L165 HydrophobicContact CD1-CD2 3.4Å; F80-L165 HydrophobicContact CE1-CD2 4.26Å; F80-L165 HydrophobicContact CG-CD2 4.09Å |
| 81 | Q | 78 | Confident | 83.3 | Confident | 46 Ų | 46 | 77.6 Ų | 77.6 | 22% | 0.215 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -65.3 | -37.3 | 174.1 | -99.2 | -177 | -40.6 | 0 | 0 | 112.9 | G77 Y78 V79 G84 K85 G164 L165 A166 S167 | G77-Q81 PolarHBondContact O-N 3.37Å; Y78-Q81 PolarHBondContact O-N 3.28Å; V79-Q81 VanDerWaalsContact C-N 3.32Å; V79-Q81 PolarHBondContact O-N 2.98Å; Q81-G84 PolarHBondContact O-N 3.46Å; Q81-K85 WeakPolarHBondContact O-CB 3.39Å; Q81-K85 WeakPolarHBondContact O-CG 3.12Å; Q81-K85 PolarHBondContact O-N 3.42Å; Q81-G164 PolarHBondContact OE1-O 3.41Å; Q81-L165 VanDerWaalsContact CD-CA 3.42Å; Q81-L165 HydrophobicContact CG-CB 4.43Å; Q81-L165 HydrophobicContact CG-CD2 3.86Å; Q81-L165 VanDerWaalsContact OE1-C 3.25Å; Q81-L165 VanDerWaalsContact OE1-CA 3.25Å; Q81-A166 VanDerWaalsContact CD-N 3.27Å; Q81-S167 PolarHBondContact OE1-O 2.82Å |
| 82 | R | 77.9 | Confident | 83.4 | Confident | 100 Ų | 100 | 75 Ų | 75 | 38% | 0.377 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.4 | -49.9 | 175.6 | -67.5 | -68.6 | -173.1 | 160.2 | 6.8 | 111.2 | E28 Y78 V79 F80 G84 I86 | E28-R82 IonicContact OE1-CZ 3.26Å; E28-R82 IonicContact OE1-NH2 3.96Å; E28-R82 IonicContact OE2-CZ 2.65Å; E28-R82 IonicContact OE2-NH1 2.61Å; E28-R82 PolarHBondContact OE2-NH1 2.97Å; E28-R82 IonicContact OE2-NH2 3.42Å; E28-R82 PolarHBondContact OE2-NH2 2.71Å; Y78-R82 WeakPolarHBondContact O-CG 3.44Å; Y78-R82 PolarHBondContact O-N 3.4Å; Y78-R82 PolarHBondContact OH-NH2 2.8Å; V79-R82 WeakPolarHBondContact O-CB 3.43Å; V79-R82 PolarHBondContact O-N 2.81Å; F80-R82 VanDerWaalsContact C-N 3.35Å; R82-G84 VanDerWaalsContact C-N 3.34Å; R82-I86 WeakPolarHBondContact O-CD1 3.17Å; R82-I86 WeakPolarHBondContact O-CG1 3.31Å; R82-I86 PolarHBondContact O-N 3.4Å |
| 83 | I | 78.9 | Confident | 83.4 | Confident | 107 Ų | 107 | 72.2 Ų | 72.2 | 55% | 0.549 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -70.7 | -34.9 | 178.5 | -57 | 168.3 | 0 | 0 | 0 | 110.8 | V79 F80 I86 A87 | V79-I83 HydrophobicContact CG1-CD1 3.93Å; V79-I83 PolarHBondContact O-N 3.23Å; V79-I83 VanDerWaalsContact O-N 3.09Å; F80-I83 PolarHBondContact O-N 3.3Å; I83-I86 PolarHBondContact O-N 2.73Å; I83-A87 VanDerWaalsContact O-CB 3.27Å; I83-A87 WeakPolarHBondContact O-CB 3.48Å; I83-A87 PolarHBondContact O-N 3.5Å |
| 84 | G | 80.6 | Confident | 83.5 | Confident | 28 Ų | 28 | 74.1 Ų | 74.1 | 29% | 0.289 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F80 Q81 R82 A87 A88 | F80-G84 WeakPolarHBondContact O-CA 3.29Å; F80-G84 PolarHBondContact O-N 3.1Å; Q81-G84 PolarHBondContact O-N 3.46Å; R82-G84 VanDerWaalsContact C-N 3.34Å; G84-A87 PolarHBondContact O-N 2.91Å; G84-A88 VanDerWaalsContact O-CB 3.27Å; G84-A88 WeakPolarHBondContact O-CB 3.27Å; G84-A88 PolarHBondContact O-N 2.73Å |
| 85 | K | 81.2 | Confident | 83.4 | Confident | 133 Ų | 133 | 75 Ų | 75 | 58% | 0.578 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -62.5 | -45 | 173 | -73.8 | 174.3 | -179.1 | 173.3 | 0 | 110.9 | Q81 A87 A88 T89 | Q81-K85 WeakPolarHBondContact O-CB 3.39Å; Q81-K85 WeakPolarHBondContact O-CG 3.12Å; Q81-K85 PolarHBondContact O-N 3.42Å; K85-A87 PolarHBondContact O-N 2.8Å; K85-A88 PolarHBondContact O-N 2.88Å; K85-T89 WeakPolarHBondContact O-CB 3.21Å; K85-T89 PolarHBondContact O-N 3.22Å; K85-T89 PolarHBondContact O-OG1 2.82Å |
| 86 | I | 82.5 | Confident | 83.4 | Confident | 121 Ų | 121 | 76.2 Ų | 76.2 | 62% | 0.621 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -63.3 | -43.8 | 177.1 | -63.9 | 167.2 | 0 | 0 | 0 | 111 | R82 I83 T89 A90 | R82-I86 WeakPolarHBondContact O-CD1 3.17Å; R82-I86 WeakPolarHBondContact O-CG1 3.31Å; R82-I86 PolarHBondContact O-N 3.4Å; I83-I86 PolarHBondContact O-N 2.73Å; I86-T89 PolarHBondContact O-N 3.46Å; I86-A90 VanDerWaalsContact O-CB 3.3Å; I86-A90 WeakPolarHBondContact O-CB 3.39Å; I86-A90 PolarHBondContact O-N 3.29Å |
| 87 | A | 86.9 | Confident | 83.1 | Confident | 43 Ų | 43 | 80.1 Ų | 80.1 | 36% | 0.355 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.2 | -43.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I83 G84 K85 A90 I91 | I83-A87 VanDerWaalsContact O-CB 3.27Å; I83-A87 WeakPolarHBondContact O-CB 3.48Å; I83-A87 PolarHBondContact O-N 3.5Å; G84-A87 PolarHBondContact O-N 2.91Å; K85-A87 PolarHBondContact O-N 2.8Å; A87-A90 PolarHBondContact O-N 3.32Å; A87-I91 WeakPolarHBondContact O-CB 3.29Å; A87-I91 WeakPolarHBondContact O-CG1 3.46Å; A87-I91 PolarHBondContact O-N 3.35Å |
| 88 | A | 84.3 | Confident | 82.8 | Confident | 62 Ų | 62 | 84 Ų | 84 | 51% | 0.512 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | G84 K85 I91 G92 | G84-A88 VanDerWaalsContact O-CB 3.27Å; G84-A88 WeakPolarHBondContact O-CB 3.27Å; G84-A88 PolarHBondContact O-N 2.73Å; K85-A88 PolarHBondContact O-N 2.88Å; A88-I91 PolarHBondContact O-N 3.43Å; A88-G92 WeakPolarHBondContact O-CA 3.3Å; A88-G92 PolarHBondContact O-N 2.89Å |
| 89 | T | 85.3 | Confident | 82.4 | Confident | 102 Ų | 102 | 84.9 Ų | 84.9 | 63% | 0.626 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -67.8 | -38.9 | 175.2 | -58.4 | 0 | 0 | 0 | 0 | 112.1 | K85 I86 G93 | K85-T89 WeakPolarHBondContact O-CB 3.21Å; K85-T89 PolarHBondContact O-N 3.22Å; K85-T89 PolarHBondContact O-OG1 2.82Å; I86-T89 PolarHBondContact O-N 3.46Å; T89-G93 VanDerWaalsContact O-CA 3.29Å; T89-G93 WeakPolarHBondContact O-CA 3.49Å; T89-G93 PolarHBondContact O-N 2.85Å |
| 90 | A | 88.2 | Confident | 81.9 | Confident | 67 Ų | 67 | 86.1 Ų | 86.1 | 55% | 0.554 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.5 | -42.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I86 A87 G94 | I86-A90 VanDerWaalsContact O-CB 3.3Å; I86-A90 WeakPolarHBondContact O-CB 3.39Å; I86-A90 PolarHBondContact O-N 3.29Å; A87-A90 PolarHBondContact O-N 3.32Å; A90-G94 WeakPolarHBondContact O-CA 3.45Å; A90-G94 PolarHBondContact O-N 3.44Å |
| 91 | I | 87.2 | Confident | 81.1 | Confident | 129 Ų | 129 | 82.6 Ų | 82.6 | 66% | 0.662 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -70.3 | -47.2 | 177.5 | -65.8 | 166.7 | 0 | 0 | 0 | 110.4 | A87 A88 F95 | A87-I91 WeakPolarHBondContact O-CB 3.29Å; A87-I91 WeakPolarHBondContact O-CG1 3.46Å; A87-I91 PolarHBondContact O-N 3.35Å; A88-I91 PolarHBondContact O-N 3.43Å; I91-F95 WeakPolarHBondContact O-CB 3.17Å; I91-F95 PolarHBondContact O-N 3.25Å |
| 92 | G | 85.6 | Confident | 80.3 | Confident | 39 Ų | 39 | 85 Ų | 85 | 40% | 0.402 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.7 | -42.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A88 F95 L96 | A88-G92 WeakPolarHBondContact O-CA 3.3Å; A88-G92 PolarHBondContact O-N 2.89Å; G92-F95 PolarHBondContact O-N 3.45Å; G92-L96 WeakPolarHBondContact O-CB 3.16Å; G92-L96 PolarHBondContact O-N 3.47Å |
| 93 | G | 85.8 | Confident | 79.2 | Confident | 29 Ų | 29 | 88.6 Ų | 88.6 | 30% | 0.299 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.4 | -41.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T89 F95 L96 L97 | T89-G93 VanDerWaalsContact O-CA 3.29Å; T89-G93 WeakPolarHBondContact O-CA 3.49Å; T89-G93 PolarHBondContact O-N 2.85Å; G93-F95 VanDerWaalsContact C-N 3.3Å; G93-F95 PolarHBondContact O-N 2.84Å; G93-L96 PolarHBondContact O-N 2.95Å; G93-L97 WeakPolarHBondContact O-CB 3.44Å; G93-L97 WeakPolarHBondContact O-CG 3.45Å; G93-L97 PolarHBondContact O-N 2.86Å |
| 94 | G | 84.8 | Confident | 78.1 | Confident | 40 Ų | 40 | 88.4 Ų | 88.4 | 41% | 0.412 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.9 | -40.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A90 L98 | A90-G94 WeakPolarHBondContact O-CA 3.45Å; A90-G94 PolarHBondContact O-N 3.44Å; G94-L98 WeakPolarHBondContact O-CB 3.23Å; G94-L98 PolarHBondContact O-N 2.95Å |
| 95 | F | 84.3 | Confident | 76.7 | Confident | 124 Ų | 124 | 90.5 Ų | 90.5 | 54% | 0.544 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.8 | -39.6 | 175.7 | -174 | -109 | 0 | 0 | 0 | 112.8 | I91 G92 G93 L98 Q99 | I91-F95 WeakPolarHBondContact O-CB 3.17Å; I91-F95 PolarHBondContact O-N 3.25Å; G92-F95 PolarHBondContact O-N 3.45Å; G93-F95 VanDerWaalsContact C-N 3.3Å; G93-F95 PolarHBondContact O-N 2.84Å; F95-L98 PolarHBondContact O-N 3.35Å; F95-Q99 VanDerWaalsContact CD1-NE2 3.33Å; F95-Q99 HydrophobicContact CE1-CG 4.38Å; F95-Q99 HydrophobicContact CZ-CG 4.49Å; F95-Q99 WeakPolarHBondContact O-CG 3.34Å; F95-Q99 PolarHBondContact O-N 2.82Å |
| 96 | L | 84.6 | Confident | 75.1 | Confident | 102 Ų | 102 | 94.2 Ų | 94.2 | 53% | 0.534 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.7 | -46.4 | 176.6 | -177.2 | 64.1 | 0 | 0 | 0 | 111.7 | G92 G93 L98 Q99 I100 | G92-L96 WeakPolarHBondContact O-CB 3.16Å; G92-L96 PolarHBondContact O-N 3.47Å; G93-L96 PolarHBondContact O-N 2.95Å; L96-L98 VanDerWaalsContact C-N 3.25Å; L96-L98 PolarHBondContact O-N 3.45Å; L96-Q99 WeakPolarHBondContact O-CB 3.27Å; L96-Q99 PolarHBondContact O-N 2.88Å; L96-Q99 VanDerWaalsContact O-N 3.16Å; L96-I100 HydrophobicContact CG-CD1 4.26Å; L96-I100 WeakPolarHBondContact O-CG1 3.39Å; L96-I100 PolarHBondContact O-N 3.06Å |
| 97 | L | 79.5 | Confident | 73.8 | Confident | 122 Ų | 122 | 92.8 Ų | 92.8 | 64% | 0.639 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.7 | -37.2 | 173.8 | -74.7 | 172 | 0 | 0 | 0 | 111.5 | G93 I100 A101 | G93-L97 WeakPolarHBondContact O-CB 3.44Å; G93-L97 WeakPolarHBondContact O-CG 3.45Å; G93-L97 PolarHBondContact O-N 2.86Å; L97-I100 PolarHBondContact O-N 3.29Å; L97-A101 VanDerWaalsContact O-CB 3.22Å; L97-A101 WeakPolarHBondContact O-CB 3.43Å; L97-A101 PolarHBondContact O-N 2.7Å |
| 98 | L | 76.8 | Confident | 72 | Confident | 83 Ų | 83 | 99.5 Ų | 99.5 | 44% | 0.435 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66 | -39 | 175.5 | -171.1 | 66.3 | 0 | 0 | 0 | 111.8 | G94 F95 L96 N102 V109 | G94-L98 WeakPolarHBondContact O-CB 3.23Å; G94-L98 PolarHBondContact O-N 2.95Å; F95-L98 PolarHBondContact O-N 3.35Å; L96-L98 VanDerWaalsContact C-N 3.25Å; L96-L98 PolarHBondContact O-N 3.45Å; L98-N102 WeakPolarHBondContact O-CB 3.34Å; L98-N102 PolarHBondContact O-N 3.17Å; L98-V109 HydrophobicContact CD1-CG2 3.99Å |
| 99 | Q | 72.1 | Confident | 70.7 | Confident | 107 Ų | 107 | 98.2 Ų | 98.2 | 50% | 0.5 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.1 | -44.8 | 174.4 | -76.6 | -171.1 | 68.7 | 0 | 0 | 112.3 | F95 L96 N102 H103 | F95-Q99 VanDerWaalsContact CD1-NE2 3.33Å; F95-Q99 HydrophobicContact CE1-CG 4.38Å; F95-Q99 HydrophobicContact CZ-CG 4.49Å; F95-Q99 WeakPolarHBondContact O-CG 3.34Å; F95-Q99 PolarHBondContact O-N 2.82Å; L96-Q99 WeakPolarHBondContact O-CB 3.27Å; L96-Q99 PolarHBondContact O-N 2.88Å; L96-Q99 VanDerWaalsContact O-N 3.16Å; Q99-N102 PolarHBondContact O-N 2.61Å; Q99-H103 PolarHBondContact O-N 3.48Å; Q99-H103 VanDerWaalsContact O-N 3.12Å |
| 100 | I | 71.9 | Confident | 69.4 | Low | 100 Ų | 100 | 97.1 Ų | 97.1 | 51% | 0.513 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.1 | -42.9 | 178.7 | -64.7 | 166.6 | 0 | 0 | 0 | 110.9 | L96 L97 N102 H103 S104 | L96-I100 HydrophobicContact CG-CD1 4.26Å; L96-I100 WeakPolarHBondContact O-CG1 3.39Å; L96-I100 PolarHBondContact O-N 3.06Å; L97-I100 PolarHBondContact O-N 3.29Å; I100-N102 VanDerWaalsContact C-N 3.28Å; I100-N102 PolarHBondContact O-N 2.82Å; I100-H103 PolarHBondContact O-N 3.37Å; I100-S104 PolarHBondContact O-N 2.78Å |
| 101 | A | 66.9 | Low | 68.3 | Low | 51 Ų | 51 | 102.4 Ų | 102.4 | 42% | 0.421 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.1 | -34.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L97 | L97-A101 VanDerWaalsContact O-CB 3.22Å; L97-A101 WeakPolarHBondContact O-CB 3.43Å; L97-A101 PolarHBondContact O-N 2.7Å |
| 102 | N | 60.4 | Low | 67.1 | Low | 96 Ų | 96 | 104.4 Ų | 104.4 | 51% | 0.513 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -74.3 | -30.5 | 178.5 | -161.9 | 43.4 | 0 | 0 | 0 | 112.6 | L98 Q99 I100 | L98-N102 WeakPolarHBondContact O-CB 3.34Å; L98-N102 PolarHBondContact O-N 3.17Å; Q99-N102 PolarHBondContact O-N 2.61Å; I100-N102 VanDerWaalsContact C-N 3.28Å; I100-N102 PolarHBondContact O-N 2.82Å |
| 103 | H | 55.9 | Low | 66.2 | Low | 175 Ų | 175 | 108.8 Ų | 108.8 | 81% | 0.81 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -83 | -25.6 | 179 | -165.6 | -83.1 | 0 | 0 | 0 | 113.8 | Q99 I100 | Q99-H103 PolarHBondContact O-N 3.48Å; Q99-H103 VanDerWaalsContact O-N 3.12Å; I100-H103 PolarHBondContact O-N 3.37Å |
| 104 | S | 55.3 | Low | 65.5 | Low | 103 Ų | 103 | 110.7 Ų | 110.7 | 72% | 0.72 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | 4.7 | 177.7 | -93 | 0 | 0 | 0 | 0 | 115 | I100 | I100-S104 PolarHBondContact O-N 2.78Š|
| 105 | G | 51.5 | Low | 65 | Low | 72 Ų | 72 | 115.4 Ų | 115.4 | 74% | 0.742 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79.7 | 19 | 165 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 106 | Y | 48.1 | Very low | 64.9 | Low | 212 Ų | 212 | 116.8 Ų | 116.8 | 83% | 0.831 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -88.1 | -24.2 | -176.3 | -154.2 | -106.4 | 0 | 0 | 0 | 114.6 | ||
| 107 | V | 55.1 | Low | 64.8 | Low | 90 Ų | 90 | 117 Ų | 117 | 55% | 0.545 | 59% | 0.593 | S | S | . | * | trans | -152.3 | 116.7 | -178.1 | -177.4 | 0 | 0 | 0 | 0 | 109.8 | V109 | V107-V109 PolarHBondContact O-N 3.12Š| ||
| 108 | Q | 48.2 | Very low | 64.9 | Low | 185 Ų | 185 | 115.2 Ų | 115.2 | 86% | 0.864 | 59% | 0.587 | S | S | * | * | trans | -51.2 | 107.4 | 153.1 | -77.8 | -179.8 | 65 | 0 | 0 | 106 | D110 | Q108-D110 VanDerWaalsContact C-N 3.28Å; Q108-D110 PolarHBondContact O-N 3.45Å | ||
| 109 | V | 57.5 | Low | 65.4 | Low | 34 Ų | 34 | 115.5 Ų | 115.5 | 21% | 0.206 | 59% | 0.589 | C | S | . | * | trans | -52.9 | 105.3 | 171.7 | 175.8 | 0 | 0 | 0 | 0 | 105 | L98 V107 W111 | L98-V109 HydrophobicContact CD1-CG2 3.99Å; V107-V109 PolarHBondContact O-N 3.12Å; V109-W111 HydrophobicContact CG1-CD2 4.27Å; V109-W111 HydrophobicContact CG1-CG 4.21Å; V109-W111 VanDerWaalsContact O-CD1 3.25Å; V109-W111 PolarHBondContact O-N 3.18Å | ||
| 110 | D | 58.6 | Low | 66.2 | Low | 79 Ų | 79 | 116.5 Ų | 116.5 | 42% | 0.422 | 59% | 0.592 | S | S | . | * | trans | -72.3 | 72 | -175 | -147.6 | -21.8 | 0 | 0 | 0 | 104.7 | Q108 K112 K113 V114 | Q108-D110 VanDerWaalsContact C-N 3.28Å; Q108-D110 PolarHBondContact O-N 3.45Å; D110-K112 PolarHBondContact O-N 3.15Å; D110-K113 HydrophobicContact CB-CB 4.35Å; D110-K113 HydrophobicContact CB-CD 4.42Å; D110-K113 HydrophobicContact CB-CG 4.36Å; D110-K113 WeakPolarHBondContact O-CA 3.46Å; D110-K113 PolarHBondContact O-N 2.94Å; D110-K113 WeakPolarHBondContact OD2-CE 3.33Å; D110-K113 IonicContact OD2-NZ 3.79Å; D110-V114 PolarHBondContact O-N 3.26Å; D110-V114 VanDerWaalsContact O-N 3.14Å | ||
| 111 | W | 63.8 | Low | 66.9 | Low | 178 Ų | 178 | 114.1 Ų | 114.1 | 67% | 0.674 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -54.6 | -25.4 | -179.7 | -83.2 | 102.2 | 0 | 0 | 0 | 109.7 | V109 E115 | V109-W111 HydrophobicContact CG1-CD2 4.27Å; V109-W111 HydrophobicContact CG1-CG 4.21Å; V109-W111 VanDerWaalsContact O-CD1 3.25Å; V109-W111 PolarHBondContact O-N 3.18Å; W111-E115 WeakPolarHBondContact O-CA 3.47Å; W111-E115 WeakPolarHBondContact O-CB 3.27Å; W111-E115 PolarHBondContact O-N 3.49Å |
| 112 | K | 62.1 | Low | 67.7 | Low | 171 Ų | 171 | 118.6 Ų | 118.6 | 74% | 0.743 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62 | -39.4 | 169.2 | -87.1 | -171.3 | 172 | 170.9 | 0 | 113.9 | D110 K116 | D110-K112 PolarHBondContact O-N 3.15Å; K112-K116 WeakPolarHBondContact O-CB 3.35Å; K112-K116 PolarHBondContact O-N 2.83Å; K112-K116 VanDerWaalsContact O-N 3.07Å |
| 113 | K | 68 | Low | 69.1 | Low | 132 Ų | 132 | 121 Ų | 121 | 57% | 0.574 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -75 | -44.9 | 175.1 | -72.4 | -174.6 | -175.2 | 171.3 | 0 | 111.3 | D110 E115 K116 D117 | D110-K113 HydrophobicContact CB-CB 4.35Å; D110-K113 HydrophobicContact CB-CD 4.42Å; D110-K113 HydrophobicContact CB-CG 4.36Å; D110-K113 WeakPolarHBondContact O-CA 3.46Å; D110-K113 PolarHBondContact O-N 2.94Å; D110-K113 WeakPolarHBondContact OD2-CE 3.33Å; D110-K113 IonicContact OD2-NZ 3.79Å; K113-E115 PolarHBondContact O-N 3.49Å; K113-K116 CarbonylContact O-C 3.58Å; K113-K116 PolarHBondContact O-N 2.89Å; K113-K116 VanDerWaalsContact O-N 3.16Å; K113-D117 WeakPolarHBondContact O-CB 3.31Å; K113-D117 PolarHBondContact O-N 3.36Å |
| 114 | V | 70.8 | Confident | 70.5 | Confident | 69 Ų | 69 | 118.2 Ų | 118.2 | 42% | 0.418 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61 | -47.8 | 177.4 | 177.4 | 0 | 0 | 0 | 0 | 111 | D110 K116 D117 V118 | D110-V114 PolarHBondContact O-N 3.26Å; D110-V114 VanDerWaalsContact O-N 3.14Å; V114-K116 VanDerWaalsContact C-N 3.3Å; V114-K116 PolarHBondContact O-N 3.36Å; V114-D117 PolarHBondContact O-N 3.42Å; V114-V118 HydrophobicContact CG1-CG2 4.2Å; V114-V118 VanDerWaalsContact O-CB 3.28Å; V114-V118 WeakPolarHBondContact O-CB 3.38Å; V114-V118 WeakPolarHBondContact O-CG2 3.36Å; V114-V118 PolarHBondContact O-N 2.78Å |
| 115 | E | 74.7 | Confident | 71.8 | Confident | 138 Ų | 138 | 119 Ų | 119 | 65% | 0.645 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.9 | -37 | 175.9 | -172.3 | 179.4 | 96.6 | 0 | 0 | 111.2 | W111 K113 N119 | W111-E115 WeakPolarHBondContact O-CA 3.47Å; W111-E115 WeakPolarHBondContact O-CB 3.27Å; W111-E115 PolarHBondContact O-N 3.49Å; K113-E115 PolarHBondContact O-N 3.49Å; E115-N119 WeakPolarHBondContact O-CA 3.42Å; E115-N119 WeakPolarHBondContact O-CB 3.36Å; E115-N119 PolarHBondContact O-N 3.09Å |
| 116 | K | 82.1 | Confident | 73.3 | Confident | 154 Ų | 154 | 122.4 Ų | 122.4 | 67% | 0.67 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.3 | -40.3 | 176 | -167.5 | 175.6 | -171.1 | 178.7 | 0 | 111.8 | K112 K113 V114 K120 | K112-K116 WeakPolarHBondContact O-CB 3.35Å; K112-K116 PolarHBondContact O-N 2.83Å; K112-K116 VanDerWaalsContact O-N 3.07Å; K113-K116 CarbonylContact O-C 3.58Å; K113-K116 PolarHBondContact O-N 2.89Å; K113-K116 VanDerWaalsContact O-N 3.16Å; V114-K116 VanDerWaalsContact C-N 3.3Å; V114-K116 PolarHBondContact O-N 3.36Å; K116-K120 WeakPolarHBondContact O-CB 3.48Å; K116-K120 PolarHBondContact O-N 3.28Å |
| 117 | D | 81.5 | Confident | 75.1 | Confident | 107 Ų | 107 | 120.4 Ų | 120.4 | 57% | 0.572 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -71.1 | -42.6 | 176.1 | -75.6 | -37.2 | 0 | 0 | 0 | 111.7 | K113 V114 K120 A121 | K113-D117 WeakPolarHBondContact O-CB 3.31Å; K113-D117 PolarHBondContact O-N 3.36Å; V114-D117 PolarHBondContact O-N 3.42Å; D117-K120 PolarHBondContact O-N 2.97Å; D117-A121 VanDerWaalsContact O-CB 3.24Å; D117-A121 WeakPolarHBondContact O-CB 3.16Å; D117-A121 PolarHBondContact O-N 2.83Å |
| 118 | V | 80.7 | Confident | 76.3 | Confident | 84 Ų | 84 | 123.8 Ų | 123.8 | 51% | 0.509 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.3 | -44.5 | 173.1 | 170.3 | 0 | 0 | 0 | 0 | 110.4 | V114 A121 K122 | V114-V118 HydrophobicContact CG1-CG2 4.2Å; V114-V118 VanDerWaalsContact O-CB 3.28Å; V114-V118 WeakPolarHBondContact O-CB 3.38Å; V114-V118 WeakPolarHBondContact O-CG2 3.36Å; V114-V118 PolarHBondContact O-N 2.78Å; V118-A121 PolarHBondContact O-N 2.94Å; V118-K122 WeakPolarHBondContact O-CA 3.19Å; V118-K122 WeakPolarHBondContact O-CB 3.22Å; V118-K122 PolarHBondContact O-N 3.39Å |
| 119 | N | 88.4 | Confident | 77.7 | Confident | 88 Ų | 88 | 117.1 Ų | 117.1 | 47% | 0.471 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -70.9 | -33.9 | -179.9 | -167.9 | 34.7 | 0 | 0 | 0 | 111.8 | E115 K123 | E115-N119 WeakPolarHBondContact O-CA 3.42Å; E115-N119 WeakPolarHBondContact O-CB 3.36Å; E115-N119 PolarHBondContact O-N 3.09Å; N119-K123 WeakPolarHBondContact O-CB 3.44Å; N119-K123 PolarHBondContact O-N 3.49Å |
| 120 | K | 88.4 | Confident | 78.8 | Confident | 129 Ų | 129 | 120.5 Ų | 120.5 | 56% | 0.561 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66.4 | -49.1 | 172.5 | -161.9 | 178.2 | -172.1 | -171.3 | 0 | 110.2 | K116 D117 K122 K123 H124 | K116-K120 WeakPolarHBondContact O-CB 3.48Å; K116-K120 PolarHBondContact O-N 3.28Å; D117-K120 PolarHBondContact O-N 2.97Å; K120-K122 PolarHBondContact O-N 3.41Å; K120-K123 WeakPolarHBondContact O-CB 3.41Å; K120-K123 PolarHBondContact O-N 3.39Å; K120-H124 PolarHBondContact O-CD2 3.31Å; K120-H124 PolarHBondContact O-N 2.77Å |
| 121 | A | 86.1 | Confident | 79.8 | Confident | 49 Ų | 49 | 125.5 Ų | 125.5 | 41% | 0.405 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -59.8 | -45.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | D117 V118 K123 H124 L125 | D117-A121 VanDerWaalsContact O-CB 3.24Å; D117-A121 WeakPolarHBondContact O-CB 3.16Å; D117-A121 PolarHBondContact O-N 2.83Å; V118-A121 PolarHBondContact O-N 2.94Å; A121-K123 VanDerWaalsContact C-N 3.34Å; A121-K123 PolarHBondContact O-N 3.01Å; A121-H124 PolarHBondContact O-N 3.41Å; A121-H124 VanDerWaalsContact O-N 3.16Å; A121-L125 WeakPolarHBondContact O-CB 3.48Å; A121-L125 PolarHBondContact O-N 2.88Å |
| 122 | K | 83.8 | Confident | 80.4 | Confident | 145 Ų | 145 | 118.2 Ų | 118.2 | 63% | 0.63 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.8 | -36.7 | 177.2 | -161.2 | 179.7 | -169.9 | -170.7 | 0 | 111.6 | V118 K120 K126 | V118-K122 WeakPolarHBondContact O-CA 3.19Å; V118-K122 WeakPolarHBondContact O-CB 3.22Å; V118-K122 PolarHBondContact O-N 3.39Å; K120-K122 PolarHBondContact O-N 3.41Å; K122-K126 WeakPolarHBondContact O-CB 3.46Å; K122-K126 PolarHBondContact O-N 2.84Å |
| 123 | K | 89.9 | Confident | 81.1 | Confident | 146 Ų | 146 | 111.5 Ų | 111.5 | 64% | 0.635 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.8 | -46.4 | 171 | -98 | -176.8 | 174.3 | 177.9 | 0 | 111.7 | N119 K120 A121 K126 K127 | N119-K123 WeakPolarHBondContact O-CB 3.44Å; N119-K123 PolarHBondContact O-N 3.49Å; K120-K123 WeakPolarHBondContact O-CB 3.41Å; K120-K123 PolarHBondContact O-N 3.39Å; A121-K123 VanDerWaalsContact C-N 3.34Å; A121-K123 PolarHBondContact O-N 3.01Å; K123-K126 PolarHBondContact O-N 2.95Å; K123-K127 VanDerWaalsContact O-CB 3.29Å; K123-K127 WeakPolarHBondContact O-CB 3.4Å; K123-K127 PolarHBondContact O-N 2.76Å |
| 124 | H | 86.4 | Confident | 81.6 | Confident | 117 Ų | 117 | 109 Ų | 109 | 54% | 0.542 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 178.4 | -76 | -72.5 | 0 | 0 | 0 | 111.9 | K120 A121 K127 K128 | K120-H124 PolarHBondContact O-CD2 3.31Å; K120-H124 PolarHBondContact O-N 2.77Å; A121-H124 PolarHBondContact O-N 3.41Å; A121-H124 VanDerWaalsContact O-N 3.16Å; H124-K127 PolarHBondContact O-N 2.99Å; H124-K128 WeakPolarHBondContact O-CG 3.35Å; H124-K128 PolarHBondContact O-N 2.81Å |
| 125 | L | 82 | Confident | 81.9 | Confident | 119 Ų | 119 | 112.5 Ų | 112.5 | 62% | 0.623 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.8 | -48.4 | 173.7 | -81.2 | 161 | 0 | 0 | 0 | 111.7 | A121 K127 K128 A129 | A121-L125 WeakPolarHBondContact O-CB 3.48Å; A121-L125 PolarHBondContact O-N 2.88Å; L125-K127 VanDerWaalsContact C-N 3.29Å; L125-K127 PolarHBondContact O-N 3.17Å; L125-K128 PolarHBondContact O-N 3.42Å; L125-A129 WeakPolarHBondContact O-CB 3.21Å; L125-A129 PolarHBondContact O-N 2.65Å |
| 126 | K | 83.3 | Confident | 82.2 | Confident | 145 Ų | 145 | 109.5 Ų | 109.5 | 63% | 0.63 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.9 | -35.9 | 179.1 | -172.6 | 175.7 | -176.8 | -175.8 | 0 | 112.1 | K122 K123 N130 | K122-K126 WeakPolarHBondContact O-CB 3.46Å; K122-K126 PolarHBondContact O-N 2.84Å; K123-K126 PolarHBondContact O-N 2.95Å; K126-N130 VanDerWaalsContact O-CB 3.31Å; K126-N130 WeakPolarHBondContact O-CB 3.31Å; K126-N130 PolarHBondContact O-N 3.46Å; K126-N130 PolarHBondContact O-ND2 3.41Å |
| 127 | K | 86 | Confident | 82.1 | Confident | 170 Ų | 170 | 107 Ų | 107 | 74% | 0.739 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -70 | -41.9 | 177.2 | -146.6 | 177.1 | -168.8 | -176.7 | 0 | 111.2 | K123 H124 L125 K131 | K123-K127 VanDerWaalsContact O-CB 3.29Å; K123-K127 WeakPolarHBondContact O-CB 3.4Å; K123-K127 PolarHBondContact O-N 2.76Å; H124-K127 PolarHBondContact O-N 2.99Å; L125-K127 VanDerWaalsContact C-N 3.29Å; L125-K127 PolarHBondContact O-N 3.17Å; K127-K131 WeakPolarHBondContact O-CB 3.17Å; K127-K131 PolarHBondContact O-N 3.15Å; K127-K131 VanDerWaalsContact O-N 3.1Å |
| 128 | K | 79.5 | Confident | 82.3 | Confident | 160 Ų | 160 | 105.5 Ų | 105.5 | 70% | 0.696 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.7 | -45.8 | 172.2 | -77.2 | -172.4 | 176.2 | -135.6 | 0 | 111.8 | H124 L125 N130 K131 A132 | H124-K128 WeakPolarHBondContact O-CG 3.35Å; H124-K128 PolarHBondContact O-N 2.81Å; L125-K128 PolarHBondContact O-N 3.42Å; K128-N130 PolarHBondContact O-N 3.2Å; K128-K131 PolarHBondContact O-N 3.3Å; K128-A132 VanDerWaalsContact O-CB 3.27Å; K128-A132 WeakPolarHBondContact O-CB 3.47Å; K128-A132 PolarHBondContact O-N 3.49Å |
| 129 | A | 77.9 | Confident | 82.5 | Confident | 45 Ų | 45 | 108.5 Ų | 108.5 | 37% | 0.372 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.3 | -30.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | L125 A132 A133 | L125-A129 WeakPolarHBondContact O-CB 3.21Å; L125-A129 PolarHBondContact O-N 2.65Å; A129-A132 CarbonylContact O-C 3.45Å; A129-A133 WeakPolarHBondContact O-CA 3.49Å; A129-A133 VanDerWaalsContact O-CB 3.23Å; A129-A133 WeakPolarHBondContact O-CB 3.45Å; A129-A133 PolarHBondContact O-N 2.93Å |
| 130 | N | 81 | Confident | 82.3 | Confident | 105 Ų | 105 | 108.7 Ų | 108.7 | 56% | 0.561 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -73.8 | -37.7 | 170.8 | -94.6 | -94 | 0 | 0 | 0 | 111.8 | K126 K128 A132 A133 | K126-N130 VanDerWaalsContact O-CB 3.31Å; K126-N130 WeakPolarHBondContact O-CB 3.31Å; K126-N130 PolarHBondContact O-N 3.46Å; K126-N130 PolarHBondContact O-ND2 3.41Å; K128-N130 PolarHBondContact O-N 3.2Å; N130-A132 VanDerWaalsContact C-N 3.29Å; N130-A133 WeakPolarHBondContact O-CB 3.44Å; N130-A133 PolarHBondContact O-N 2.8Å |
| 131 | K | 80.2 | Confident | 82.1 | Confident | 185 Ų | 185 | 109.4 Ų | 109.4 | 80% | 0.804 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.1 | -35.7 | 175.2 | -166.5 | 178.6 | -179.2 | -169 | 0 | 111.6 | K127 K128 | K127-K131 WeakPolarHBondContact O-CB 3.17Å; K127-K131 PolarHBondContact O-N 3.15Å; K127-K131 VanDerWaalsContact O-N 3.1Å; K128-K131 PolarHBondContact O-N 3.3Å |
| 132 | A | 76.1 | Confident | 81.8 | Confident | 25 Ų | 25 | 113 Ų | 113 | 21% | 0.207 | 55% | 0.554 | C | S | . | * | S | Bend | trans | -92 | -1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | K128 A129 N130 P134 E135 I136 | K128-A132 VanDerWaalsContact O-CB 3.27Å; K128-A132 WeakPolarHBondContact O-CB 3.47Å; K128-A132 PolarHBondContact O-N 3.49Å; A129-A132 CarbonylContact O-C 3.45Å; N130-A132 VanDerWaalsContact C-N 3.29Å; A132-P134 VanDerWaalsContact C-CD 3.48Å; A132-P134 VanDerWaalsContact C-N 3.32Å; A132-E135 CarbonylContact O-C 3.56Å; A132-E135 WeakPolarHBondContact O-CA 3.49Å; A132-E135 WeakPolarHBondContact O-CB 3.48Å; A132-E135 PolarHBondContact O-N 3.1Å; A132-I136 HydrophobicContact CB-CD1 4.07Å; A132-I136 HydrophobicContact CB-CG1 4.31Å; A132-I136 WeakPolarHBondContact O-CD1 3.34Å; A132-I136 WeakPolarHBondContact O-CG1 3.43Å; A132-I136 PolarHBondContact O-N 3.16Å |
| 133 | A | 75.8 | Confident | 81.7 | Confident | 30 Ų | 30 | 108 Ų | 108 | 25% | 0.248 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -54.5 | -43.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A129 N130 I136 N137 | A129-A133 WeakPolarHBondContact O-CA 3.49Å; A129-A133 VanDerWaalsContact O-CB 3.23Å; A129-A133 WeakPolarHBondContact O-CB 3.45Å; A129-A133 PolarHBondContact O-N 2.93Å; N130-A133 WeakPolarHBondContact O-CB 3.44Å; N130-A133 PolarHBondContact O-N 2.8Å; A133-I136 PolarHBondContact O-N 3.44Å; A133-N137 WeakPolarHBondContact O-CB 3.17Å; A133-N137 PolarHBondContact O-N 3.43Å; A133-N137 PolarHBondContact O-ND2 3.37Å |
| 134 | P | 78.7 | Confident | 81.2 | Confident | 79 Ų | 79 | 104 Ų | 104 | 51% | 0.513 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 173.1 | 22.7 | -33.2 | 0 | 0 | 0 | 112 | A132 I136 N137 T138 | A132-P134 VanDerWaalsContact C-CD 3.48Å; A132-P134 VanDerWaalsContact C-N 3.32Å; P134-I136 PolarHBondContact O-N 2.81Å; P134-N137 PolarHBondContact O-N 2.83Å; P134-T138 WeakPolarHBondContact O-CB 3.15Å; P134-T138 PolarHBondContact O-N 2.77Å; P134-T138 PolarHBondContact O-OG1 3Å |
| 135 | E | 77 | Confident | 81 | Confident | 143 Ų | 143 | 101.8 Ų | 101.8 | 67% | 0.668 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.4 | -39 | 177.1 | -74 | 179.9 | 162.4 | 0 | 0 | 112.7 | A132 T138 F139 | A132-E135 CarbonylContact O-C 3.56Å; A132-E135 WeakPolarHBondContact O-CA 3.49Å; A132-E135 WeakPolarHBondContact O-CB 3.48Å; A132-E135 PolarHBondContact O-N 3.1Å; E135-T138 PolarHBondContact O-N 3.48Å; E135-F139 VanDerWaalsContact O-CB 3.22Å; E135-F139 WeakPolarHBondContact O-CB 3.49Å; E135-F139 PolarHBondContact O-N 2.77Å |
| 136 | I | 80.6 | Confident | 80.7 | Confident | 75 Ų | 75 | 101.1 Ų | 101.1 | 39% | 0.385 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.8 | -40.7 | -179.2 | -56.9 | 157 | 0 | 0 | 0 | 110 | A132 A133 P134 F139 I140 | A132-I136 HydrophobicContact CB-CD1 4.07Å; A132-I136 HydrophobicContact CB-CG1 4.31Å; A132-I136 WeakPolarHBondContact O-CD1 3.34Å; A132-I136 WeakPolarHBondContact O-CG1 3.43Å; A132-I136 PolarHBondContact O-N 3.16Å; A133-I136 PolarHBondContact O-N 3.44Å; P134-I136 PolarHBondContact O-N 2.81Å; I136-F139 PolarHBondContact O-N 2.97Å; I136-I140 HydrophobicContact CG2-CD1 3.81Å; I136-I140 HydrophobicContact CG2-CG1 4.35Å; I136-I140 WeakPolarHBondContact O-CB 3.25Å; I136-I140 WeakPolarHBondContact O-CD1 3.5Å; I136-I140 WeakPolarHBondContact O-CG1 3.08Å; I136-I140 PolarHBondContact O-N 3.44Å |
| 137 | N | 81.6 | Confident | 80.4 | Confident | 100 Ų | 100 | 98.5 Ų | 98.5 | 54% | 0.535 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.3 | -44.6 | 175.2 | -68.6 | -20 | 0 | 0 | 0 | 110.9 | A133 P134 F139 I140 E141 | A133-N137 WeakPolarHBondContact O-CB 3.17Å; A133-N137 PolarHBondContact O-N 3.43Å; A133-N137 PolarHBondContact O-ND2 3.37Å; P134-N137 PolarHBondContact O-N 2.83Å; N137-F139 VanDerWaalsContact C-N 3.33Å; N137-F139 PolarHBondContact O-N 3.19Å; N137-I140 PolarHBondContact O-N 3.43Å; N137-E141 PolarHBondContact O-N 2.97Å |
| 138 | T | 86 | Confident | 80 | Confident | 77 Ų | 77 | 97.9 Ų | 97.9 | 47% | 0.472 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.8 | -45.6 | 173.9 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | P134 E135 I140 E141 E142 | P134-T138 WeakPolarHBondContact O-CB 3.15Å; P134-T138 PolarHBondContact O-N 2.77Å; P134-T138 PolarHBondContact O-OG1 3Å; E135-T138 PolarHBondContact O-N 3.48Å; T138-I140 VanDerWaalsContact C-N 3.34Å; T138-I140 PolarHBondContact O-N 2.99Å; T138-E141 PolarHBondContact O-N 2.99Å; T138-E142 WeakPolarHBondContact O-CB 3.29Å; T138-E142 WeakPolarHBondContact O-CG 3.05Å; T138-E142 PolarHBondContact O-N 3.47Å |
| 139 | F | 84.6 | Confident | 79.6 | Confident | 146 Ų | 146 | 99.1 Ų | 99.1 | 64% | 0.64 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.9 | -35.5 | 179 | -168.1 | -94.6 | 0 | 0 | 0 | 112.6 | E135 I136 N137 A143 | E135-F139 VanDerWaalsContact O-CB 3.22Å; E135-F139 WeakPolarHBondContact O-CB 3.49Å; E135-F139 PolarHBondContact O-N 2.77Å; I136-F139 PolarHBondContact O-N 2.97Å; N137-F139 VanDerWaalsContact C-N 3.33Å; N137-F139 PolarHBondContact O-N 3.19Å; F139-A143 WeakPolarHBondContact O-CB 3.24Å; F139-A143 PolarHBondContact O-N 2.8Å |
| 140 | I | 83 | Confident | 79.2 | Confident | 92 Ų | 92 | 99.3 Ų | 99.3 | 47% | 0.472 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.3 | -41.4 | 175 | -71.7 | 166.9 | 0 | 0 | 0 | 110.8 | I136 N137 T138 A143 T144 | I136-I140 HydrophobicContact CG2-CD1 3.81Å; I136-I140 HydrophobicContact CG2-CG1 4.35Å; I136-I140 WeakPolarHBondContact O-CB 3.25Å; I136-I140 WeakPolarHBondContact O-CD1 3.5Å; I136-I140 WeakPolarHBondContact O-CG1 3.08Å; I136-I140 PolarHBondContact O-N 3.44Å; N137-I140 PolarHBondContact O-N 3.43Å; T138-I140 VanDerWaalsContact C-N 3.34Å; T138-I140 PolarHBondContact O-N 2.99Å; I140-A143 PolarHBondContact O-N 2.89Å; I140-T144 VanDerWaalsContact O-CB 3.31Å; I140-T144 WeakPolarHBondContact O-CB 3.28Å; I140-T144 PolarHBondContact O-N 2.92Å; I140-T144 PolarHBondContact O-OG1 3.36Å |
| 141 | E | 85.4 | Confident | 78.7 | Confident | 144 Ų | 144 | 99.5 Ų | 99.5 | 67% | 0.673 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.9 | -45.8 | 173.6 | -91.7 | -176.8 | 118.9 | 0 | 0 | 111.2 | N137 T138 T144 D145 | N137-E141 PolarHBondContact O-N 2.97Å; T138-E141 PolarHBondContact O-N 2.99Å; E141-T144 PolarHBondContact O-N 2.77Å; E141-D145 WeakPolarHBondContact O-CB 3.19Å; E141-D145 PolarHBondContact O-N 2.71Å |
| 142 | E | 79.8 | Confident | 78 | Confident | 126 Ų | 126 | 93.5 Ų | 93.5 | 59% | 0.589 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62.4 | -43.3 | 175.3 | -76.4 | -167 | 129.6 | 0 | 0 | 112 | T138 T144 D145 F146 | T138-E142 WeakPolarHBondContact O-CB 3.29Å; T138-E142 WeakPolarHBondContact O-CG 3.05Å; T138-E142 PolarHBondContact O-N 3.47Å; E142-T144 VanDerWaalsContact C-N 3.3Å; E142-T144 PolarHBondContact O-N 3.43Å; E142-D145 PolarHBondContact O-N 2.88Å; E142-F146 VanDerWaalsContact O-CB 3.23Å; E142-F146 WeakPolarHBondContact O-CB 3.46Å; E142-F146 PolarHBondContact O-N 3.29Å |
| 143 | A | 80.4 | Confident | 77.7 | Confident | 39 Ų | 39 | 93.6 Ų | 93.6 | 32% | 0.322 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.3 | -39.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | F139 I140 F146 I147 | F139-A143 WeakPolarHBondContact O-CB 3.24Å; F139-A143 PolarHBondContact O-N 2.8Å; I140-A143 PolarHBondContact O-N 2.89Å; A143-F146 PolarHBondContact O-N 3.36Å; A143-I147 WeakPolarHBondContact O-CB 3.47Å; A143-I147 WeakPolarHBondContact O-CD1 3.34Å; A143-I147 WeakPolarHBondContact O-CG1 3.09Å; A143-I147 PolarHBondContact O-N 3.25Å |
| 144 | T | 81.1 | Confident | 77.9 | Confident | 63 Ų | 63 | 93.1 Ų | 93.1 | 39% | 0.387 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67 | -42.1 | 176.9 | -59 | 0 | 0 | 0 | 0 | 111.4 | I140 E141 E142 F146 I147 K148 | I140-T144 VanDerWaalsContact O-CB 3.31Å; I140-T144 WeakPolarHBondContact O-CB 3.28Å; I140-T144 PolarHBondContact O-N 2.92Å; I140-T144 PolarHBondContact O-OG1 3.36Å; E141-T144 PolarHBondContact O-N 2.77Å; E142-T144 VanDerWaalsContact C-N 3.3Å; E142-T144 PolarHBondContact O-N 3.43Å; T144-F146 VanDerWaalsContact C-N 3.33Å; T144-I147 PolarHBondContact O-N 3.01Å; T144-K148 HydrophobicContact CG2-CD 4.45Å; T144-K148 WeakPolarHBondContact O-CG 3.4Å; T144-K148 PolarHBondContact O-N 3.13Å |
| 145 | D | 81.9 | Confident | 78 | Confident | 70 Ų | 70 | 92.7 Ų | 92.7 | 37% | 0.374 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.5 | -37.7 | 175.9 | -164.6 | -109.7 | 0 | 0 | 0 | 110.8 | E141 E142 K148 R149 | E141-D145 WeakPolarHBondContact O-CB 3.19Å; E141-D145 PolarHBondContact O-N 2.71Å; E142-D145 PolarHBondContact O-N 2.88Å; D145-K148 PolarHBondContact O-N 3.48Å; D145-R149 WeakPolarHBondContact O-CB 3.35Å; D145-R149 VanDerWaalsContact O-CG 3.28Å; D145-R149 WeakPolarHBondContact O-CG 3.23Å; D145-R149 PolarHBondContact O-N 2.68Å; D145-R149 WeakPolarHBondContact OD1-CD 3.11Å; D145-R149 IonicContact OD1-CZ 2.79Å; D145-R149 VanDerWaalsContact OD1-CZ 3.26Å; D145-R149 IonicContact OD1-NE 3.95Å; D145-R149 PolarHBondContact OD1-NE 3.29Å; D145-R149 IonicContact OD1-NH2 3.17Å; D145-R149 PolarHBondContact OD1-NH2 3.45Å; D145-R149 VanDerWaalsContact OD1-NH2 3.17Å; D145-R149 IonicContact OD2-CZ 3.82Å; D145-R149 IonicContact OD2-NE 3.88Å; D145-R149 PolarHBondContact OD2-NE 2.91Å; D145-R149 IonicContact OD2-NH2 3.51Å |
| 146 | F | 74.5 | Confident | 78.3 | Confident | 105 Ų | 105 | 86.4 Ų | 86.4 | 46% | 0.461 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.7 | -42.1 | 174.3 | -160.9 | -91.3 | 0 | 0 | 0 | 112.1 | E142 A143 T144 K148 R149 N150 L153 | E142-F146 VanDerWaalsContact O-CB 3.23Å; E142-F146 WeakPolarHBondContact O-CB 3.46Å; E142-F146 PolarHBondContact O-N 3.29Å; A143-F146 PolarHBondContact O-N 3.36Å; T144-F146 VanDerWaalsContact C-N 3.33Å; F146-K148 VanDerWaalsContact C-N 3.33Å; F146-K148 PolarHBondContact O-N 2.75Å; F146-R149 PolarHBondContact O-N 2.99Å; F146-N150 HydrophobicContact CD1-CB 4.29Å; F146-N150 HydrophobicContact CE1-CB 4.12Å; F146-N150 HydrophobicContact CZ-CB 4.48Å; F146-N150 WeakPolarHBondContact O-CA 3.49Å; F146-N150 VanDerWaalsContact O-CB 3.31Å; F146-N150 WeakPolarHBondContact O-CB 3.34Å; F146-N150 PolarHBondContact O-N 3.31Å; F146-L153 HydrophobicContact CE1-CD2 4.06Å; F146-L153 HydrophobicContact CZ-CD2 4.15Å |
| 147 | I | 78 | Confident | 78.5 | Confident | 89 Ų | 89 | 86.8 Ų | 86.8 | 46% | 0.456 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 173.9 | -68.9 | 161.8 | 0 | 0 | 0 | 110.6 | A143 T144 I151 | A143-I147 WeakPolarHBondContact O-CB 3.47Å; A143-I147 WeakPolarHBondContact O-CD1 3.34Å; A143-I147 WeakPolarHBondContact O-CG1 3.09Å; A143-I147 PolarHBondContact O-N 3.25Å; T144-I147 PolarHBondContact O-N 3.01Å; I147-I151 WeakPolarHBondContact O-CA 3.28Å; I147-I151 VanDerWaalsContact O-CB 3.25Å; I147-I151 WeakPolarHBondContact O-CB 3.38Å; I147-I151 PolarHBondContact O-N 2.9Å |
| 148 | K | 76.8 | Confident | 78.7 | Confident | 158 Ų | 158 | 85.6 Ų | 85.6 | 69% | 0.687 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -69.2 | -39.3 | 178 | -76.5 | 176.5 | -179.6 | 178.8 | 0 | 112.5 | T144 D145 F146 | T144-K148 HydrophobicContact CG2-CD 4.45Å; T144-K148 WeakPolarHBondContact O-CG 3.4Å; T144-K148 PolarHBondContact O-N 3.13Å; D145-K148 PolarHBondContact O-N 3.48Å; F146-K148 VanDerWaalsContact C-N 3.33Å; F146-K148 PolarHBondContact O-N 2.75Å |
| 149 | R | 70.5 | Confident | 78.8 | Confident | 185 Ų | 185 | 83.8 Ų | 83.8 | 70% | 0.698 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -82.1 | -32.6 | -178.8 | -68.8 | -176.3 | -165.8 | -130.9 | 8.3 | 113.4 | D145 F146 | D145-R149 WeakPolarHBondContact O-CB 3.35Å; D145-R149 VanDerWaalsContact O-CG 3.28Å; D145-R149 WeakPolarHBondContact O-CG 3.23Å; D145-R149 PolarHBondContact O-N 2.68Å; D145-R149 WeakPolarHBondContact OD1-CD 3.11Å; D145-R149 IonicContact OD1-CZ 2.79Å; D145-R149 VanDerWaalsContact OD1-CZ 3.26Å; D145-R149 IonicContact OD1-NE 3.95Å; D145-R149 PolarHBondContact OD1-NE 3.29Å; D145-R149 IonicContact OD1-NH2 3.17Å; D145-R149 PolarHBondContact OD1-NH2 3.45Å; D145-R149 VanDerWaalsContact OD1-NH2 3.17Å; D145-R149 IonicContact OD2-CZ 3.82Å; D145-R149 IonicContact OD2-NE 3.88Å; D145-R149 PolarHBondContact OD2-NE 2.91Å; D145-R149 IonicContact OD2-NH2 3.51Å; F146-R149 PolarHBondContact O-N 2.99Å |
| 150 | N | 69.9 | Low | 78.8 | Confident | 50 Ų | 50 | 77.3 Ų | 77.3 | 27% | 0.267 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -123.4 | 40 | -175.7 | -66 | -63.6 | 0 | 0 | 0 | 111.6 | F146 V152 L153 S154 | F146-N150 HydrophobicContact CD1-CB 4.29Å; F146-N150 HydrophobicContact CE1-CB 4.12Å; F146-N150 HydrophobicContact CZ-CB 4.48Å; F146-N150 WeakPolarHBondContact O-CA 3.49Å; F146-N150 VanDerWaalsContact O-CB 3.31Å; F146-N150 WeakPolarHBondContact O-CB 3.34Å; F146-N150 PolarHBondContact O-N 3.31Å; N150-V152 PolarHBondContact O-N 3.28Å; N150-L153 HydrophobicContact CB-CB 4.11Å; N150-L153 PolarHBondContact O-N 3.22Å; N150-S154 PolarHBondContact O-N 3.33Å; N150-S154 PolarHBondContact O-OG 2.76Å |
| 151 | I | 71.3 | Confident | 79 | Confident | 109 Ų | 109 | 75.3 Ų | 75.3 | 56% | 0.559 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -52.1 | -33.2 | -178.5 | -157.3 | 166.7 | 0 | 0 | 0 | 111.9 | I147 S155 | I147-I151 WeakPolarHBondContact O-CA 3.28Å; I147-I151 VanDerWaalsContact O-CB 3.25Å; I147-I151 WeakPolarHBondContact O-CB 3.38Å; I147-I151 PolarHBondContact O-N 2.9Å; I151-S155 WeakPolarHBondContact O-CA 3.31Å; I151-S155 WeakPolarHBondContact O-CB 3.38Å; I151-S155 PolarHBondContact O-N 2.71Å; I151-S155 PolarHBondContact O-OG 3.1Å |
| 152 | V | 64.6 | Low | 79.1 | Confident | 58 Ų | 58 | 74.9 Ų | 74.9 | 35% | 0.352 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -68 | -48.5 | 179.7 | 177.8 | 0 | 0 | 0 | 0 | 110.8 | V62 I66 N150 S155 G156 | V62-V152 HydrophobicContact CG1-CB 3.99Å; V62-V152 HydrophobicContact CG1-CG1 3.45Å; V62-V152 VanDerWaalsContact CG1-CG1 3.45Å; I66-V152 HydrophobicContact CD1-CB 4.44Å; I66-V152 HydrophobicContact CD1-CG1 3.04Å; I66-V152 HydrophobicContact CG1-CB 4.39Å; I66-V152 HydrophobicContact CG1-CG1 3.25Å; I66-V152 WeakPolarHBondContact CG1-O 3.37Å; N150-V152 PolarHBondContact O-N 3.28Å; V152-S155 PolarHBondContact O-OG 3.45Å; V152-G156 PolarHBondContact O-N 2.82Å; V152-G156 VanDerWaalsContact O-N 3.1Å |
| 153 | L | 71.4 | Confident | 79.4 | Confident | 27 Ų | 27 | 73.7 Ų | 73.7 | 14% | 0.141 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.9 | -47.2 | 174.2 | 179.5 | 64.7 | 0 | 0 | 0 | 112.7 | Q65 F146 N150 S155 G156 F157 | Q65-L153 HydrophobicContact CB-CD1 3.78Å; Q65-L153 HydrophobicContact CG-CD1 3.62Å; Q65-L153 HydrophobicContact CG-CD2 4.05Å; Q65-L153 HydrophobicContact CG-CG 4.36Å; Q65-L153 WeakPolarHBondContact O-CD1 3.48Å; F146-L153 HydrophobicContact CE1-CD2 4.06Å; F146-L153 HydrophobicContact CZ-CD2 4.15Å; N150-L153 HydrophobicContact CB-CB 4.11Å; N150-L153 PolarHBondContact O-N 3.22Å; L153-S155 VanDerWaalsContact C-N 3.3Å; L153-S155 PolarHBondContact O-N 3.29Å; L153-G156 PolarHBondContact O-N 3.39Å; L153-G156 VanDerWaalsContact O-N 3.16Å; L153-F157 PolarHBondContact O-N 3.14Å |
| 154 | S | 78.9 | Confident | 79.3 | Confident | 20 Ų | 20 | 71.9 Ų | 71.9 | 14% | 0.14 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.4 | -37.5 | 179.9 | -64.2 | 0 | 0 | 0 | 0 | 111.2 | N150 F157 V158 | N150-S154 PolarHBondContact O-N 3.33Å; N150-S154 PolarHBondContact O-OG 2.76Å; S154-F157 PolarHBondContact O-N 3.33Å; S154-V158 WeakPolarHBondContact O-CB 3.49Å; S154-V158 VanDerWaalsContact O-CG2 3.24Å; S154-V158 WeakPolarHBondContact O-CG2 3.3Å; S154-V158 PolarHBondContact O-N 3.01Å |
| 155 | S | 81.7 | Confident | 79.3 | Confident | 70 Ų | 70 | 70.3 Ų | 70.3 | 49% | 0.49 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.1 | -37.3 | 173.7 | 69.4 | 0 | 0 | 0 | 0 | 112.4 | I151 V152 L153 G159 | I151-S155 WeakPolarHBondContact O-CA 3.31Å; I151-S155 WeakPolarHBondContact O-CB 3.38Å; I151-S155 PolarHBondContact O-N 2.71Å; I151-S155 PolarHBondContact O-OG 3.1Å; V152-S155 PolarHBondContact O-OG 3.45Å; L153-S155 VanDerWaalsContact C-N 3.3Å; L153-S155 PolarHBondContact O-N 3.29Å; S155-G159 WeakPolarHBondContact O-CA 3.48Å; S155-G159 PolarHBondContact O-N 3.43Å |
| 156 | G | 82.3 | Confident | 78.9 | Confident | 11 Ų | 11 | 71.3 Ų | 71.3 | 11% | 0.113 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.3 | -49.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | G70 V152 L153 G160 | G70-G156 WeakPolarHBondContact CA-O 3.43Å; V152-G156 PolarHBondContact O-N 2.82Å; V152-G156 VanDerWaalsContact O-N 3.1Å; L153-G156 PolarHBondContact O-N 3.39Å; L153-G156 VanDerWaalsContact O-N 3.16Å; G156-G160 PolarHBondContact O-N 3.34Å |
| 157 | F | 84.1 | Confident | 78.4 | Confident | 84 Ų | 84 | 70 Ų | 70 | 37% | 0.368 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.7 | -48.4 | 178.5 | 178.5 | -94.2 | 0 | 0 | 0 | 113 | G69 L153 S154 G160 F161 | G69-F157 VanDerWaalsContact O-CA 3.28Å; G69-F157 WeakPolarHBondContact O-CA 3.19Å; G69-F157 WeakPolarHBondContact O-CD2 3.28Å; L153-F157 PolarHBondContact O-N 3.14Å; S154-F157 PolarHBondContact O-N 3.33Å; F157-G160 PolarHBondContact O-N 3.28Å; F157-F161 WeakPolarHBondContact O-CB 3.47Å; F157-F161 PolarHBondContact O-N 2.99Å |
| 158 | V | 86.3 | Confident | 78.4 | Confident | 74 Ų | 74 | 69.1 Ų | 69.1 | 45% | 0.448 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 178.3 | 172.6 | 0 | 0 | 0 | 0 | 110.5 | S154 F161 F162 | S154-V158 WeakPolarHBondContact O-CB 3.49Å; S154-V158 VanDerWaalsContact O-CG2 3.24Å; S154-V158 WeakPolarHBondContact O-CG2 3.3Å; S154-V158 PolarHBondContact O-N 3.01Å; V158-F161 PolarHBondContact O-N 3.37Å; V158-F162 HydrophobicContact CG1-CD2 3.92Å; V158-F162 HydrophobicContact CG1-CE2 4.21Å; V158-F162 WeakPolarHBondContact O-CB 3.04Å; V158-F162 WeakPolarHBondContact O-CD2 3.27Å; V158-F162 PolarHBondContact O-N 2.79Å |
| 159 | G | 88.1 | Confident | 78.5 | Confident | 40 Ų | 40 | 64.4 Ų | 64.4 | 41% | 0.412 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.2 | -47.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S155 F162 L163 | S155-G159 WeakPolarHBondContact O-CA 3.48Å; S155-G159 PolarHBondContact O-N 3.43Å; G159-F162 PolarHBondContact O-N 3.07Å; G159-L163 WeakPolarHBondContact O-CB 3.48Å; G159-L163 PolarHBondContact O-N 3.12Å |
| 160 | G | 85 | Confident | 78.9 | Confident | 9 Ų | 9 | 57.7 Ų | 57.7 | 9% | 0.093 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | G70 G73 W74 G156 F157 F162 L163 G164 | G70-G160 WeakPolarHBondContact O-CA 3.33Å; G73-G160 VanDerWaalsContact C-C 3.46Å; W74-G160 WeakPolarHBondContact CA-O 3.26Å; W74-G160 PolarHBondContact N-O 3.45Å; G156-G160 PolarHBondContact O-N 3.34Å; F157-G160 PolarHBondContact O-N 3.28Å; G160-F162 PolarHBondContact O-N 2.74Å; G160-L163 CarbonylContact O-C 3.3Å; G160-L163 PolarHBondContact O-N 2.88Å; G160-G164 PolarHBondContact O-N 3.22Å |
| 161 | F | 87.3 | Confident | 79.5 | Confident | 50 Ų | 50 | 58.2 Ų | 58.2 | 22% | 0.219 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 178.3 | 178.6 | -99.6 | 0 | 0 | 0 | 112.7 | G73 A76 F80 F157 V158 L163 G164 L165 | G73-F161 VanDerWaalsContact C-CA 3.43Å; G73-F161 VanDerWaalsContact C-N 3.29Å; G73-F161 WeakPolarHBondContact O-CA 3.29Å; A76-F161 HydrophobicContact CB-CD2 4.15Å; F80-F161 HydrophobicContact CB-CE2 4.19Å; F80-F161 HydrophobicContact CB-CZ 4.41Å; F80-F161 HydrophobicContact CD1-CZ 4.48Å; F80-F161 HydrophobicContact CG-CZ 4.27Å; F157-F161 WeakPolarHBondContact O-CB 3.47Å; F157-F161 PolarHBondContact O-N 2.99Å; V158-F161 PolarHBondContact O-N 3.37Å; F161-L163 PolarHBondContact O-N 2.94Å; F161-G164 PolarHBondContact O-N 3.23Å; F161-L165 HydrophobicContact CD1-CD1 3.83Å; F161-L165 HydrophobicContact CD1-CG 4.27Å; F161-L165 HydrophobicContact CE1-CD1 3.32Å; F161-L165 HydrophobicContact CE1-CD2 4.47Å; F161-L165 HydrophobicContact CE1-CG 3.93Å; F161-L165 HydrophobicContact CE2-CG 4.49Å; F161-L165 HydrophobicContact CZ-CD1 3.8Å; F161-L165 HydrophobicContact CZ-CD2 4.14Å; F161-L165 HydrophobicContact CZ-CG 4.03Å; F161-L165 WeakPolarHBondContact O-CB 2.89Å; F161-L165 VanDerWaalsContact O-CG 3.31Å; F161-L165 WeakPolarHBondContact O-CG 3.21Å; F161-L165 PolarHBondContact O-N 2.92Å |
| 162 | F | 88 | Confident | 80 | Confident | 135 Ų | 135 | 55 Ų | 55 | 59% | 0.592 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -66 | -28.2 | 176.3 | -97.4 | -89.1 | 0 | 0 | 0 | 113.9 | V158 G159 G160 L165 | V158-F162 HydrophobicContact CG1-CD2 3.92Å; V158-F162 HydrophobicContact CG1-CE2 4.21Å; V158-F162 WeakPolarHBondContact O-CB 3.04Å; V158-F162 WeakPolarHBondContact O-CD2 3.27Å; V158-F162 PolarHBondContact O-N 2.79Å; G159-F162 PolarHBondContact O-N 3.07Å; G160-F162 PolarHBondContact O-N 2.74Å; F162-L165 CarbonylContact C-O 3.55Å; F162-L165 CarbonylContact O-C 3.56Å; F162-L165 VanDerWaalsContact O-C 3.31Å |
| 163 | L | 86.5 | Confident | 81 | Confident | 102 Ų | 102 | 54.8 Ų | 54.8 | 53% | 0.534 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -83.6 | -23.8 | 178.3 | -159.2 | 66.3 | 0 | 0 | 0 | 112.4 | W74 G159 G160 F161 L165 S167 | W74-L163 HydrophobicContact CE3-CB 3.7Å; W74-L163 HydrophobicContact CE3-CD2 3.58Å; W74-L163 HydrophobicContact CE3-CG 3.58Å; W74-L163 HydrophobicContact CH2-CD2 4.24Å; W74-L163 HydrophobicContact CH2-CG 3.79Å; W74-L163 WeakPolarHBondContact CH2-O 3.48Å; W74-L163 HydrophobicContact CZ3-CB 3.74Å; W74-L163 HydrophobicContact CZ3-CD1 4.32Å; W74-L163 HydrophobicContact CZ3-CD2 3.16Å; W74-L163 HydrophobicContact CZ3-CG 3.08Å; G159-L163 WeakPolarHBondContact O-CB 3.48Å; G159-L163 PolarHBondContact O-N 3.12Å; G160-L163 CarbonylContact O-C 3.3Å; G160-L163 PolarHBondContact O-N 2.88Å; F161-L163 PolarHBondContact O-N 2.94Å; L163-L165 CarbonylContact C-O 2.86Å; L163-S167 WeakPolarHBondContact O-CB 3Å |
| 164 | G | 78.3 | Confident | 81.7 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -85 | -34.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | W74 G77 Y78 Q81 G160 F161 | W74-G164 WeakPolarHBondContact O-CA 3.32Å; G77-G164 CarbonylContact C-O 3.31Å; G77-G164 VanDerWaalsContact C-O 3.3Å; Y78-G164 WeakPolarHBondContact CA-O 3.32Å; Y78-G164 VanDerWaalsContact N-C 3.3Å; Y78-G164 PolarHBondContact N-O 3.5Å; Y78-G164 VanDerWaalsContact N-O 3.12Å; Q81-G164 PolarHBondContact OE1-O 3.41Å; G160-G164 PolarHBondContact O-N 3.22Å; F161-G164 PolarHBondContact O-N 3.23Å |
| 165 | L | 79.4 | Confident | 81.9 | Confident | 31 Ų | 31 | 59.6 Ų | 59.6 | 16% | 0.162 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -59.2 | 171.5 | 143.9 | -58.6 | 179.2 | 0 | 0 | 0 | 106.5 | G77 F80 Q81 F161 F162 L163 S167 | G77-L165 WeakPolarHBondContact O-CD2 3.14Å; F80-L165 HydrophobicContact CB-CD2 4.01Å; F80-L165 HydrophobicContact CD1-CD2 3.4Å; F80-L165 HydrophobicContact CE1-CD2 4.26Å; F80-L165 HydrophobicContact CG-CD2 4.09Å; Q81-L165 VanDerWaalsContact CD-CA 3.42Å; Q81-L165 HydrophobicContact CG-CB 4.43Å; Q81-L165 HydrophobicContact CG-CD2 3.86Å; Q81-L165 VanDerWaalsContact OE1-C 3.25Å; Q81-L165 VanDerWaalsContact OE1-CA 3.25Å; F161-L165 HydrophobicContact CD1-CD1 3.83Å; F161-L165 HydrophobicContact CD1-CG 4.27Å; F161-L165 HydrophobicContact CE1-CD1 3.32Å; F161-L165 HydrophobicContact CE1-CD2 4.47Å; F161-L165 HydrophobicContact CE1-CG 3.93Å; F161-L165 HydrophobicContact CE2-CG 4.49Å; F161-L165 HydrophobicContact CZ-CD1 3.8Å; F161-L165 HydrophobicContact CZ-CD2 4.14Å; F161-L165 HydrophobicContact CZ-CG 4.03Å; F161-L165 WeakPolarHBondContact O-CB 2.89Å; F161-L165 VanDerWaalsContact O-CG 3.31Å; F161-L165 WeakPolarHBondContact O-CG 3.21Å; F161-L165 PolarHBondContact O-N 2.92Å; F162-L165 CarbonylContact C-O 3.55Å; F162-L165 CarbonylContact O-C 3.56Å; F162-L165 VanDerWaalsContact O-C 3.31Å; L163-L165 CarbonylContact C-O 2.86Å; L165-S167 PolarHBondContact O-N 2.8Å |
| 166 | A | 74.1 | Confident | 81.9 | Confident | 90 Ų | 90 | 58.8 Ų | 58.8 | 74% | 0.744 | 35% | 0.353 | S | S | * | . | trans | 60.1 | -27.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | Q81 | Q81-A166 VanDerWaalsContact CD-N 3.27Š| ||
| 167 | S | 63.7 | Low | 81.9 | Confident | 79 Ų | 79 | 63.1 Ų | 63.1 | 55% | 0.552 | 38% | 0.375 | S | S | * | . | trans | -75.4 | 0 | 169.7 | -175.7 | 0 | 0 | 0 | 0 | 113.4 | W74 Q81 L163 L165 | W74-S167 WeakPolarHBondContact CZ2-OG 3.5Å; Q81-S167 PolarHBondContact OE1-O 2.82Å; L163-S167 WeakPolarHBondContact O-CB 3Å; L165-S167 PolarHBondContact O-N 2.8Å |
Retrieved 167 of 167 residues in 300.8 ms
(Link to these results)