| 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 | 39.1 | Very low | 47.7 | Very low | 245 Ų | 245 | 176 Ų | 176 | 100% | 1.207 | 87% | 0.866 | S | S | * | * | 0 | 144.9 | 0 | -68.6 | 169.3 | 176.8 | 0 | 0 | 107.4 | |||||
| 2 | Y | 35.5 | Very low | 46.8 | Very low | 225 Ų | 225 | 171.5 Ų | 171.5 | 88% | 0.882 | 87% | 0.865 | S | S | * | * | trans | -67.3 | 144.2 | -172 | -81.8 | -102.8 | 0 | 0 | 0 | 112.3 | ||||
| 3 | S | 54.8 | Low | 45.9 | Very low | 119 Ų | 119 | 163.5 Ų | 163.5 | 83% | 0.832 | 85% | 0.852 | S | S | * | * | trans | -136.3 | 96.2 | 155.8 | -165.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 4 | M | 56.7 | Low | 45.4 | Very low | 173 Ų | 173 | 164.5 Ų | 164.5 | 85% | 0.852 | 85% | 0.851 | S | S | * | * | trans | -140.4 | 80.5 | 165.9 | -78 | -145.2 | -49 | 0 | 0 | 107.5 | ||||
| 5 | M | 58.6 | Low | 45.1 | Very low | 172 Ų | 172 | 165.1 Ų | 165.1 | 85% | 0.847 | 85% | 0.848 | S | S | * | * | trans | -154.3 | 97.9 | 164.7 | -77.9 | -163.5 | -67.9 | 0 | 0 | 108.5 | ||||
| 6 | E | 55.3 | Low | 44.8 | Very low | 192 Ų | 192 | 165 Ų | 165 | 90% | 0.897 | 84% | 0.843 | S | S | * | * | trans | -143.6 | 111.9 | 134.6 | -75.4 | -151.2 | 139.7 | 0 | 0 | 107.7 | ||||
| 7 | H | 41.8 | Very low | 44.5 | Very low | 169 Ų | 169 | 165.7 Ų | 165.7 | 78% | 0.782 | 84% | 0.842 | S | S | * | * | trans | -101.2 | 107.1 | 170.7 | -93.2 | -104.2 | 0 | 0 | 0 | 107.1 | ||||
| 8 | E | 46.8 | Very low | 44.2 | Very low | 180 Ų | 180 | 164.6 Ų | 164.6 | 84% | 0.841 | 83% | 0.833 | S | S | * | * | trans | -96.5 | 117 | 167.4 | -84.7 | -60.9 | 130.4 | 0 | 0 | 110.3 | ||||
| 9 | L | 45.4 | Very low | 43.9 | Very low | 141 Ų | 141 | 165.1 Ų | 165.1 | 74% | 0.738 | 83% | 0.831 | S | S | * | * | trans | -142.5 | 102.3 | -175.6 | -110.8 | 175.3 | 0 | 0 | 0 | 109.2 | ||||
| 10 | K | 43.2 | Very low | 43.6 | Very low | 201 Ų | 201 | 165 Ų | 165 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | trans | 172.2 | 166.1 | 154.2 | -103.3 | 167.3 | -179.9 | 176.5 | 0 | 111.3 | ||||
| 11 | P | 47.1 | Very low | 43.3 | Very low | 119 Ų | 119 | 164.9 Ų | 164.9 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | cis | -125.5 | 174 | -22.3 | 31 | -12.8 | 0 | 0 | 0 | 113.3 | ||||
| 12 | S | 36.8 | Very low | 43.2 | Very low | 122 Ų | 122 | 160.1 Ų | 160.1 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -77.6 | 149.6 | 175.2 | 51.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 13 | G | 35.5 | Very low | 43.2 | Very low | 68 Ų | 68 | 155 Ų | 155 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | trans | 176.3 | 107.7 | 157.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 14 | Q | 39.2 | Very low | 42.3 | Very low | 177 Ų | 177 | 153 Ų | 153 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | trans | 62.2 | 156.1 | 146 | -60.6 | -179.4 | -5.2 | 0 | 0 | 118.1 | ||||
| 15 | Q | 40.8 | Very low | 41.4 | Very low | 173 Ų | 173 | 154.1 Ų | 154.1 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | cis | -149.8 | 173.1 | -7.9 | -128.7 | 170.8 | 23.8 | 0 | 0 | 110.7 | ||||
| 16 | Q | 40.5 | Very low | 40.3 | Very low | 164 Ų | 164 | 149.3 Ų | 149.3 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | trans | -92.6 | 135 | -176.7 | 172.9 | -175.3 | 55.2 | 0 | 0 | 111.4 | ||||
| 17 | Q | 39.5 | Very low | 39.7 | Very low | 177 Ų | 177 | 149.2 Ų | 149.2 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | trans | -148.2 | 133.3 | 153.7 | -154.2 | 159.4 | 61.3 | 0 | 0 | 112.1 | ||||
| 18 | Q | 39.6 | Very low | 39.8 | Very low | 146 Ų | 146 | 146.6 Ų | 146.6 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | trans | -98.5 | 143.3 | 176.3 | -57.5 | 171.7 | 8 | 0 | 0 | 108.9 | ||||
| 19 | H | 38.2 | Very low | 39.9 | Very low | 173 Ų | 173 | 144.1 Ų | 144.1 | 80% | 0.801 | 78% | 0.782 | S | S | * | * | trans | -139.6 | 121.1 | 153.9 | -90.8 | -78.9 | 0 | 0 | 0 | 110.6 | ||||
| 20 | H | 37.5 | Very low | 39.8 | Very low | 164 Ų | 164 | 144.2 Ų | 144.2 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | trans | -82 | 147.7 | 165.4 | -92.3 | 69.2 | 0 | 0 | 0 | 110.2 | ||||
| 21 | H | 37.5 | Very low | 39.6 | Very low | 162 Ų | 162 | 141 Ų | 141 | 75% | 0.75 | 79% | 0.785 | S | S | * | * | trans | 146.5 | 147.1 | 144.1 | -88.1 | 71.7 | 0 | 0 | 0 | 109.3 | ||||
| 22 | Q | 37.3 | Very low | 39 | Very low | 146 Ų | 146 | 139 Ų | 139 | 68% | 0.682 | 79% | 0.787 | S | S | * | * | cis | -174.3 | 140.6 | -24.6 | -119 | -158.4 | 70.2 | 0 | 0 | 103.6 | ||||
| 23 | T | 34.3 | Very low | 38.9 | Very low | 116 Ų | 116 | 140.2 Ų | 140.2 | 71% | 0.712 | 78% | 0.784 | S | S | * | * | trans | 54.3 | 115.4 | 141.9 | -34.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 24 | A | 36 | Very low | 39.3 | Very low | 78 Ų | 78 | 145.1 Ų | 145.1 | 65% | 0.645 | 79% | 0.792 | S | S | * | * | 156.4 | 134.6 | 103.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 25 | Q | 39.2 | Very low | 39.1 | Very low | 196 Ų | 196 | 139.4 Ų | 139.4 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | trans | 61.5 | 140.3 | 157.9 | -28.5 | -163.7 | 2.5 | 0 | 0 | 117.9 | ||||
| 26 | G | 35.6 | Very low | 38.9 | Very low | 72 Ų | 72 | 138.9 Ų | 138.9 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | cis | 127.7 | 60.7 | 6.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 27 | M | 42.8 | Very low | 38.9 | Very low | 189 Ų | 189 | 135.2 Ų | 135.2 | 93% | 0.931 | 78% | 0.776 | S | S | * | * | trans | -132.4 | 98.8 | 179.5 | -63.1 | -175.3 | 81.8 | 0 | 0 | 111.3 | ||||
| 28 | S | 44 | Very low | 38.7 | Very low | 115 Ų | 115 | 134.8 Ų | 134.8 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 142.6 | 168.7 | -54 | 0 | 0 | 0 | 0 | 110.5 | V30 | S28-V30 PolarHBondContact O-N 2.9Š|
| 29 | P | 46.9 | Very low | 38.8 | Very low | 128 Ų | 128 | 135.2 Ų | 135.2 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -71 | 125 | 169.7 | 29.1 | -32.2 | 0 | 0 | 0 | 110 | ||
| 30 | V | 44.1 | Very low | 38.6 | Very low | 142 Ų | 142 | 130.1 Ų | 130.1 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 136.9 | 178.7 | 66.9 | 0 | 0 | 0 | 0 | 111.6 | S28 G32 | S28-V30 PolarHBondContact O-N 2.9Å; V30-G32 PolarHBondContact O-N 3.45Å |
| 31 | T | 38.6 | Very low | 38.7 | Very low | 133 Ų | 133 | 128.5 Ų | 128.5 | 82% | 0.816 | 78% | 0.781 | S | S | * | * | trans | -74.9 | 114.5 | -179.5 | -29.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 32 | G | 35.5 | Very low | 39.3 | Very low | 79 Ų | 79 | 129.7 Ų | 129.7 | 81% | 0.814 | 78% | 0.784 | S | S | * | * | trans | -107 | 91.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V30 | V30-G32 PolarHBondContact O-N 3.45Š| ||
| 33 | N | 34.9 | Very low | 39.7 | Very low | 147 Ų | 147 | 128.6 Ų | 128.6 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | -95.5 | 115.2 | -178.5 | -179.3 | 51.4 | 0 | 0 | 0 | 111.3 | ||||
| 34 | I | 42.9 | Very low | 40.2 | Very low | 170 Ų | 170 | 129.7 Ų | 129.7 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | -126.3 | 122.6 | 162.4 | -58.6 | -179 | 0 | 0 | 0 | 107.2 | ||||
| 35 | G | 34.4 | Very low | 40.8 | Very low | 58 Ų | 58 | 130.1 Ų | 130.1 | 60% | 0.598 | 79% | 0.793 | S | S | * | * | trans | -104.9 | -171.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 36 | N | 37.1 | Very low | 41.4 | Very low | 162 Ų | 162 | 125.8 Ų | 125.8 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | trans | 70.1 | 138.1 | 178.3 | -86 | 2.9 | 0 | 0 | 0 | 117.6 | ||||
| 37 | S | 40.1 | Very low | 42.1 | Very low | 86 Ų | 86 | 128.7 Ų | 128.7 | 60% | 0.601 | 79% | 0.788 | S | S | * | * | cis | -173 | 167.8 | -15 | 41.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 38 | H | 36.3 | Very low | 42.5 | Very low | 169 Ų | 169 | 123.3 Ų | 123.3 | 78% | 0.782 | 78% | 0.781 | S | S | * | * | trans | 72.4 | 136.3 | 164.1 | -90.8 | 39.7 | 0 | 0 | 0 | 116.1 | ||||
| 39 | L | 40.9 | Very low | 42.9 | Very low | 155 Ų | 155 | 120.9 Ų | 120.9 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | cis | -148.5 | 153.7 | 2 | -88.6 | 155 | 0 | 0 | 0 | 109.4 | ||||
| 40 | G | 34.8 | Very low | 43.5 | Very low | 66 Ų | 66 | 120.3 Ų | 120.3 | 68% | 0.68 | 76% | 0.764 | S | S | * | * | trans | 139.3 | 61 | 161.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | K42 | G40-K42 PolarHBondContact O-N 2.88Š| ||
| 41 | S | 40.5 | Very low | 44.3 | Very low | 129 Ų | 129 | 118.9 Ų | 118.9 | 90% | 0.902 | 76% | 0.758 | S | S | * | * | trans | -60.8 | 98.2 | 176.1 | -54.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 42 | K | 48.9 | Very low | 45.4 | Very low | 188 Ų | 188 | 120.7 Ų | 120.7 | 82% | 0.817 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 137.1 | 160.6 | -70.3 | 178.6 | -179.3 | 169.7 | 0 | 108.1 | G40 V44 | G40-K42 PolarHBondContact O-N 2.88Å; K42-V44 PolarHBondContact O-N 3.25Å |
| 43 | P | 44.9 | Very low | 47.5 | Very low | 122 Ų | 122 | 122.3 Ų | 122.3 | 79% | 0.792 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 123.8 | 179.5 | 24.7 | -33.1 | 0 | 0 | 0 | 109.9 | C45 | P43-C45 PolarHBondContact O-N 3.19Š|
| 44 | V | 45.8 | Very low | 50 | Low | 139 Ų | 139 | 122.2 Ų | 122.2 | 84% | 0.842 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 117.9 | 179.4 | 171.6 | 0 | 0 | 0 | 0 | 109.3 | K42 | K42-V44 PolarHBondContact O-N 3.25Š|
| 45 | C | 48.5 | Very low | 52.5 | Low | 87 Ų | 87 | 116.3 Ų | 116.3 | 59% | 0.588 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 146.6 | 162.8 | -73.8 | 0 | 0 | 0 | 0 | 108.5 | P43 | P43-C45 PolarHBondContact O-N 3.19Š|
| 46 | P | 51.3 | Low | 55.4 | Low | 106 Ų | 106 | 122.1 Ų | 122.1 | 69% | 0.688 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 147.9 | -177.6 | 25.4 | -35 | 0 | 0 | 0 | 111.5 | G48 | P46-G48 PolarHBondContact O-N 3.29Š|
| 47 | P | 51.8 | Low | 58.3 | Low | 133 Ų | 133 | 122.3 Ų | 122.3 | 86% | 0.864 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -66.8 | 127.1 | -177.5 | 28.7 | -34.4 | 0 | 0 | 0 | 110.1 | ||
| 48 | G | 51.1 | Low | 61 | Low | 76 Ų | 76 | 120.2 Ų | 120.2 | 78% | 0.784 | 70% | 0.695 | S | S | * | * | trans | 167.1 | 74.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | P46 | P46-G48 PolarHBondContact O-N 3.29Š| ||
| 49 | G | 52.3 | Low | 64 | Low | 63 Ų | 63 | 115.6 Ų | 115.6 | 65% | 0.649 | 67% | 0.674 | S | S | * | * | trans | 87.2 | 137.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 50 | D | 58.7 | Low | 66.7 | Low | 116 Ų | 116 | 112.3 Ų | 112.3 | 62% | 0.62 | 66% | 0.658 | S | S | * | * | trans | -66.2 | 147.9 | 172 | -85.4 | -55.4 | 0 | 0 | 0 | 109.4 | M52 D53 | D50-M52 PolarHBondContact O-N 3.31Å; D50-D53 PolarHBondContact N-OD2 3.08Å; D50-D53 PolarHBondContact O-N 3.34Å | ||
| 51 | P | 61.7 | Low | 69.7 | Low | 113 Ų | 113 | 110 Ų | 110 | 73% | 0.734 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -10.1 | 180 | 26.3 | -34.9 | 0 | 0 | 0 | 113.5 | ||
| 52 | M | 61.1 | Low | 72.5 | Confident | 171 Ų | 171 | 106 Ų | 106 | 84% | 0.842 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -32 | 173.5 | -61.7 | -57.2 | -179.1 | 0 | 0 | 113.2 | D50 K54 | D50-M52 PolarHBondContact O-N 3.31Å; M52-K54 PolarHBondContact O-N 3.26Å |
| 53 | D | 79.3 | Confident | 74.9 | Confident | 112 Ų | 112 | 101.4 Ų | 101.4 | 60% | 0.599 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -17.9 | -179 | -55.8 | -34 | 0 | 0 | 0 | 112.4 | D50 V55 | D50-D53 PolarHBondContact N-OD2 3.08Å; D50-D53 PolarHBondContact O-N 3.34Å; D53-V55 PolarHBondContact O-N 3.06Å |
| 54 | K | 88.4 | Confident | 77.4 | Confident | 145 Ų | 145 | 96.9 Ų | 96.9 | 63% | 0.63 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -72.6 | 104.9 | -178 | -170.4 | -173.9 | 177.6 | -175.6 | 0 | 111.3 | M52 K56 | M52-K54 PolarHBondContact O-N 3.26Å; K54-K56 PolarHBondContact O-N 3.37Å; K54-K56 VanDerWaalsContact O-N 3.15Å |
| 55 | V | 94.2 | Very high | 79.9 | Confident | 46 Ų | 46 | 91 Ų | 91 | 28% | 0.279 | 51% | 0.514 | S | S | . | . | trans | -41.9 | 118 | 169.5 | -179 | 0 | 0 | 0 | 0 | 111.8 | D53 H115 Y119 Y122 | D53-V55 PolarHBondContact O-N 3.06Å; V55-H115 WeakPolarHBondContact CG1-CE1 3.19Å; V55-Y119 HydrophobicContact CB-CD1 4.49Å; V55-Y119 HydrophobicContact CG1-CD1 3.92Å; V55-Y119 HydrophobicContact CG1-CD2 3.77Å; V55-Y119 HydrophobicContact CG1-CE1 4.14Å; V55-Y119 HydrophobicContact CG1-CE2 3.99Å; V55-Y119 HydrophobicContact CG1-CG 3.72Å; V55-Y119 HydrophobicContact CG2-CD1 3.68Å; V55-Y119 HydrophobicContact CG2-CE1 3.72Å; V55-Y119 HydrophobicContact CG2-CG 4.32Å; V55-Y122 HydrophobicContact CB-CD2 3.96Å; V55-Y122 HydrophobicContact CB-CE2 4.03Å; V55-Y122 HydrophobicContact CG1-CD2 3.48Å; V55-Y122 VanDerWaalsContact CG1-CD2 3.48Å; V55-Y122 HydrophobicContact CG1-CE2 3.68Å; V55-Y122 HydrophobicContact CG1-CG 4.46Å; V55-Y122 WeakPolarHBondContact O-CE2 3.49Å | ||
| 56 | K | 95.8 | Very high | 82.3 | Confident | 180 Ų | 180 | 86.9 Ų | 86.9 | 78% | 0.783 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -83.8 | 146.9 | -176.2 | -67.6 | 164.8 | 71.7 | 171.7 | 0 | 110.3 | K54 H115 | K54-K56 PolarHBondContact O-N 3.37Å; K54-K56 VanDerWaalsContact O-N 3.15Å; K56-H115 PolarHBondContact O-CE1 3.02Å |
| 57 | R | 97.6 | Very high | 84.5 | Confident | 166 Ų | 166 | 90.4 Ų | 90.4 | 63% | 0.626 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 143.7 | 177.9 | -65.3 | 172.8 | 70.6 | -163.8 | 1.8 | 110.9 | Y122 Y124 | R57-Y122 WeakPolarHBondContact CG-OH 3.38Å; R57-Y124 HydrophobicContact CG-CD2 4.4Å |
| 58 | P | 98 | Very high | 86.6 | Confident | 43 Ų | 43 | 85.6 Ų | 85.6 | 28% | 0.279 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 153.6 | 170.3 | 27.9 | -32.7 | 0 | 0 | 0 | 110.5 | H115 | P58-H115 HydrophobicContact CB-CB 3.9Å; P58-H115 HydrophobicContact CG-CB 4.18Å |
| 59 | M | 98.1 | Very high | 88.8 | Confident | 71 Ų | 71 | 85.1 Ų | 85.1 | 35% | 0.35 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -76.5 | 131.1 | -175.3 | -156 | 170.4 | -66.3 | 0 | 0 | 110.5 | M63 V64 L111 | M59-M63 HydrophobicContact CG-CB 3.35Å; M59-M63 VanDerWaalsContact SD-C 3.53Å; M59-M63 HydrophobicContact SD-CB 4.22Å; M59-M63 VanDerWaalsContact SD-O 3.41Å; M59-V64 HydrophobicContact CB-CG2 3.85Å; M59-V64 HydrophobicContact CG-CG2 3.74Å; M59-V64 HydrophobicContact SD-CB 4.37Å; M59-V64 HydrophobicContact SD-CG2 3.94Å; M59-L111 HydrophobicContact CB-CD1 4Å |
| 60 | N | 98.6 | Very high | 91 | Very high | 87 Ų | 87 | 84.6 Ų | 84.6 | 47% | 0.465 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -83.3 | 167.2 | 173.1 | 75.4 | 16.6 | 0 | 0 | 0 | 111.1 | F62 M63 V64 | N60-F62 PolarHBondContact O-N 3.37Å; N60-F62 PolarHBondContact OD1-N 3.12Å; N60-M63 WeakPolarHBondContact O-CA 3.21Å; N60-M63 PolarHBondContact O-N 3.03Å; N60-M63 WeakPolarHBondContact OD1-CB 3.43Å; N60-M63 WeakPolarHBondContact OD1-CG 3.23Å; N60-M63 PolarHBondContact OD1-N 3.44Å; N60-V64 WeakPolarHBondContact O-CG2 3.41Å; N60-V64 PolarHBondContact O-N 3.09Å |
| 61 | A | 98.1 | Very high | 92.8 | Very high | 17 Ų | 17 | 87.2 Ų | 87.2 | 14% | 0.14 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -52.5 | -48.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | M63 V64 W65 W93 F104 I105 A108 | A61-M63 VanDerWaalsContact C-N 3.33Å; A61-M63 PolarHBondContact O-N 3.07Å; A61-V64 PolarHBondContact O-N 3.45Å; A61-W65 PolarHBondContact O-N 3.06Å; A61-W93 HydrophobicContact CB-CH2 4.06Å; A61-W93 HydrophobicContact CB-CZ2 4.1Å; A61-F104 WeakPolarHBondContact CA-O 3.46Å; A61-I105 HydrophobicContact CB-CB 4.47Å; A61-I105 HydrophobicContact CB-CG1 3.84Å; A61-A108 HydrophobicContact CB-CB 4.11Å; A61-A108 VanDerWaalsContact N-CB 3.3Å |
| 62 | F | 98.4 | Very high | 94.5 | Very high | 46 Ų | 46 | 86.9 Ų | 86.9 | 20% | 0.202 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.8 | -39.2 | 175.8 | 171.7 | -98.1 | 0 | 0 | 0 | 112.7 | N60 W65 S66 W93 | N60-F62 PolarHBondContact O-N 3.37Å; N60-F62 PolarHBondContact OD1-N 3.12Å; F62-W65 AromaticContact CD2-CE3 3.99Å; F62-W65 HydrophobicContact CD2-CE3 3.99Å; F62-W65 HydrophobicContact CD2-CZ3 4.07Å; F62-W65 HydrophobicContact CE2-CE3 4.11Å; F62-W65 AromaticContact CE2-CZ3 3.77Å; F62-W65 HydrophobicContact CE2-CZ3 3.77Å; F62-S66 WeakPolarHBondContact O-CB 3.45Å; F62-S66 PolarHBondContact O-N 3.06Å; F62-S66 PolarHBondContact O-OG 3.38Å; F62-W93 HydrophobicContact CB-CD2 4.42Å; F62-W93 HydrophobicContact CD2-CB 3.78Å; F62-W93 AromaticContact CD2-CD1 3.91Å; F62-W93 AromaticContact CD2-CD2 3.95Å; F62-W93 HydrophobicContact CD2-CD2 3.95Å; F62-W93 AromaticContact CD2-CG 3.57Å; F62-W93 HydrophobicContact CD2-CG 3.57Å; F62-W93 HydrophobicContact CE2-CB 3.95Å; F62-W93 HydrophobicContact CE2-CG 4.24Å |
| 63 | M | 98.4 | Very high | 96.2 | Very high | 90 Ų | 90 | 79.7 Ų | 79.7 | 44% | 0.443 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -71.2 | -34.1 | 178.4 | -68.8 | -69 | 176.6 | 0 | 0 | 112 | M59 N60 A61 R67 | M59-M63 HydrophobicContact CG-CB 3.35Å; M59-M63 VanDerWaalsContact SD-C 3.53Å; M59-M63 HydrophobicContact SD-CB 4.22Å; M59-M63 VanDerWaalsContact SD-O 3.41Å; N60-M63 WeakPolarHBondContact O-CA 3.21Å; N60-M63 PolarHBondContact O-N 3.03Å; N60-M63 WeakPolarHBondContact OD1-CB 3.43Å; N60-M63 WeakPolarHBondContact OD1-CG 3.23Å; N60-M63 PolarHBondContact OD1-N 3.44Å; A61-M63 VanDerWaalsContact C-N 3.33Å; A61-M63 PolarHBondContact O-N 3.07Å; M63-R67 PolarHBondContact O-N 2.89Å |
| 64 | V | 98.4 | Very high | 97 | Very high | 28 Ų | 28 | 76.4 Ų | 76.4 | 17% | 0.17 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.1 | -55.7 | 172.9 | 177 | 0 | 0 | 0 | 0 | 109.8 | M59 N60 A61 R67 F104 E107 A108 L111 | M59-V64 HydrophobicContact CB-CG2 3.85Å; M59-V64 HydrophobicContact CG-CG2 3.74Å; M59-V64 HydrophobicContact SD-CB 4.37Å; M59-V64 HydrophobicContact SD-CG2 3.94Å; N60-V64 WeakPolarHBondContact O-CG2 3.41Å; N60-V64 PolarHBondContact O-N 3.09Å; A61-V64 PolarHBondContact O-N 3.45Å; V64-R67 WeakPolarHBondContact O-CB 2.78Å; V64-R67 PolarHBondContact O-N 2.96Å; V64-F104 HydrophobicContact CG1-CD1 4.15Å; V64-E107 HydrophobicContact CG1-CB 4.39Å; V64-E107 HydrophobicContact CG1-CG 3.79Å; V64-E107 HydrophobicContact CG2-CG 4.49Å; V64-A108 HydrophobicContact CG2-CB 4.37Å; V64-L111 HydrophobicContact CG2-CD1 3.75Å |
| 65 | W | 98.4 | Very high | 97.4 | Very high | 15 Ų | 15 | 76 Ų | 76 | 6% | 0.057 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.9 | -52.2 | 179 | 169.9 | 83.3 | 0 | 0 | 0 | 112.6 | A61 F62 R67 G68 Q69 L89 E92 W93 L96 F104 | A61-W65 PolarHBondContact O-N 3.06Å; F62-W65 AromaticContact CD2-CE3 3.99Å; F62-W65 HydrophobicContact CD2-CE3 3.99Å; F62-W65 HydrophobicContact CD2-CZ3 4.07Å; F62-W65 HydrophobicContact CE2-CE3 4.11Å; F62-W65 AromaticContact CE2-CZ3 3.77Å; F62-W65 HydrophobicContact CE2-CZ3 3.77Å; W65-R67 PolarHBondContact O-N 3.05Å; W65-R67 VanDerWaalsContact O-N 3.1Å; W65-G68 PolarHBondContact O-N 2.9Å; W65-Q69 HydrophobicContact CD2-CG 4.26Å; W65-Q69 HydrophobicContact CH2-CG 4.41Å; W65-Q69 HydrophobicContact CZ2-CB 4.48Å; W65-Q69 HydrophobicContact CZ2-CG 3.78Å; W65-L89 HydrophobicContact CH2-CB 4.08Å; W65-L89 HydrophobicContact CH2-CD2 3.81Å; W65-L89 VanDerWaalsContact CH2-O 3.3Å; W65-L89 WeakPolarHBondContact CH2-O 3.49Å; W65-L89 HydrophobicContact CZ3-CB 3.91Å; W65-L89 HydrophobicContact CZ3-CD2 4.2Å; W65-L89 VanDerWaalsContact CZ3-O 3.27Å; W65-L89 WeakPolarHBondContact CZ3-O 3.45Å; W65-E92 HydrophobicContact CH2-CB 3.86Å; W65-E92 HydrophobicContact CZ2-CB 4.18Å; W65-W93 HydrophobicContact CB-CE3 4.05Å; W65-W93 HydrophobicContact CB-CZ3 3.62Å; W65-W93 AromaticContact CD2-CE3 3.5Å; W65-W93 HydrophobicContact CD2-CE3 3.5Å; W65-W93 AromaticContact CD2-CZ3 3.96Å; W65-W93 HydrophobicContact CD2-CZ3 3.96Å; W65-W93 HydrophobicContact CE3-CB 4.2Å; W65-W93 HydrophobicContact CE3-CD2 4.25Å; W65-W93 AromaticContact CE3-CE3 3.56Å; W65-W93 HydrophobicContact CE3-CE3 3.56Å; W65-W93 HydrophobicContact CE3-CZ3 4.33Å; W65-W93 AromaticContact CG-CE3 3.72Å; W65-W93 HydrophobicContact CG-CE3 3.72Å; W65-W93 AromaticContact CG-CZ3 3.63Å; W65-W93 HydrophobicContact CG-CZ3 3.63Å; W65-W93 HydrophobicContact CH2-CB 4.08Å; W65-W93 HydrophobicContact CZ3-CB 3.74Å; W65-W93 HydrophobicContact CZ3-CE3 4.24Å; W65-L96 HydrophobicContact CD2-CD1 4.43Å; W65-L96 HydrophobicContact CZ2-CD1 3.94Å; W65-F104 HydrophobicContact CB-CB 4.18Å; W65-F104 HydrophobicContact CB-CD1 3.77Å; W65-F104 HydrophobicContact CB-CD2 4.15Å; W65-F104 HydrophobicContact CB-CE1 4.21Å; W65-F104 HydrophobicContact CB-CG 3.74Å; W65-F104 AromaticContact CD1-CD2 3.89Å; W65-F104 AromaticContact CD1-CE2 3.59Å; W65-F104 AromaticContact CD1-CZ 3.7Å; W65-F104 HydrophobicContact CG-CD2 4.36Å; W65-F104 HydrophobicContact CG-CE2 4.43Å; W65-F104 HydrophobicContact CG-CG 4.41Å |
| 66 | S | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 79.2 Ų | 79.2 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.5 | -15.9 | -175.4 | 67.8 | 0 | 0 | 0 | 0 | 113.2 | F62 R70 | F62-S66 WeakPolarHBondContact O-CB 3.45Å; F62-S66 PolarHBondContact O-N 3.06Å; F62-S66 PolarHBondContact O-OG 3.38Å; S66-R70 WeakPolarHBondContact O-CB 3.49Å; S66-R70 PolarHBondContact O-N 3.14Å; S66-R70 PolarHBondContact O-NH1 3.27Å; S66-R70 VanDerWaalsContact O-NH1 3.07Å; S66-R70 PolarHBondContact OG-NH1 3.07Å |
| 67 | R | 97.6 | Very high | 97.2 | Very high | 180 Ų | 180 | 74 Ų | 74 | 68% | 0.679 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.4 | -43.8 | 175.2 | -171.9 | 179.6 | -177.7 | -167.2 | -0 | 111.6 | M63 V64 W65 | M63-R67 PolarHBondContact O-N 2.89Å; V64-R67 WeakPolarHBondContact O-CB 2.78Å; V64-R67 PolarHBondContact O-N 2.96Å; W65-R67 PolarHBondContact O-N 3.05Å; W65-R67 VanDerWaalsContact O-N 3.1Å |
| 68 | G | 96.6 | Very high | 97 | Very high | 33 Ų | 33 | 71.5 Ų | 71.5 | 34% | 0.34 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -69.9 | -52.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | W65 R70 R71 K72 | W65-G68 PolarHBondContact O-N 2.9Å; G68-R70 PolarHBondContact O-N 3.08Å; G68-R71 WeakPolarHBondContact O-CB 3.33Å; G68-R71 PolarHBondContact O-N 3.05Å; G68-R71 VanDerWaalsContact O-N 3.14Å; G68-K72 PolarHBondContact O-N 2.89Å; G68-K72 VanDerWaalsContact O-N 3.08Å |
| 69 | Q | 97.6 | Very high | 96.8 | Very high | 65 Ų | 65 | 79.5 Ų | 79.5 | 30% | 0.304 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.5 | -40.3 | -175.6 | -55.3 | -56.2 | -14.2 | 0 | 0 | 112.8 | W65 R71 K72 M73 L89 | W65-Q69 HydrophobicContact CD2-CG 4.26Å; W65-Q69 HydrophobicContact CH2-CG 4.41Å; W65-Q69 HydrophobicContact CZ2-CB 4.48Å; W65-Q69 HydrophobicContact CZ2-CG 3.78Å; Q69-R71 VanDerWaalsContact C-N 3.26Å; Q69-R71 PolarHBondContact O-N 2.77Å; Q69-K72 PolarHBondContact O-N 3.46Å; Q69-M73 WeakPolarHBondContact O-CG 3.43Å; Q69-M73 PolarHBondContact O-N 2.91Å; Q69-L89 HydrophobicContact CB-CD2 3.37Å; Q69-L89 HydrophobicContact CG-CD2 4.38Å |
| 70 | R | 97.8 | Very high | 96.7 | Very high | 53 Ų | 53 | 77.8 Ų | 77.8 | 20% | 0.2 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -58.4 | -37.9 | 173.6 | -177.6 | -173.3 | -72.1 | 101 | -0.9 | 112.3 | S66 G68 A74 I85 L89 | S66-R70 WeakPolarHBondContact O-CB 3.49Å; S66-R70 PolarHBondContact O-N 3.14Å; S66-R70 PolarHBondContact O-NH1 3.27Å; S66-R70 VanDerWaalsContact O-NH1 3.07Å; S66-R70 PolarHBondContact OG-NH1 3.07Å; G68-R70 PolarHBondContact O-N 3.08Å; R70-A74 VanDerWaalsContact O-CB 3.23Å; R70-A74 WeakPolarHBondContact O-CB 3.34Å; R70-A74 PolarHBondContact O-N 3.1Å; R70-A74 VanDerWaalsContact O-N 3.07Å; R70-I85 HydrophobicContact CB-CG2 4.22Å; R70-I85 HydrophobicContact CG-CG2 3.9Å; R70-L89 HydrophobicContact CB-CD1 3.69Å; R70-L89 HydrophobicContact CG-CD1 4.48Å |
| 71 | R | 97.6 | Very high | 96.6 | Very high | 170 Ų | 170 | 80.2 Ų | 80.2 | 64% | 0.642 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -68 | -45.5 | 177 | -179.4 | 175.6 | 62.3 | -171.9 | 0.1 | 111 | G68 Q69 A74 Q75 | G68-R71 WeakPolarHBondContact O-CB 3.33Å; G68-R71 PolarHBondContact O-N 3.05Å; G68-R71 VanDerWaalsContact O-N 3.14Å; Q69-R71 VanDerWaalsContact C-N 3.26Å; Q69-R71 PolarHBondContact O-N 2.77Å; R71-A74 PolarHBondContact O-N 2.91Å; R71-Q75 WeakPolarHBondContact O-CG 3.4Å; R71-Q75 PolarHBondContact O-N 3.19Å |
| 72 | K | 97.3 | Very high | 96.4 | Very high | 107 Ų | 107 | 83.3 Ų | 83.3 | 47% | 0.465 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -56.6 | -55.3 | 175.3 | -179.9 | -177.9 | 170.6 | -176.5 | 0 | 111.1 | G68 Q69 A74 Q75 E76 | G68-K72 PolarHBondContact O-N 2.89Å; G68-K72 VanDerWaalsContact O-N 3.08Å; Q69-K72 PolarHBondContact O-N 3.46Å; K72-A74 VanDerWaalsContact C-N 3.3Å; K72-A74 PolarHBondContact O-N 3.3Å; K72-Q75 WeakPolarHBondContact O-CB 3.45Å; K72-Q75 PolarHBondContact O-N 2.97Å; K72-E76 WeakPolarHBondContact CE-OE1 3.47Å; K72-E76 WeakPolarHBondContact CG-OE1 3.4Å; K72-E76 IonicContact NZ-OE1 3.55Å; K72-E76 WeakPolarHBondContact O-CG 3.3Å; K72-E76 PolarHBondContact O-N 2.96Å |
| 73 | M | 95.9 | Very high | 96.3 | Very high | 19 Ų | 19 | 84.4 Ų | 84.4 | 9% | 0.094 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60.6 | -36.1 | -179.7 | -65.6 | -174.7 | 79 | 0 | 0 | 113.4 | Q69 N77 M80 I85 R88 L89 | Q69-M73 WeakPolarHBondContact O-CG 3.43Å; Q69-M73 PolarHBondContact O-N 2.91Å; M73-N77 WeakPolarHBondContact O-CB 3.35Å; M73-N77 PolarHBondContact O-N 3.24Å; M73-M80 HydrophobicContact CE-SD 4.48Å; M73-I85 HydrophobicContact CB-CG1 4.38Å; M73-I85 HydrophobicContact CB-CG2 4.01Å; M73-I85 HydrophobicContact SD-CG2 3.91Å; M73-R88 HydrophobicContact CE-CB 3.87Å; M73-R88 HydrophobicContact CE-CG 4.39Å; M73-L89 HydrophobicContact SD-CD2 3.55Å; M73-L89 VanDerWaalsContact SD-CD2 3.55Å; M73-L89 HydrophobicContact SD-CG 3.83Å |
| 74 | A | 96.7 | Very high | 96.3 | Very high | 43 Ų | 43 | 82.7 Ų | 82.7 | 36% | 0.355 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -71.5 | -28.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R70 R71 K72 N77 P78 I85 | R70-A74 VanDerWaalsContact O-CB 3.23Å; R70-A74 WeakPolarHBondContact O-CB 3.34Å; R70-A74 PolarHBondContact O-N 3.1Å; R70-A74 VanDerWaalsContact O-N 3.07Å; R71-A74 PolarHBondContact O-N 2.91Å; K72-A74 VanDerWaalsContact C-N 3.3Å; K72-A74 PolarHBondContact O-N 3.3Å; A74-N77 CarbonylContact O-C 3.5Å; A74-P78 WeakPolarHBondContact O-CA 3.42Å; A74-I85 HydrophobicContact CB-CD1 4.01Å |
| 75 | Q | 96.7 | Very high | 96.3 | Very high | 137 Ų | 137 | 81.5 Ų | 81.5 | 64% | 0.64 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -75.8 | -43.2 | 173.2 | -73.1 | 169.9 | -25.8 | 0 | 0 | 111.2 | R71 K72 N77 P78 | R71-Q75 WeakPolarHBondContact O-CG 3.4Å; R71-Q75 PolarHBondContact O-N 3.19Å; K72-Q75 WeakPolarHBondContact O-CB 3.45Å; K72-Q75 PolarHBondContact O-N 2.97Å; Q75-N77 VanDerWaalsContact C-N 3.33Å; Q75-P78 WeakPolarHBondContact O-CD 3.27Å |
| 76 | E | 94.8 | Very high | 96.2 | Very high | 113 Ų | 113 | 82.6 Ų | 82.6 | 53% | 0.528 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -67.8 | -32.3 | 176.5 | -68 | 168.3 | 167.7 | 0 | 0 | 112.4 | K72 | K72-E76 WeakPolarHBondContact CE-OE1 3.47Å; K72-E76 WeakPolarHBondContact CG-OE1 3.4Å; K72-E76 IonicContact NZ-OE1 3.55Å; K72-E76 WeakPolarHBondContact O-CG 3.3Å; K72-E76 PolarHBondContact O-N 2.96Å |
| 77 | N | 90.8 | Very high | 96.2 | Very high | 71 Ų | 71 | 89.1 Ų | 89.1 | 38% | 0.38 | 44% | 0.435 | S | S | . | . | trans | -132.1 | 73.7 | -178.3 | -62.4 | -101.4 | 0 | 0 | 0 | 111.6 | M73 A74 Q75 K79 M80 | M73-N77 WeakPolarHBondContact O-CB 3.35Å; M73-N77 PolarHBondContact O-N 3.24Å; A74-N77 CarbonylContact O-C 3.5Å; Q75-N77 VanDerWaalsContact C-N 3.33Å; N77-K79 PolarHBondContact O-N 2.94Å; N77-M80 HydrophobicContact CB-CB 3.71Å; N77-M80 HydrophobicContact CB-CE 3.84Å; N77-M80 WeakPolarHBondContact O-CB 3.23Å; N77-M80 PolarHBondContact O-N 3.23Å | ||
| 78 | P | 93 | Very high | 96.3 | Very high | 113 Ų | 113 | 85.9 Ų | 85.9 | 73% | 0.734 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -21.4 | -175.8 | -25.8 | 36.2 | 0 | 0 | 0 | 115 | A74 Q75 | A74-P78 WeakPolarHBondContact O-CA 3.42Å; Q75-P78 WeakPolarHBondContact O-CD 3.27Å |
| 79 | K | 94.9 | Very high | 96.3 | Very high | 211 Ų | 211 | 84.3 Ų | 84.3 | 92% | 0.917 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -10.2 | 175.6 | -64 | -178.3 | 179.5 | 178.3 | 0 | 113.6 | N77 | N77-K79 PolarHBondContact O-N 2.94Š|
| 80 | M | 94.2 | Very high | 96.4 | Very high | 36 Ų | 36 | 82.4 Ų | 82.4 | 18% | 0.177 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -79.5 | 123.5 | -176.7 | -170.6 | -176.9 | -65.2 | 0 | 0 | 110.9 | M73 N77 E84 I85 | M73-M80 HydrophobicContact CE-SD 4.48Å; N77-M80 HydrophobicContact CB-CB 3.71Å; N77-M80 HydrophobicContact CB-CE 3.84Å; N77-M80 WeakPolarHBondContact O-CB 3.23Å; N77-M80 PolarHBondContact O-N 3.23Å; M80-E84 HydrophobicContact CG-CB 3.97Å; M80-E84 HydrophobicContact CG-CG 3.81Å; M80-E84 HydrophobicContact SD-CB 4.45Å; M80-E84 HydrophobicContact SD-CG 3.9Å; M80-I85 HydrophobicContact CB-CD1 4.47Å; M80-I85 HydrophobicContact CB-CG1 4.33Å; M80-I85 HydrophobicContact CG-CD1 4.49Å; M80-I85 HydrophobicContact CG-CG1 3.84Å; M80-I85 HydrophobicContact SD-CG1 3.57Å; M80-I85 VanDerWaalsContact SD-CG1 3.57Å |
| 81 | H | 96.4 | Very high | 96.4 | Very high | 138 Ų | 138 | 82.4 Ų | 82.4 | 64% | 0.639 | 42% | 0.416 | S | S | * | . | trans | -71.6 | 149.8 | -178.7 | -164.8 | 62.8 | 0 | 0 | 0 | 112.5 | S83 E84 I85 | H81-S83 PolarHBondContact CD2-OG 3.37Å; H81-S83 PolarHBondContact O-N 2.79Å; H81-S83 VanDerWaalsContact O-N 3.15Å; H81-E84 WeakPolarHBondContact O-CB 3.45Å; H81-E84 PolarHBondContact O-N 3.24Å; H81-I85 PolarHBondContact O-N 3.09Å | ||
| 82 | N | 95.3 | Very high | 96.4 | Very high | 82 Ų | 82 | 78 Ų | 78 | 44% | 0.439 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.6 | -28.3 | -172.5 | -162.8 | -74.9 | 0 | 0 | 0 | 113.9 | E84 S86 | N82-E84 VanDerWaalsContact C-N 3.32Å; N82-S86 VanDerWaalsContact O-CB 3.26Å; N82-S86 WeakPolarHBondContact O-CB 3.32Å; N82-S86 PolarHBondContact O-N 2.97Å; N82-S86 PolarHBondContact O-OG 2.62Å; N82-S86 PolarHBondContact OD1-OG 3.32Å |
| 83 | S | 96.9 | Very high | 96.4 | Very high | 68 Ų | 68 | 75 Ų | 75 | 48% | 0.476 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.1 | -34 | 174.7 | 65.6 | 0 | 0 | 0 | 0 | 112.5 | H81 K87 | H81-S83 PolarHBondContact CD2-OG 3.37Å; H81-S83 PolarHBondContact O-N 2.79Å; H81-S83 VanDerWaalsContact O-N 3.15Å; S83-K87 WeakPolarHBondContact O-CE 3.3Å; S83-K87 WeakPolarHBondContact O-CG 3.41Å; S83-K87 PolarHBondContact O-N 3Å; S83-K87 VanDerWaalsContact O-N 3.08Å |
| 84 | E | 97.6 | Very high | 96.5 | Very high | 54 Ų | 54 | 82.3 Ų | 82.3 | 25% | 0.252 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -74 | -46.6 | 176 | -179.9 | 58.3 | -161.2 | 0 | 0 | 110.9 | M80 H81 N82 S86 K87 R88 | M80-E84 HydrophobicContact CG-CB 3.97Å; M80-E84 HydrophobicContact CG-CG 3.81Å; M80-E84 HydrophobicContact SD-CB 4.45Å; M80-E84 HydrophobicContact SD-CG 3.9Å; H81-E84 WeakPolarHBondContact O-CB 3.45Å; H81-E84 PolarHBondContact O-N 3.24Å; N82-E84 VanDerWaalsContact C-N 3.32Å; E84-S86 VanDerWaalsContact C-N 3.3Å; E84-S86 PolarHBondContact O-N 3.15Å; E84-K87 WeakPolarHBondContact O-CB 3.43Å; E84-K87 PolarHBondContact O-N 3.36Å; E84-K87 VanDerWaalsContact O-N 3.15Å; E84-K87 VanDerWaalsContact OE2-CE 3.3Å; E84-K87 WeakPolarHBondContact OE2-CE 3.36Å; E84-K87 IonicContact OE2-NZ 2.72Å; E84-K87 PolarHBondContact OE2-NZ 3.15Å; E84-R88 PolarHBondContact O-N 3.2Å; E84-R88 VanDerWaalsContact O-N 3.09Å; E84-R88 IonicContact OE1-CZ 3.86Å; E84-R88 VanDerWaalsContact OE1-CZ 3.29Å; E84-R88 IonicContact OE1-NE 2.89Å; E84-R88 PolarHBondContact OE1-NE 3.09Å; E84-R88 IonicContact OE1-NH2 3.29Å; E84-R88 PolarHBondContact OE1-NH2 2.94Å |
| 85 | I | 97.5 | Very high | 96.6 | Very high | 3 Ų | 3 | 87.2 Ų | 87.2 | 2% | 0.015 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -54.8 | -48.2 | 172.3 | -62.8 | 171.5 | 0 | 0 | 0 | 110.1 | R70 M73 A74 M80 H81 K87 R88 L89 | R70-I85 HydrophobicContact CB-CG2 4.22Å; R70-I85 HydrophobicContact CG-CG2 3.9Å; M73-I85 HydrophobicContact CB-CG1 4.38Å; M73-I85 HydrophobicContact CB-CG2 4.01Å; M73-I85 HydrophobicContact SD-CG2 3.91Å; A74-I85 HydrophobicContact CB-CD1 4.01Å; M80-I85 HydrophobicContact CB-CD1 4.47Å; M80-I85 HydrophobicContact CB-CG1 4.33Å; M80-I85 HydrophobicContact CG-CD1 4.49Å; M80-I85 HydrophobicContact CG-CG1 3.84Å; M80-I85 HydrophobicContact SD-CG1 3.57Å; M80-I85 VanDerWaalsContact SD-CG1 3.57Å; H81-I85 PolarHBondContact O-N 3.09Å; I85-K87 VanDerWaalsContact C-N 3.32Å; I85-K87 PolarHBondContact O-N 3.19Å; I85-R88 PolarHBondContact O-N 3.28Å; I85-L89 HydrophobicContact CG2-CD1 3.74Å; I85-L89 HydrophobicContact CG2-CG 4.19Å; I85-L89 WeakPolarHBondContact O-CB 3.33Å; I85-L89 VanDerWaalsContact O-CG 3.27Å; I85-L89 WeakPolarHBondContact O-CG 3.34Å; I85-L89 PolarHBondContact O-N 2.96Å |
| 86 | S | 97.9 | Very high | 96.6 | Very high | 39 Ų | 39 | 82.3 Ų | 82.3 | 27% | 0.273 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.9 | -29.6 | -179 | -62.5 | 0 | 0 | 0 | 0 | 113.5 | N82 E84 G90 | N82-S86 VanDerWaalsContact O-CB 3.26Å; N82-S86 WeakPolarHBondContact O-CB 3.32Å; N82-S86 PolarHBondContact O-N 2.97Å; N82-S86 PolarHBondContact O-OG 2.62Å; N82-S86 PolarHBondContact OD1-OG 3.32Å; E84-S86 VanDerWaalsContact C-N 3.3Å; E84-S86 PolarHBondContact O-N 3.15Å; S86-G90 PolarHBondContact O-N 2.98Å; S86-G90 VanDerWaalsContact O-N 3.13Å |
| 87 | K | 98.2 | Very high | 96.8 | Very high | 136 Ų | 136 | 80.5 Ų | 80.5 | 59% | 0.591 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -64.4 | -49.5 | 170.7 | -86 | -177.4 | -83 | 152.2 | 0 | 111.4 | S83 E84 I85 G90 A91 | S83-K87 WeakPolarHBondContact O-CE 3.3Å; S83-K87 WeakPolarHBondContact O-CG 3.41Å; S83-K87 PolarHBondContact O-N 3Å; S83-K87 VanDerWaalsContact O-N 3.08Å; E84-K87 WeakPolarHBondContact O-CB 3.43Å; E84-K87 PolarHBondContact O-N 3.36Å; E84-K87 VanDerWaalsContact O-N 3.15Å; E84-K87 VanDerWaalsContact OE2-CE 3.3Å; E84-K87 WeakPolarHBondContact OE2-CE 3.36Å; E84-K87 IonicContact OE2-NZ 2.72Å; E84-K87 PolarHBondContact OE2-NZ 3.15Å; I85-K87 VanDerWaalsContact C-N 3.32Å; I85-K87 PolarHBondContact O-N 3.19Å; K87-G90 PolarHBondContact O-N 2.67Å; K87-A91 PolarHBondContact O-N 3.03Å |
| 88 | R | 97.9 | Very high | 97.1 | Very high | 112 Ų | 112 | 82.9 Ų | 82.9 | 42% | 0.423 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63 | -48.3 | -179.6 | -65.8 | 177.6 | -172.4 | -152.3 | 2.1 | 112.2 | M73 E84 I85 G90 A91 E92 | M73-R88 HydrophobicContact CE-CB 3.87Å; M73-R88 HydrophobicContact CE-CG 4.39Å; E84-R88 PolarHBondContact O-N 3.2Å; E84-R88 VanDerWaalsContact O-N 3.09Å; E84-R88 IonicContact OE1-CZ 3.86Å; E84-R88 VanDerWaalsContact OE1-CZ 3.29Å; E84-R88 IonicContact OE1-NE 2.89Å; E84-R88 PolarHBondContact OE1-NE 3.09Å; E84-R88 IonicContact OE1-NH2 3.29Å; E84-R88 PolarHBondContact OE1-NH2 2.94Å; I85-R88 PolarHBondContact O-N 3.28Å; R88-G90 PolarHBondContact O-N 3.31Å; R88-A91 WeakPolarHBondContact O-CA 3.39Å; R88-A91 WeakPolarHBondContact O-CB 3.33Å; R88-A91 PolarHBondContact O-N 2.65Å; R88-E92 PolarHBondContact O-N 3.41Å |
| 89 | L | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 81.1 Ų | 81.1 | 0% | 0 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -58.8 | -33.7 | 174.5 | -66.4 | 178.6 | 0 | 0 | 0 | 112.8 | W65 Q69 R70 M73 I85 A91 W93 | W65-L89 HydrophobicContact CH2-CB 4.08Å; W65-L89 HydrophobicContact CH2-CD2 3.81Å; W65-L89 VanDerWaalsContact CH2-O 3.3Å; W65-L89 WeakPolarHBondContact CH2-O 3.49Å; W65-L89 HydrophobicContact CZ3-CB 3.91Å; W65-L89 HydrophobicContact CZ3-CD2 4.2Å; W65-L89 VanDerWaalsContact CZ3-O 3.27Å; W65-L89 WeakPolarHBondContact CZ3-O 3.45Å; Q69-L89 HydrophobicContact CB-CD2 3.37Å; Q69-L89 HydrophobicContact CG-CD2 4.38Å; R70-L89 HydrophobicContact CB-CD1 3.69Å; R70-L89 HydrophobicContact CG-CD1 4.48Å; M73-L89 HydrophobicContact SD-CD2 3.55Å; M73-L89 VanDerWaalsContact SD-CD2 3.55Å; M73-L89 HydrophobicContact SD-CG 3.83Å; I85-L89 HydrophobicContact CG2-CD1 3.74Å; I85-L89 HydrophobicContact CG2-CG 4.19Å; I85-L89 WeakPolarHBondContact O-CB 3.33Å; I85-L89 VanDerWaalsContact O-CG 3.27Å; I85-L89 WeakPolarHBondContact O-CG 3.34Å; I85-L89 PolarHBondContact O-N 2.96Å; L89-A91 VanDerWaalsContact C-N 3.3Å; L89-A91 PolarHBondContact O-N 2.99Å; L89-W93 VanDerWaalsContact O-CB 3.31Å; L89-W93 WeakPolarHBondContact O-CB 3.28Å; L89-W93 PolarHBondContact O-N 3.01Å |
| 90 | G | 98.2 | Very high | 97.5 | Very high | 25 Ų | 25 | 75.6 Ų | 75.6 | 26% | 0.258 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67.9 | -26.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | S86 K87 R88 K94 | S86-G90 PolarHBondContact O-N 2.98Å; S86-G90 VanDerWaalsContact O-N 3.13Å; K87-G90 PolarHBondContact O-N 2.67Å; R88-G90 PolarHBondContact O-N 3.31Å; G90-K94 WeakPolarHBondContact O-CG 3.32Å |
| 91 | A | 98.2 | Very high | 97.7 | Very high | 53 Ų | 53 | 75.3 Ų | 75.3 | 44% | 0.438 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -80.6 | -49.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111 | K87 R88 L89 W93 K94 L95 | K87-A91 PolarHBondContact O-N 3.03Å; R88-A91 WeakPolarHBondContact O-CA 3.39Å; R88-A91 WeakPolarHBondContact O-CB 3.33Å; R88-A91 PolarHBondContact O-N 2.65Å; L89-A91 VanDerWaalsContact C-N 3.3Å; L89-A91 PolarHBondContact O-N 2.99Å; A91-W93 VanDerWaalsContact C-N 3.32Å; A91-W93 PolarHBondContact O-N 2.98Å; A91-K94 WeakPolarHBondContact O-CB 3.49Å; A91-K94 PolarHBondContact O-N 3.33Å; A91-L95 PolarHBondContact O-N 3.23Å |
| 92 | E | 97.9 | Very high | 97.8 | Very high | 77 Ų | 77 | 76.6 Ų | 76.6 | 36% | 0.36 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -53.9 | -46.1 | 175.9 | -72.9 | 169.2 | -158.1 | 0 | 0 | 112.1 | W65 R88 K94 L95 L96 | W65-E92 HydrophobicContact CH2-CB 3.86Å; W65-E92 HydrophobicContact CZ2-CB 4.18Å; R88-E92 PolarHBondContact O-N 3.41Å; E92-K94 PolarHBondContact O-N 3Å; E92-L95 PolarHBondContact O-N 3.18Å; E92-L96 PolarHBondContact O-N 3.26Å |
| 93 | W | 98.3 | Very high | 98 | Very high | 46 Ų | 46 | 76.3 Ų | 76.3 | 17% | 0.174 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -59.2 | -30.3 | 177.4 | 179.5 | -101.4 | 0 | 0 | 0 | 113.9 | A61 F62 W65 L89 A91 L96 K101 F104 | A61-W93 HydrophobicContact CB-CH2 4.06Å; A61-W93 HydrophobicContact CB-CZ2 4.1Å; F62-W93 HydrophobicContact CB-CD2 4.42Å; F62-W93 HydrophobicContact CD2-CB 3.78Å; F62-W93 AromaticContact CD2-CD1 3.91Å; F62-W93 AromaticContact CD2-CD2 3.95Å; F62-W93 HydrophobicContact CD2-CD2 3.95Å; F62-W93 AromaticContact CD2-CG 3.57Å; F62-W93 HydrophobicContact CD2-CG 3.57Å; F62-W93 HydrophobicContact CE2-CB 3.95Å; F62-W93 HydrophobicContact CE2-CG 4.24Å; W65-W93 HydrophobicContact CB-CE3 4.05Å; W65-W93 HydrophobicContact CB-CZ3 3.62Å; W65-W93 AromaticContact CD2-CE3 3.5Å; W65-W93 HydrophobicContact CD2-CE3 3.5Å; W65-W93 AromaticContact CD2-CZ3 3.96Å; W65-W93 HydrophobicContact CD2-CZ3 3.96Å; W65-W93 HydrophobicContact CE3-CB 4.2Å; W65-W93 HydrophobicContact CE3-CD2 4.25Å; W65-W93 AromaticContact CE3-CE3 3.56Å; W65-W93 HydrophobicContact CE3-CE3 3.56Å; W65-W93 HydrophobicContact CE3-CZ3 4.33Å; W65-W93 AromaticContact CG-CE3 3.72Å; W65-W93 HydrophobicContact CG-CE3 3.72Å; W65-W93 AromaticContact CG-CZ3 3.63Å; W65-W93 HydrophobicContact CG-CZ3 3.63Å; W65-W93 HydrophobicContact CH2-CB 4.08Å; W65-W93 HydrophobicContact CZ3-CB 3.74Å; W65-W93 HydrophobicContact CZ3-CE3 4.24Å; L89-W93 VanDerWaalsContact O-CB 3.31Å; L89-W93 WeakPolarHBondContact O-CB 3.28Å; L89-W93 PolarHBondContact O-N 3.01Å; A91-W93 VanDerWaalsContact C-N 3.32Å; A91-W93 PolarHBondContact O-N 2.98Å; W93-L96 HydrophobicContact CE3-CD1 3.79Å; W93-L96 HydrophobicContact CZ3-CD1 4.2Å; W93-K101 HydrophobicContact CE3-CG 4.46Å; W93-K101 HydrophobicContact CH2-CB 3.94Å; W93-K101 HydrophobicContact CH2-CG 3.76Å; W93-K101 HydrophobicContact CZ2-CB 4.3Å; W93-K101 HydrophobicContact CZ2-CD 4.39Å; W93-K101 HydrophobicContact CZ2-CG 3.91Å; W93-K101 HydrophobicContact CZ3-CG 4.05Å; W93-K101 WeakPolarHBondContact O-CE 3.41Å; W93-F104 HydrophobicContact CH2-CB 4.22Å; W93-F104 HydrophobicContact CZ3-CB 4.4Å; W93-F104 HydrophobicContact CZ3-CD2 4.33Å |
| 94 | K | 98 | Very high | 98 | Very high | 171 Ų | 171 | 76.1 Ų | 76.1 | 74% | 0.743 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -73 | -36.7 | 175.6 | -70.6 | 175.4 | 178.6 | -175 | 0 | 111.5 | G90 A91 E92 | G90-K94 WeakPolarHBondContact O-CG 3.32Å; A91-K94 WeakPolarHBondContact O-CB 3.49Å; A91-K94 PolarHBondContact O-N 3.33Å; E92-K94 PolarHBondContact O-N 3Å |
| 95 | L | 97.9 | Very high | 98.1 | Very high | 147 Ų | 147 | 76.6 Ų | 76.6 | 77% | 0.77 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -75.4 | -27.7 | -178.5 | -64.5 | 173.2 | 0 | 0 | 0 | 113.5 | A91 E92 | A91-L95 PolarHBondContact O-N 3.23Å; E92-L95 PolarHBondContact O-N 3.18Å |
| 96 | L | 97.8 | Very high | 98.1 | Very high | 34 Ų | 34 | 79.6 Ų | 79.6 | 18% | 0.178 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -55.3 | 139.4 | 173.9 | -70.2 | 174.6 | 0 | 0 | 0 | 111.5 | W65 E92 W93 E100 K101 | W65-L96 HydrophobicContact CD2-CD1 4.43Å; W65-L96 HydrophobicContact CZ2-CD1 3.94Å; E92-L96 PolarHBondContact O-N 3.26Å; W93-L96 HydrophobicContact CE3-CD1 3.79Å; W93-L96 HydrophobicContact CZ3-CD1 4.2Å; L96-E100 HydrophobicContact CB-CB 4.33Å; L96-E100 HydrophobicContact CD2-CB 4.12Å; L96-K101 HydrophobicContact CB-CG 4.07Å; L96-K101 WeakPolarHBondContact O-CE 2.96Å; L96-K101 PolarHBondContact O-NZ 2.75Å |
| 97 | T | 98.4 | Very high | 98.1 | Very high | 75 Ų | 75 | 80.7 Ų | 80.7 | 46% | 0.46 | 41% | 0.41 | S | S | . | . | trans | -68 | 160.8 | 172.1 | 64 | 0 | 0 | 0 | 0 | 111.5 | A99 E100 K101 | T97-A99 PolarHBondContact O-N 3.07Å; T97-E100 WeakPolarHBondContact CB-OE2 3.34Å; T97-E100 WeakPolarHBondContact CG2-OE2 3.42Å; T97-E100 PolarHBondContact N-OE2 3.24Å; T97-E100 PolarHBondContact O-N 2.82Å; T97-E100 WeakPolarHBondContact OG1-CG 3.09Å; T97-E100 PolarHBondContact OG1-N 3.49Å; T97-E100 PolarHBondContact OG1-OE2 3.19Å; T97-K101 WeakPolarHBondContact O-CG 3.5Å; T97-K101 PolarHBondContact O-N 3.21Å | ||
| 98 | D | 97.5 | Very high | 98.2 | Very high | 121 Ų | 121 | 74.9 Ų | 74.9 | 65% | 0.647 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -66.5 | -24.5 | 176.1 | -70.9 | -18.6 | 0 | 0 | 0 | 112.8 | K101 R102 | D98-K101 WeakPolarHBondContact OD1-CD 3.31Å; D98-K101 IonicContact OD1-NZ 3.43Å; D98-R102 WeakPolarHBondContact O-CB 3.1Å; D98-R102 PolarHBondContact O-N 3.22Å |
| 99 | A | 98.1 | Very high | 98.2 | Very high | 76 Ų | 76 | 75.4 Ų | 75.4 | 63% | 0.628 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -64.3 | -46.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T97 R102 P103 | T97-A99 PolarHBondContact O-N 3.07Å; A99-R102 WeakPolarHBondContact O-CB 3.49Å; A99-R102 PolarHBondContact O-N 2.89Å; A99-P103 WeakPolarHBondContact O-CD 3.45Å |
| 100 | E | 97.8 | Very high | 98.2 | Very high | 94 Ų | 94 | 81.4 Ų | 81.4 | 44% | 0.439 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -68.9 | -34.1 | 177 | -67.4 | 163.3 | 109.9 | 0 | 0 | 112.6 | L96 T97 R102 P103 F104 | L96-E100 HydrophobicContact CB-CB 4.33Å; L96-E100 HydrophobicContact CD2-CB 4.12Å; T97-E100 WeakPolarHBondContact CB-OE2 3.34Å; T97-E100 WeakPolarHBondContact CG2-OE2 3.42Å; T97-E100 PolarHBondContact N-OE2 3.24Å; T97-E100 PolarHBondContact O-N 2.82Å; T97-E100 WeakPolarHBondContact OG1-CG 3.09Å; T97-E100 PolarHBondContact OG1-N 3.49Å; T97-E100 PolarHBondContact OG1-OE2 3.19Å; E100-R102 VanDerWaalsContact C-N 3.35Å; E100-P103 WeakPolarHBondContact O-CD 3.48Å; E100-P103 WeakPolarHBondContact O-CG 3.45Å; E100-F104 VanDerWaalsContact O-CD2 3.28Å; E100-F104 WeakPolarHBondContact O-CD2 3.49Å; E100-F104 WeakPolarHBondContact O-CE2 3.33Å |
| 101 | K | 98.3 | Very high | 98.2 | Very high | 30 Ų | 30 | 82.4 Ų | 82.4 | 13% | 0.13 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -69.9 | -30.5 | 174.6 | -69.1 | 162.5 | 175.1 | 147.1 | 0 | 112.5 | W93 L96 T97 D98 F104 I105 | W93-K101 HydrophobicContact CE3-CG 4.46Å; W93-K101 HydrophobicContact CH2-CB 3.94Å; W93-K101 HydrophobicContact CH2-CG 3.76Å; W93-K101 HydrophobicContact CZ2-CB 4.3Å; W93-K101 HydrophobicContact CZ2-CD 4.39Å; W93-K101 HydrophobicContact CZ2-CG 3.91Å; W93-K101 HydrophobicContact CZ3-CG 4.05Å; W93-K101 WeakPolarHBondContact O-CE 3.41Å; L96-K101 HydrophobicContact CB-CG 4.07Å; L96-K101 WeakPolarHBondContact O-CE 2.96Å; L96-K101 PolarHBondContact O-NZ 2.75Å; T97-K101 WeakPolarHBondContact O-CG 3.5Å; T97-K101 PolarHBondContact O-N 3.21Å; D98-K101 WeakPolarHBondContact OD1-CD 3.31Å; D98-K101 IonicContact OD1-NZ 3.43Å; K101-F104 PolarHBondContact O-N 2.91Å; K101-F104 VanDerWaalsContact O-N 3.09Å; K101-I105 HydrophobicContact CB-CD1 3.86Å; K101-I105 HydrophobicContact CB-CG1 4.49Å; K101-I105 WeakPolarHBondContact O-CG1 2.97Å; K101-I105 PolarHBondContact O-N 3.13Å |
| 102 | R | 98.4 | Very high | 98.2 | Very high | 165 Ų | 165 | 88.4 Ų | 88.4 | 62% | 0.623 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -50.5 | -52 | -172.8 | -159.1 | 167.3 | -175.9 | 108.9 | -5.5 | 115 | D98 A99 E100 F104 I105 D106 | D98-R102 WeakPolarHBondContact O-CB 3.1Å; D98-R102 PolarHBondContact O-N 3.22Å; A99-R102 WeakPolarHBondContact O-CB 3.49Å; A99-R102 PolarHBondContact O-N 2.89Å; E100-R102 VanDerWaalsContact C-N 3.35Å; R102-F104 VanDerWaalsContact C-N 3.27Å; R102-F104 PolarHBondContact O-N 2.86Å; R102-I105 WeakPolarHBondContact O-CB 3.27Å; R102-I105 PolarHBondContact O-N 3.08Å; R102-I105 VanDerWaalsContact O-N 3.11Å; R102-D106 PolarHBondContact O-N 3.41Å |
| 103 | P | 98.4 | Very high | 98.2 | Very high | 77 Ų | 77 | 87.5 Ų | 87.5 | 50% | 0.5 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -58.3 | -36.9 | 178.1 | 21.6 | -34.2 | 0 | 0 | 0 | 113.2 | A99 E100 E107 | A99-P103 WeakPolarHBondContact O-CD 3.45Å; E100-P103 WeakPolarHBondContact O-CD 3.48Å; E100-P103 WeakPolarHBondContact O-CG 3.45Å; P103-E107 VanDerWaalsContact O-CB 3.32Å; P103-E107 WeakPolarHBondContact O-CB 3.26Å; P103-E107 PolarHBondContact O-N 2.67Å |
| 104 | F | 98.4 | Very high | 98.2 | Very high | 64 Ų | 64 | 87.9 Ų | 87.9 | 28% | 0.281 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -76 | -29.8 | 178.3 | -52.8 | -73.1 | 0 | 0 | 0 | 112.8 | A61 V64 W65 W93 E100 K101 R102 A108 | A61-F104 WeakPolarHBondContact CA-O 3.46Å; V64-F104 HydrophobicContact CG1-CD1 4.15Å; W65-F104 HydrophobicContact CB-CB 4.18Å; W65-F104 HydrophobicContact CB-CD1 3.77Å; W65-F104 HydrophobicContact CB-CD2 4.15Å; W65-F104 HydrophobicContact CB-CE1 4.21Å; W65-F104 HydrophobicContact CB-CG 3.74Å; W65-F104 AromaticContact CD1-CD2 3.89Å; W65-F104 AromaticContact CD1-CE2 3.59Å; W65-F104 AromaticContact CD1-CZ 3.7Å; W65-F104 HydrophobicContact CG-CD2 4.36Å; W65-F104 HydrophobicContact CG-CE2 4.43Å; W65-F104 HydrophobicContact CG-CG 4.41Å; W93-F104 HydrophobicContact CH2-CB 4.22Å; W93-F104 HydrophobicContact CZ3-CB 4.4Å; W93-F104 HydrophobicContact CZ3-CD2 4.33Å; E100-F104 VanDerWaalsContact O-CD2 3.28Å; E100-F104 WeakPolarHBondContact O-CD2 3.49Å; E100-F104 WeakPolarHBondContact O-CE2 3.33Å; K101-F104 PolarHBondContact O-N 2.91Å; K101-F104 VanDerWaalsContact O-N 3.09Å; R102-F104 VanDerWaalsContact C-N 3.27Å; R102-F104 PolarHBondContact O-N 2.86Å; F104-A108 VanDerWaalsContact O-CB 3.28Å; F104-A108 WeakPolarHBondContact O-CB 3.46Å; F104-A108 PolarHBondContact O-N 3.05Å |
| 105 | I | 98.3 | Very high | 98.2 | Very high | 63 Ų | 63 | 80.8 Ų | 80.8 | 32% | 0.323 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.5 | -46.5 | 171.4 | -70.7 | 166.8 | 0 | 0 | 0 | 110.1 | A61 K101 R102 A108 K109 | A61-I105 HydrophobicContact CB-CB 4.47Å; A61-I105 HydrophobicContact CB-CG1 3.84Å; K101-I105 HydrophobicContact CB-CD1 3.86Å; K101-I105 HydrophobicContact CB-CG1 4.49Å; K101-I105 WeakPolarHBondContact O-CG1 2.97Å; K101-I105 PolarHBondContact O-N 3.13Å; R102-I105 WeakPolarHBondContact O-CB 3.27Å; R102-I105 PolarHBondContact O-N 3.08Å; R102-I105 VanDerWaalsContact O-N 3.11Å; I105-A108 PolarHBondContact O-N 3.24Å; I105-K109 WeakPolarHBondContact O-CG 3.43Å; I105-K109 PolarHBondContact O-N 3.11Å |
| 106 | D | 98.6 | Very high | 98.2 | Very high | 66 Ų | 66 | 80.1 Ų | 80.1 | 35% | 0.353 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -71.7 | -37.3 | -178.2 | -66.8 | -28 | 0 | 0 | 0 | 111.9 | R102 A108 K109 R110 | R102-D106 PolarHBondContact O-N 3.41Å; D106-A108 PolarHBondContact O-N 3.48Å; D106-K109 WeakPolarHBondContact O-CB 3.4Å; D106-K109 PolarHBondContact O-N 3.26Å; D106-K109 WeakPolarHBondContact OD1-CE 3.28Å; D106-K109 IonicContact OD1-NZ 3.56Å; D106-K109 PolarHBondContact OD1-NZ 3.43Å; D106-R110 PolarHBondContact O-N 2.71Å |
| 107 | E | 98.5 | Very high | 98.2 | Very high | 63 Ų | 63 | 86.6 Ų | 86.6 | 29% | 0.294 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 169.8 | 176.5 | 56.6 | -166.6 | 0 | 0 | 112.2 | V64 P103 K109 R110 L111 | V64-E107 HydrophobicContact CG1-CB 4.39Å; V64-E107 HydrophobicContact CG1-CG 3.79Å; V64-E107 HydrophobicContact CG2-CG 4.49Å; P103-E107 VanDerWaalsContact O-CB 3.32Å; P103-E107 WeakPolarHBondContact O-CB 3.26Å; P103-E107 PolarHBondContact O-N 2.67Å; E107-K109 PolarHBondContact O-N 2.72Å; E107-R110 WeakPolarHBondContact O-CB 3.47Å; E107-R110 PolarHBondContact O-N 3.47Å; E107-R110 IonicContact OE1-CZ 2.79Å; E107-R110 IonicContact OE1-NE 3.5Å; E107-R110 IonicContact OE1-NH2 2.67Å; E107-R110 PolarHBondContact OE1-NH2 2.97Å; E107-R110 IonicContact OE2-CZ 2.62Å; E107-R110 IonicContact OE2-NE 2.71Å; E107-R110 PolarHBondContact OE2-NE 3.23Å; E107-R110 IonicContact OE2-NH2 3.55Å; E107-R110 PolarHBondContact OE2-NH2 3.25Å; E107-L111 HydrophobicContact CG-CD1 4.23Å; E107-L111 WeakPolarHBondContact O-CB 3.46Å; E107-L111 WeakPolarHBondContact O-CG 3.49Å; E107-L111 PolarHBondContact O-N 3.31Å |
| 108 | A | 98.4 | Very high | 98.2 | Very high | 14 Ų | 14 | 87.2 Ų | 87.2 | 12% | 0.116 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -66.9 | -34.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | A61 V64 F104 I105 D106 R112 | A61-A108 HydrophobicContact CB-CB 4.11Å; A61-A108 VanDerWaalsContact N-CB 3.3Å; V64-A108 HydrophobicContact CG2-CB 4.37Å; F104-A108 VanDerWaalsContact O-CB 3.28Å; F104-A108 WeakPolarHBondContact O-CB 3.46Å; F104-A108 PolarHBondContact O-N 3.05Å; I105-A108 PolarHBondContact O-N 3.24Å; D106-A108 PolarHBondContact O-N 3.48Å; A108-R112 WeakPolarHBondContact O-CB 3.44Å; A108-R112 PolarHBondContact O-N 3.4Å |
| 109 | K | 98.7 | Very high | 98.1 | Very high | 123 Ų | 123 | 86.6 Ų | 86.6 | 54% | 0.535 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.4 | -46.3 | 169.8 | -68.3 | 169.7 | -168.3 | 160.3 | 0 | 110.5 | I105 D106 E107 R112 A113 | I105-K109 WeakPolarHBondContact O-CG 3.43Å; I105-K109 PolarHBondContact O-N 3.11Å; D106-K109 WeakPolarHBondContact O-CB 3.4Å; D106-K109 PolarHBondContact O-N 3.26Å; D106-K109 WeakPolarHBondContact OD1-CE 3.28Å; D106-K109 IonicContact OD1-NZ 3.56Å; D106-K109 PolarHBondContact OD1-NZ 3.43Å; E107-K109 PolarHBondContact O-N 2.72Å; K109-R112 WeakPolarHBondContact O-CB 3.45Å; K109-R112 PolarHBondContact O-N 2.86Å; K109-A113 PolarHBondContact O-N 2.91Å |
| 110 | R | 98.6 | Very high | 98 | Very high | 125 Ų | 125 | 87.7 Ų | 87.7 | 47% | 0.472 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -58.5 | -49.3 | 177.7 | -167.5 | -165.4 | 68.6 | 80 | 2.3 | 111.3 | D106 E107 R112 A113 V114 | D106-R110 PolarHBondContact O-N 2.71Å; E107-R110 WeakPolarHBondContact O-CB 3.47Å; E107-R110 PolarHBondContact O-N 3.47Å; E107-R110 IonicContact OE1-CZ 2.79Å; E107-R110 IonicContact OE1-NE 3.5Å; E107-R110 IonicContact OE1-NH2 2.67Å; E107-R110 PolarHBondContact OE1-NH2 2.97Å; E107-R110 IonicContact OE2-CZ 2.62Å; E107-R110 IonicContact OE2-NE 2.71Å; E107-R110 PolarHBondContact OE2-NE 3.23Å; E107-R110 IonicContact OE2-NH2 3.55Å; E107-R110 PolarHBondContact OE2-NH2 3.25Å; R110-R112 VanDerWaalsContact C-N 3.3Å; R110-R112 PolarHBondContact O-N 2.89Å; R110-A113 PolarHBondContact O-N 2.94Å; R110-V114 WeakPolarHBondContact O-CG2 3.18Å; R110-V114 PolarHBondContact O-N 3.41Å |
| 111 | L | 98.4 | Very high | 97.9 | Very high | 47 Ų | 47 | 90.8 Ų | 90.8 | 25% | 0.246 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -60.8 | -37.1 | 176.3 | -70.7 | 172.3 | 0 | 0 | 0 | 112.5 | M59 V64 E107 H115 | M59-L111 HydrophobicContact CB-CD1 4Å; V64-L111 HydrophobicContact CG2-CD1 3.75Å; E107-L111 HydrophobicContact CG-CD1 4.23Å; E107-L111 WeakPolarHBondContact O-CB 3.46Å; E107-L111 WeakPolarHBondContact O-CG 3.49Å; E107-L111 PolarHBondContact O-N 3.31Å; L111-H115 WeakPolarHBondContact O-CB 3.37Å; L111-H115 PolarHBondContact O-N 2.9Å |
| 112 | R | 98 | Very high | 97.8 | Very high | 178 Ų | 178 | 92.7 Ų | 92.7 | 67% | 0.672 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -67.3 | -41.3 | 173.9 | -176.7 | -179.9 | 177.8 | -178.3 | -2.2 | 112.2 | A108 K109 R110 H115 M116 | A108-R112 WeakPolarHBondContact O-CB 3.44Å; A108-R112 PolarHBondContact O-N 3.4Å; K109-R112 WeakPolarHBondContact O-CB 3.45Å; K109-R112 PolarHBondContact O-N 2.86Å; R110-R112 VanDerWaalsContact C-N 3.3Å; R110-R112 PolarHBondContact O-N 2.89Å; R112-H115 PolarHBondContact O-N 3.17Å; R112-M116 WeakPolarHBondContact O-CB 3.48Å; R112-M116 PolarHBondContact O-N 2.89Å |
| 113 | A | 98.2 | Very high | 97.6 | Very high | 59 Ų | 59 | 92.5 Ų | 92.5 | 49% | 0.488 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.1 | -46.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K109 R110 H115 M116 K117 | K109-A113 PolarHBondContact O-N 2.91Å; R110-A113 PolarHBondContact O-N 2.94Å; A113-H115 PolarHBondContact O-N 3.27Å; A113-M116 PolarHBondContact O-N 3.44Å; A113-K117 PolarHBondContact O-N 2.91Å |
| 114 | V | 98.1 | Very high | 97.5 | Very high | 54 Ų | 54 | 95.1 Ų | 95.1 | 33% | 0.327 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -56.1 | -50.1 | 172.5 | 170.4 | 0 | 0 | 0 | 0 | 110.3 | R110 M116 K117 D118 | R110-V114 WeakPolarHBondContact O-CG2 3.18Å; R110-V114 PolarHBondContact O-N 3.41Å; V114-M116 VanDerWaalsContact C-N 3.3Å; V114-M116 PolarHBondContact O-N 3.4Å; V114-K117 WeakPolarHBondContact O-CB 3.46Å; V114-K117 PolarHBondContact O-N 3.38Å; V114-K117 VanDerWaalsContact O-N 3.12Å; V114-D118 WeakPolarHBondContact CG1-OD2 3.39Å; V114-D118 WeakPolarHBondContact O-CB 3.48Å; V114-D118 PolarHBondContact O-N 3.19Å |
| 115 | H | 98.3 | Very high | 97.3 | Very high | 22 Ų | 22 | 99.7 Ų | 99.7 | 10% | 0.102 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -60.2 | -36.2 | 178.7 | -171.1 | 82.8 | 0 | 0 | 0 | 114 | V55 K56 P58 L111 R112 A113 Y119 Y122 | V55-H115 WeakPolarHBondContact CG1-CE1 3.19Å; K56-H115 PolarHBondContact O-CE1 3.02Å; P58-H115 HydrophobicContact CB-CB 3.9Å; P58-H115 HydrophobicContact CG-CB 4.18Å; L111-H115 WeakPolarHBondContact O-CB 3.37Å; L111-H115 PolarHBondContact O-N 2.9Å; R112-H115 PolarHBondContact O-N 3.17Å; A113-H115 PolarHBondContact O-N 3.27Å; H115-Y119 AromaticContact CE1-CD2 3.52Å; H115-Y119 AromaticContact CE1-CE2 3.94Å; H115-Y119 AromaticContact ND1-CD2 3.48Å; H115-Y119 WeakPolarHBondContact ND1-CD2 3.17Å; H115-Y119 AromaticContact ND1-CE2 3.77Å; H115-Y119 WeakPolarHBondContact O-CB 3.35Å; H115-Y119 WeakPolarHBondContact O-CD2 3.5Å; H115-Y119 PolarHBondContact O-N 2.98Å; H115-Y122 AromaticContact CD2-CD1 3.96Å; H115-Y122 AromaticContact NE2-CD1 3.49Å; H115-Y122 WeakPolarHBondContact NE2-CD1 3.4Å; H115-Y122 AromaticContact NE2-CD2 3.62Å; H115-Y122 AromaticContact NE2-CE1 3.7Å; H115-Y122 AromaticContact NE2-CE2 3.82Å; H115-Y122 AromaticContact NE2-CG 3.44Å; H115-Y122 AromaticContact NE2-CZ 3.84Å |
| 116 | M | 97.6 | Very high | 97 | Very high | 133 Ų | 133 | 100.9 Ų | 100.9 | 66% | 0.655 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -74.3 | -29.1 | 178.1 | -168.6 | 176.9 | 81.3 | 0 | 0 | 112.5 | R112 A113 V114 P120 | R112-M116 WeakPolarHBondContact O-CB 3.48Å; R112-M116 PolarHBondContact O-N 2.89Å; A113-M116 PolarHBondContact O-N 3.44Å; V114-M116 VanDerWaalsContact C-N 3.3Å; V114-M116 PolarHBondContact O-N 3.4Å; M116-P120 WeakPolarHBondContact O-CA 3.43Å |
| 117 | K | 97.9 | Very high | 96.6 | Very high | 170 Ų | 170 | 106.3 Ų | 106.3 | 74% | 0.739 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -72.1 | -48.5 | 171.1 | 171.6 | -168.4 | 159.3 | -173.4 | 0 | 111.2 | A113 V114 Y119 | A113-K117 PolarHBondContact O-N 2.91Å; V114-K117 WeakPolarHBondContact O-CB 3.46Å; V114-K117 PolarHBondContact O-N 3.38Å; V114-K117 VanDerWaalsContact O-N 3.12Å; K117-Y119 VanDerWaalsContact C-N 3.32Å |
| 118 | D | 97.1 | Very high | 96.3 | Very high | 87 Ų | 87 | 114.6 Ų | 114.6 | 47% | 0.465 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -74.8 | -25.6 | -173.9 | -58.9 | -15 | 0 | 0 | 0 | 111.9 | V114 | V114-D118 WeakPolarHBondContact CG1-OD2 3.39Å; V114-D118 WeakPolarHBondContact O-CB 3.48Å; V114-D118 PolarHBondContact O-N 3.19Å |
| 119 | Y | 96.6 | Very high | 95.7 | Very high | 108 Ų | 108 | 122.5 Ų | 122.5 | 42% | 0.424 | 56% | 0.559 | S | S | . | * | trans | -132.9 | 74 | 178.8 | -50.9 | -75.5 | 0 | 0 | 0 | 111 | V55 H115 K117 D121 Y122 | V55-Y119 HydrophobicContact CB-CD1 4.49Å; V55-Y119 HydrophobicContact CG1-CD1 3.92Å; V55-Y119 HydrophobicContact CG1-CD2 3.77Å; V55-Y119 HydrophobicContact CG1-CE1 4.14Å; V55-Y119 HydrophobicContact CG1-CE2 3.99Å; V55-Y119 HydrophobicContact CG1-CG 3.72Å; V55-Y119 HydrophobicContact CG2-CD1 3.68Å; V55-Y119 HydrophobicContact CG2-CE1 3.72Å; V55-Y119 HydrophobicContact CG2-CG 4.32Å; H115-Y119 AromaticContact CE1-CD2 3.52Å; H115-Y119 AromaticContact CE1-CE2 3.94Å; H115-Y119 AromaticContact ND1-CD2 3.48Å; H115-Y119 WeakPolarHBondContact ND1-CD2 3.17Å; H115-Y119 AromaticContact ND1-CE2 3.77Å; H115-Y119 WeakPolarHBondContact O-CB 3.35Å; H115-Y119 WeakPolarHBondContact O-CD2 3.5Å; H115-Y119 PolarHBondContact O-N 2.98Å; K117-Y119 VanDerWaalsContact C-N 3.32Å; Y119-D121 VanDerWaalsContact C-N 3.31Å; Y119-D121 PolarHBondContact O-N 3.46Å; Y119-Y122 WeakPolarHBondContact O-CB 3.47Å; Y119-Y122 PolarHBondContact O-N 3.02Å | ||
| 120 | P | 95.9 | Very high | 95 | Very high | 100 Ų | 100 | 123.1 Ų | 123.1 | 65% | 0.649 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -36.5 | -176.1 | 24 | -33.8 | 0 | 0 | 0 | 113 | M116 Y122 | M116-P120 WeakPolarHBondContact O-CA 3.43Å; P120-Y122 PolarHBondContact O-N 2.97Å |
| 121 | D | 94.6 | Very high | 94.1 | Very high | 158 Ų | 158 | 126.5 Ų | 126.5 | 85% | 0.845 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | 8.2 | 177.2 | -61.3 | -58.9 | 0 | 0 | 0 | 114 | Y119 K123 | Y119-D121 VanDerWaalsContact C-N 3.31Å; Y119-D121 PolarHBondContact O-N 3.46Å; D121-K123 PolarHBondContact O-N 3.15Å |
| 122 | Y | 96.6 | Very high | 92.8 | Very high | 70 Ų | 70 | 129.6 Ų | 129.6 | 28% | 0.275 | 61% | 0.614 | S | S | . | * | trans | -65.4 | 108.8 | -176.6 | -177.2 | -99.8 | 0 | 0 | 0 | 112.6 | V55 R57 H115 Y119 P120 | V55-Y122 HydrophobicContact CB-CD2 3.96Å; V55-Y122 HydrophobicContact CB-CE2 4.03Å; V55-Y122 HydrophobicContact CG1-CD2 3.48Å; V55-Y122 VanDerWaalsContact CG1-CD2 3.48Å; V55-Y122 HydrophobicContact CG1-CE2 3.68Å; V55-Y122 HydrophobicContact CG1-CG 4.46Å; V55-Y122 WeakPolarHBondContact O-CE2 3.49Å; R57-Y122 WeakPolarHBondContact CG-OH 3.38Å; H115-Y122 AromaticContact CD2-CD1 3.96Å; H115-Y122 AromaticContact NE2-CD1 3.49Å; H115-Y122 WeakPolarHBondContact NE2-CD1 3.4Å; H115-Y122 AromaticContact NE2-CD2 3.62Å; H115-Y122 AromaticContact NE2-CE1 3.7Å; H115-Y122 AromaticContact NE2-CE2 3.82Å; H115-Y122 AromaticContact NE2-CG 3.44Å; H115-Y122 AromaticContact NE2-CZ 3.84Å; Y119-Y122 WeakPolarHBondContact O-CB 3.47Å; Y119-Y122 PolarHBondContact O-N 3.02Å; P120-Y122 PolarHBondContact O-N 2.97Å | ||
| 123 | K | 95.3 | Very high | 91.4 | Very high | 162 Ų | 162 | 129.3 Ų | 129.3 | 70% | 0.704 | 63% | 0.625 | S | S | * | * | trans | -116.5 | 119.8 | 175.1 | -166.3 | 163.8 | -173.9 | 167.9 | 0 | 111.8 | D121 K125 | D121-K123 PolarHBondContact O-N 3.15Å; K123-K125 PolarHBondContact O-N 3.26Å; K123-K125 VanDerWaalsContact O-N 3.12Å | ||
| 124 | Y | 95.8 | Very high | 90 | Very high | 132 Ų | 132 | 134.2 Ų | 134.2 | 52% | 0.518 | 64% | 0.642 | S | S | . | * | trans | -67.1 | 110.6 | 174.2 | 179.9 | -125.7 | 0 | 0 | 0 | 110.9 | R57 P126 | R57-Y124 HydrophobicContact CG-CD2 4.4Å; Y124-P126 HydrophobicContact CD1-CG 4.12Å; Y124-P126 HydrophobicContact CE1-CG 3.64Å | ||
| 125 | K | 93.1 | Very high | 87.9 | Confident | 160 Ų | 160 | 139.4 Ų | 139.4 | 70% | 0.696 | 66% | 0.66 | S | S | * | * | trans | -112.8 | 97.4 | 176.3 | -64.8 | 176.1 | -175.4 | 175.7 | 0 | 109.5 | K123 R127 | K123-K125 PolarHBondContact O-N 3.26Å; K123-K125 VanDerWaalsContact O-N 3.12Å; K125-R127 PolarHBondContact O-N 2.93Å | ||
| 126 | P | 92.8 | Very high | 85.9 | Confident | 87 Ų | 87 | 147.1 Ų | 147.1 | 57% | 0.565 | 69% | 0.694 | S | S | * | * | trans | -62.5 | 129.9 | 175.1 | -18 | 28.6 | 0 | 0 | 0 | 111.3 | Y124 R128 | Y124-P126 HydrophobicContact CD1-CG 4.12Å; Y124-P126 HydrophobicContact CE1-CG 3.64Å; P126-R128 PolarHBondContact O-N 2.92Å | ||
| 127 | R | 91.1 | Very high | 83.8 | Confident | 181 Ų | 181 | 145.9 Ų | 145.9 | 68% | 0.683 | 69% | 0.69 | S | S | * | * | trans | -84.6 | 106.2 | 174.3 | -168.6 | 175.6 | -168.5 | -89.4 | 8.7 | 109.9 | K125 K129 | K125-R127 PolarHBondContact O-N 2.93Å; R127-K129 PolarHBondContact O-N 3.23Å | ||
| 128 | R | 90.3 | Very high | 81.8 | Confident | 237 Ų | 237 | 144.6 Ų | 144.6 | 89% | 0.894 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 131.1 | 166.5 | -62 | -179.6 | 78.5 | 176 | 3.5 | 108.2 | P126 | P126-R128 PolarHBondContact O-N 2.92Š|
| 129 | K | 86.8 | Confident | 79.7 | Confident | 179 Ų | 179 | 149.2 Ų | 149.2 | 78% | 0.778 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 127.1 | 165.8 | -66.5 | -175.3 | 179.4 | -176.9 | 0 | 107.3 | R127 K131 | R127-K129 PolarHBondContact O-N 3.23Å; K129-K131 PolarHBondContact O-N 3.48Å |
| 130 | T | 83.4 | Confident | 77.4 | Confident | 137 Ų | 137 | 152.5 Ų | 152.5 | 84% | 0.84 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 127 | 163.4 | 38.1 | 0 | 0 | 0 | 0 | 107.8 | P132 | T130-P132 WeakPolarHBondContact O-CD 3.48Š|
| 131 | K | 79.6 | Confident | 75.4 | Confident | 195 Ų | 195 | 151.9 Ų | 151.9 | 85% | 0.848 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 125.4 | 167.1 | -68.2 | -175.3 | 178.7 | -178.1 | 0 | 106.3 | K129 L133 | K129-K131 PolarHBondContact O-N 3.48Å; K131-L133 PolarHBondContact O-N 3Å; K131-L133 VanDerWaalsContact O-N 3.14Å |
| 132 | P | 72.8 | Confident | 73.2 | Confident | 113 Ų | 113 | 153.3 Ų | 153.3 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 121 | 168.4 | -19.6 | 32.2 | 0 | 0 | 0 | 107.8 | T130 L134 | T130-P132 WeakPolarHBondContact O-CD 3.48Å; P132-L134 VanDerWaalsContact C-N 3.35Å; P132-L134 PolarHBondContact O-N 2.97Å |
| 133 | L | 67.8 | Low | 70.6 | Confident | 172 Ų | 172 | 160 Ų | 160 | 90% | 0.901 | 76% | 0.759 | S | S | * | * | trans | -64.6 | 104.2 | 161.2 | -80.6 | 160.1 | 0 | 0 | 0 | 105.5 | K131 K135 | K131-L133 PolarHBondContact O-N 3Å; K131-L133 VanDerWaalsContact O-N 3.14Å; L133-K135 PolarHBondContact O-N 3.12Å | ||
| 134 | L | 67.9 | Low | 68.2 | Low | 161 Ų | 161 | 158.7 Ų | 158.7 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | trans | -58 | 113.9 | 171.9 | -70 | 173.8 | 0 | 0 | 0 | 106.9 | P132 K136 | P132-L134 VanDerWaalsContact C-N 3.35Å; P132-L134 PolarHBondContact O-N 2.97Å; L134-K136 PolarHBondContact O-N 2.86Å | ||
| 135 | K | 55.3 | Low | 66 | Low | 164 Ų | 164 | 160.2 Ų | 160.2 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | trans | -60.7 | 111.2 | 178.4 | -165.7 | -179.6 | 175.7 | -140.4 | 0 | 107 | L133 D137 | L133-K135 PolarHBondContact O-N 3.12Å; K135-D137 WeakPolarHBondContact CD-OD2 3.47Å; K135-D137 WeakPolarHBondContact CE-OD1 3.21Å; K135-D137 WeakPolarHBondContact CE-OD2 3.13Å; K135-D137 IonicContact NZ-OD1 3.68Å; K135-D137 IonicContact NZ-OD2 2.74Å; K135-D137 PolarHBondContact NZ-OD2 2.98Å; K135-D137 PolarHBondContact O-N 3.27Å | ||
| 136 | K | 55.3 | Low | 63.6 | Low | 184 Ų | 184 | 158 Ų | 158 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | trans | -78.8 | 59.3 | -176 | -169 | 173.5 | 174.9 | 176.7 | 0 | 110.1 | L134 N138 | L134-K136 PolarHBondContact O-N 2.86Å; K136-N138 PolarHBondContact O-N 3.04Å | ||
| 137 | D | 54.7 | Low | 61.4 | Low | 107 Ų | 107 | 159.2 Ų | 159.2 | 57% | 0.572 | 81% | 0.806 | S | S | * | * | trans | -77.1 | 115.6 | 170.8 | -69.3 | -18.4 | 0 | 0 | 0 | 108.1 | K135 | K135-D137 WeakPolarHBondContact CD-OD2 3.47Å; K135-D137 WeakPolarHBondContact CE-OD1 3.21Å; K135-D137 WeakPolarHBondContact CE-OD2 3.13Å; K135-D137 IonicContact NZ-OD1 3.68Å; K135-D137 IonicContact NZ-OD2 2.74Å; K135-D137 PolarHBondContact NZ-OD2 2.98Å; K135-D137 PolarHBondContact O-N 3.27Å | ||
| 138 | N | 55 | Low | 59 | Low | 143 Ų | 143 | 152.9 Ų | 152.9 | 77% | 0.765 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 68.5 | 58.8 | 157.1 | -150.1 | 13.6 | 0 | 0 | 0 | 120.2 | K136 | K136-N138 PolarHBondContact O-N 3.04Š|
| 139 | Q | 52.9 | Low | 56.8 | Low | 183 Ų | 183 | 148.8 Ų | 148.8 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | trans | -128.1 | 38.6 | 159.9 | -75.4 | -121.3 | 78.7 | 0 | 0 | 112.4 | ||||
| 140 | M | 49 | Very low | 54.7 | Low | 177 Ų | 177 | 149 Ų | 149 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | trans | -109.3 | 8.5 | -178.4 | -149.2 | 157.8 | 81.7 | 0 | 0 | 114.2 | K142 | M140-K142 PolarHBondContact O-N 3Š| ||
| 141 | A | 54 | Low | 52.8 | Low | 88 Ų | 88 | 150.7 Ų | 150.7 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | 32.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 142 | K | 48.4 | Very low | 51.1 | Low | 187 Ų | 187 | 146 Ų | 146 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.2 | 4.5 | 177.5 | -79.2 | -161.6 | 174.4 | -174.8 | 0 | 117.2 | M140 | M140-K142 PolarHBondContact O-N 3Š|
| 143 | Y | 41.4 | Very low | 49.4 | Very low | 210 Ų | 210 | 145.2 Ų | 145.2 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -141.8 | 100.3 | 171.8 | -65.2 | -75.1 | 0 | 0 | 0 | 111.2 | L145 | Y143-L145 PolarHBondContact O-N 2.98Š| ||
| 144 | P | 45.8 | Very low | 48.4 | Very low | 135 Ų | 135 | 142.4 Ų | 142.4 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | trans | -82.2 | 98.6 | 170.3 | 32.2 | -30 | 0 | 0 | 0 | 109.4 | ||||
| 145 | L | 48.5 | Very low | 47 | Very low | 165 Ų | 165 | 139 Ų | 139 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -103.7 | 114.9 | 165.5 | -96.2 | 157.1 | 0 | 0 | 0 | 108.9 | Y143 A147 | Y143-L145 PolarHBondContact O-N 2.98Å; L145-A147 PolarHBondContact O-N 3.33Å | ||
| 146 | S | 43.7 | Very low | 46.2 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | -49.8 | 121.8 | -174.8 | -177.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 147 | A | 45.5 | Very low | 45.1 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 93% | 0.934 | 81% | 0.812 | S | S | * | * | trans | -104 | 76.8 | 160.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | L145 | L145-A147 PolarHBondContact O-N 3.33Š| ||
| 148 | G | 40.9 | Very low | 44.1 | Very low | 48 Ų | 48 | 135.3 Ų | 135.3 | 50% | 0.495 | 82% | 0.824 | S | S | . | * | trans | -135.5 | 133.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 149 | N | 43.6 | Very low | 43 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 81% | 0.807 | 83% | 0.834 | S | S | * | * | trans | 75.3 | 84.2 | 174.4 | -59.4 | 8.4 | 0 | 0 | 0 | 117.7 | ||||
| 150 | L | 42.9 | Very low | 42 | Very low | 184 Ų | 184 | 133.5 Ų | 133.5 | 96% | 0.963 | 83% | 0.833 | S | S | * | * | trans | -130.4 | 53.8 | 150.4 | -74.6 | 179.3 | 0 | 0 | 0 | 111.1 | ||||
| 151 | L | 44.2 | Very low | 41.1 | Very low | 171 Ų | 171 | 128.7 Ų | 128.7 | 90% | 0.895 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -143.1 | 19.3 | 173 | -165 | 49.6 | 0 | 0 | 0 | 114.3 | ||
| 152 | A | 43.5 | Very low | 40.3 | Very low | 96 Ų | 96 | 130.3 Ų | 130.3 | 79% | 0.793 | 84% | 0.835 | S | S | * | * | trans | -145.4 | 76.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 153 | A | 37.4 | Very low | 39.8 | Very low | 98 Ų | 98 | 126.2 Ų | 126.2 | 81% | 0.81 | 84% | 0.836 | S | S | * | * | trans | -165.6 | 52 | 163.6 | 0 | 0 | 0 | 0 | 0 | 112 | A155 | A153-A155 VanDerWaalsContact C-N 3.31Å; A153-A155 PolarHBondContact O-N 3.05Å | ||
| 154 | A | 46.5 | Very low | 39.7 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 93% | 0.934 | 84% | 0.842 | S | S | * | * | trans | -88.6 | 65.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 155 | A | 39 | Very low | 39.5 | Very low | 88 Ų | 88 | 130.5 Ų | 130.5 | 73% | 0.727 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -174.9 | 153.3 | 165 | 0 | 0 | 0 | 0 | 0 | 111.5 | A153 | A153-A155 VanDerWaalsContact C-N 3.31Å; A153-A155 PolarHBondContact O-N 3.05Å |
| 156 | A | 37.4 | Very low | 38.9 | Very low | 96 Ų | 96 | 129 Ų | 129 | 79% | 0.793 | 83% | 0.832 | S | S | * | * | trans | 73.1 | 115.7 | 165 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 157 | Q | 33.8 | Very low | 38.6 | Very low | 203 Ų | 203 | 129 Ų | 129 | 95% | 0.949 | 83% | 0.832 | S | S | * | * | trans | -17.4 | 144 | 152 | -60.8 | 157 | -55.7 | 0 | 0 | 118 | ||||
| 158 | G | 32.2 | Very low | 38.1 | Very low | 80 Ų | 80 | 133 Ų | 133 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | trans | 165.3 | 136 | 158.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 159 | Q | 32 | Very low | 37.8 | Very low | 205 Ų | 205 | 134.2 Ų | 134.2 | 96% | 0.958 | 84% | 0.837 | S | S | * | * | trans | -70.4 | 153.6 | 174.8 | -58.6 | 166.1 | 8.6 | 0 | 0 | 112.3 | ||||
| 160 | G | 31.8 | Very low | 37.5 | Very low | 82 Ų | 82 | 139.7 Ų | 139.7 | 85% | 0.845 | 85% | 0.846 | S | S | * | * | trans | 141.6 | 120.7 | 148.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 161 | G | 30.8 | Very low | 37.4 | Very low | 77 Ų | 77 | 133.6 Ų | 133.6 | 79% | 0.794 | 83% | 0.828 | S | S | * | * | 82.3 | 77.6 | 126.4 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 162 | S | 38.1 | Very low | 37.6 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 85% | 0.853 | 83% | 0.829 | S | S | * | * | trans | 40.9 | 122.4 | 132.3 | -157.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 163 | A | 36.9 | Very low | 37.3 | Very low | 100 Ų | 100 | 132.6 Ų | 132.6 | 83% | 0.826 | 83% | 0.833 | S | S | * | * | 178.7 | 124.6 | 119.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 164 | R | 39.3 | Very low | 37.3 | Very low | 251 Ų | 251 | 131.6 Ų | 131.6 | 95% | 0.947 | 83% | 0.832 | S | S | * | * | trans | -147.1 | 130 | 147.4 | 82.6 | -178.8 | -169.9 | -179.8 | 1.7 | 111.5 | ||||
| 165 | M | 40.6 | Very low | 36.7 | Very low | 185 Ų | 185 | 130 Ų | 130 | 91% | 0.911 | 83% | 0.827 | S | S | * | * | trans | -93.2 | 143.6 | -168.8 | -172.8 | 177 | -175.6 | 0 | 0 | 112.1 | ||||
| 166 | E | 37.2 | Very low | 36.6 | Very low | 132 Ų | 132 | 137.1 Ų | 137.1 | 62% | 0.617 | 84% | 0.836 | S | S | * | * | trans | 4.8 | 121.4 | 157.3 | -145.1 | 61.2 | -127.4 | 0 | 0 | 119 | Y168 | E166-Y168 HydrophobicContact CB-CE2 4.33Å; E166-Y168 HydrophobicContact CG-CD2 3.91Å; E166-Y168 HydrophobicContact CG-CE1 4.29Å; E166-Y168 HydrophobicContact CG-CE2 3.45Å; E166-Y168 VanDerWaalsContact CG-CE2 3.45Å; E166-Y168 HydrophobicContact CG-CG 4.49Å | ||
| 167 | S | 36.2 | Very low | 36.8 | Very low | 113 Ų | 113 | 137.2 Ų | 137.2 | 79% | 0.79 | 84% | 0.837 | S | S | * | * | trans | -127.2 | 105.4 | 161.5 | -175.4 | 0 | 0 | 0 | 0 | 109.2 | G169 | S167-G169 PolarHBondContact O-N 3.26Š| ||
| 168 | Y | 36.2 | Very low | 37 | Very low | 198 Ų | 198 | 131.2 Ų | 131.2 | 78% | 0.776 | 83% | 0.829 | S | S | * | * | trans | -67 | 90.4 | -176 | -72.7 | -86 | 0 | 0 | 0 | 112.5 | E166 | E166-Y168 HydrophobicContact CB-CE2 4.33Å; E166-Y168 HydrophobicContact CG-CD2 3.91Å; E166-Y168 HydrophobicContact CG-CE1 4.29Å; E166-Y168 HydrophobicContact CG-CE2 3.45Å; E166-Y168 VanDerWaalsContact CG-CE2 3.45Å; E166-Y168 HydrophobicContact CG-CG 4.49Å | ||
| 169 | G | 34.3 | Very low | 37.6 | Very low | 74 Ų | 74 | 136.5 Ų | 136.5 | 76% | 0.763 | 84% | 0.835 | S | S | * | * | trans | -86 | 107.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | S167 G171 | S167-G169 PolarHBondContact O-N 3.26Å; G169-G171 PolarHBondContact O-N 3.02Å | ||
| 170 | W | 37.9 | Very low | 37.9 | Very low | 265 Ų | 265 | 135.7 Ų | 135.7 | 100% | 1.004 | 83% | 0.831 | S | S | * | * | trans | -67.6 | 110.3 | 170.2 | -88.9 | 69.9 | 0 | 0 | 0 | 111.1 | ||||
| 171 | G | 40.9 | Very low | 38 | Very low | 56 Ų | 56 | 137.8 Ų | 137.8 | 58% | 0.577 | 82% | 0.823 | S | S | * | * | trans | -124.6 | 151.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | G169 A173 | G169-G171 PolarHBondContact O-N 3.02Å; G171-A173 PolarHBondContact O-N 3.12Å; G171-A173 VanDerWaalsContact O-N 3.14Å | ||
| 172 | P | 46.5 | Very low | 38 | Very low | 141 Ų | 141 | 143.6 Ų | 143.6 | 92% | 0.916 | 83% | 0.829 | S | S | * | * | trans | -77.3 | 103.1 | -169.1 | 30.2 | -34.5 | 0 | 0 | 0 | 112.8 | ||||
| 173 | A | 38.1 | Very low | 38 | Very low | 106 Ų | 106 | 142 Ų | 142 | 88% | 0.876 | 82% | 0.823 | S | S | * | * | trans | -78.1 | 132.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | G171 | G171-A173 PolarHBondContact O-N 3.12Å; G171-A173 VanDerWaalsContact O-N 3.14Å | ||
| 174 | G | 37.7 | Very low | 38.1 | Very low | 77 Ų | 77 | 145.8 Ų | 145.8 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | trans | 171.1 | 25.8 | -179 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 175 | G | 33.4 | Very low | 37.9 | Very low | 79 Ų | 79 | 137 Ų | 137 | 81% | 0.814 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 132 | 171 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 176 | Y | 37.5 | Very low | 37.6 | Very low | 238 Ų | 238 | 139.8 Ų | 139.8 | 93% | 0.933 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 131.6 | 170.5 | -91.4 | -107.3 | 0 | 0 | 0 | 110 | ||
| 177 | A | 41.3 | Very low | 37.7 | Very low | 97 Ų | 97 | 139.7 Ų | 139.7 | 80% | 0.802 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 134.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 178 | G | 38.8 | Very low | 37.8 | Very low | 77 Ų | 77 | 142.7 Ų | 142.7 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 154.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 179 | M | 44.8 | Very low | 37.9 | Very low | 192 Ų | 192 | 140.8 Ų | 140.8 | 95% | 0.946 | 83% | 0.827 | S | S | * | * | trans | -117.3 | 120.7 | 160.1 | -65.2 | -166.4 | 100.4 | 0 | 0 | 109.5 | ||||
| 180 | Q | 37.9 | Very low | 38.1 | Very low | 187 Ų | 187 | 143.6 Ų | 143.6 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | trans | -65.4 | 164.8 | 153 | -83.5 | 178.2 | -32.9 | 0 | 0 | 109.4 | ||||
| 181 | N | 33.7 | Very low | 38.3 | Very low | 127 Ų | 127 | 139 Ų | 139 | 68% | 0.679 | 81% | 0.814 | S | S | * | * | cis | 179.9 | 113.4 | -13.5 | 162.4 | 32.6 | 0 | 0 | 0 | 105.8 | ||||
| 182 | E | 31.4 | Very low | 38.1 | Very low | 198 Ų | 198 | 147.5 Ų | 147.5 | 93% | 0.925 | 83% | 0.828 | S | S | * | * | trans | -138.2 | 110.2 | 172.6 | -68.5 | -171 | -137.3 | 0 | 0 | 110.4 | ||||
| 183 | A | 36.5 | Very low | 37.7 | Very low | 88 Ų | 88 | 151 Ų | 151 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | trans | -102.8 | 115.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 184 | L | 40.7 | Very low | 37.7 | Very low | 180 Ų | 180 | 151.7 Ų | 151.7 | 94% | 0.942 | 81% | 0.814 | S | S | * | * | trans | -129.5 | 119.9 | 158.4 | -70.1 | 176.3 | 0 | 0 | 0 | 107 | ||||
| 185 | G | 33.9 | Very low | 38.1 | Very low | 68 Ų | 68 | 156.2 Ų | 156.2 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | trans | -90.6 | 171.2 | -166.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 186 | Y | 35.2 | Very low | 38.6 | Very low | 242 Ų | 242 | 157.1 Ų | 157.1 | 95% | 0.949 | 81% | 0.813 | S | S | * | * | trans | -153.2 | 148 | 137.7 | -106.8 | -75.6 | 0 | 0 | 0 | 109.3 | ||||
| 187 | T | 39.3 | Very low | 38.7 | Very low | 131 Ų | 131 | 149.7 Ų | 149.7 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -89.1 | 146.2 | -177.1 | 53.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 188 | Q | 37.8 | Very low | 38.9 | Very low | 176 Ų | 176 | 153 Ų | 153 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | -153.4 | 156.6 | 155.4 | -110 | -68.4 | 35.8 | 0 | 0 | 110.8 | ||||
| 189 | Q | 38.6 | Very low | 38.8 | Very low | 157 Ų | 157 | 157.7 Ų | 157.7 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | -98.5 | 160.8 | -147.9 | -64 | -175.8 | -15.1 | 0 | 0 | 116.1 | ||||
| 190 | L | 38.3 | Very low | 38.4 | Very low | 133 Ų | 133 | 158.5 Ų | 158.5 | 70% | 0.696 | 80% | 0.799 | S | S | * | * | trans | 4.8 | 133.6 | 142.3 | -63.7 | 164.2 | 0 | 0 | 0 | 117.4 | ||||
| 191 | H | 41.1 | Very low | 39 | Very low | 168 Ų | 168 | 155 Ų | 155 | 78% | 0.778 | 79% | 0.792 | S | S | * | * | -154.8 | 123.2 | 92.5 | -82.4 | 111.7 | 0 | 0 | 0 | 111 | |||||
| 192 | R | 36.8 | Very low | 39.1 | Very low | 236 Ų | 236 | 157.9 Ų | 157.9 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | trans | -96.9 | 111.3 | 174.2 | 173.8 | -173.2 | -176.2 | 172.9 | 1 | 107.4 | ||||
| 193 | Y | 38.4 | Very low | 39.5 | Very low | 215 Ų | 215 | 152.2 Ų | 152.2 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | trans | -85 | 144 | 169.8 | -91.1 | -79.4 | 0 | 0 | 0 | 111.9 | ||||
| 194 | D | 39.5 | Very low | 39.8 | Very low | 119 Ų | 119 | 156.3 Ų | 156.3 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | trans | -83.4 | 143.7 | -175.4 | -179.5 | 14.6 | 0 | 0 | 0 | 111.3 | S196 | D194-S196 VanDerWaalsContact CG-OG 3.29Å; D194-S196 VanDerWaalsContact OD1-CB 3.24Å; D194-S196 WeakPolarHBondContact OD1-CB 3.48Å; D194-S196 PolarHBondContact OD1-N 3.47Å; D194-S196 PolarHBondContact OD1-OG 3.46Å; D194-S196 PolarHBondContact OD2-OG 3.36Å | ||
| 195 | L | 45.5 | Very low | 40 | Very low | 173 Ų | 173 | 154 Ų | 154 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | trans | -142.8 | 42.3 | 172.3 | -103.1 | 166.1 | 0 | 0 | 0 | 110.3 | A197 | L195-A197 VanDerWaalsContact C-N 3.29Å; L195-A197 PolarHBondContact O-N 3.39Å; L195-A197 VanDerWaalsContact O-N 3.11Å | ||
| 196 | S | 43.3 | Very low | 40.3 | Very low | 98 Ų | 98 | 155.4 Ų | 155.4 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | trans | -82 | 63.1 | 174.1 | 58.3 | 0 | 0 | 0 | 0 | 112.9 | D194 | D194-S196 VanDerWaalsContact CG-OG 3.29Å; D194-S196 VanDerWaalsContact OD1-CB 3.24Å; D194-S196 WeakPolarHBondContact OD1-CB 3.48Å; D194-S196 PolarHBondContact OD1-N 3.47Å; D194-S196 PolarHBondContact OD1-OG 3.46Å; D194-S196 PolarHBondContact OD2-OG 3.36Å | ||
| 197 | A | 39.7 | Very low | 40.5 | Very low | 82 Ų | 82 | 148.5 Ų | 148.5 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | trans | -150.6 | 92.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L195 | L195-A197 VanDerWaalsContact C-N 3.29Å; L195-A197 PolarHBondContact O-N 3.39Å; L195-A197 VanDerWaalsContact O-N 3.11Å | ||
| 198 | L | 44.9 | Very low | 40.6 | Very low | 167 Ų | 167 | 150.1 Ų | 150.1 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | 179.3 | 92.1 | 132.4 | -95 | 174 | 0 | 0 | 0 | 109.6 | ||||
| 199 | Q | 38.2 | Very low | 40.9 | Very low | 175 Ų | 175 | 147 Ų | 147 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -81.7 | 120.8 | 175 | 176.7 | 86.7 | 14.4 | 0 | 0 | 109.9 | ||||
| 200 | Y | 36.7 | Very low | 41.1 | Very low | 208 Ų | 208 | 149 Ų | 149 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | trans | -139.3 | 148.9 | 158 | -92 | -81.2 | 0 | 0 | 0 | 110.5 | ||||
| 201 | P | 50 | Low | 41.2 | Very low | 113 Ų | 113 | 150.8 Ų | 150.8 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | -92.2 | 156.6 | -149.8 | 35 | -36.3 | 0 | 0 | 0 | 115.6 | ||||
| 202 | Q | 34.6 | Very low | 41.2 | Very low | 189 Ų | 189 | 150.9 Ų | 150.9 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -80.2 | 141.2 | 177.3 | -164.5 | -170 | -14.3 | 0 | 0 | 111.9 | ||||
| 203 | A | 40 | Very low | 41.1 | Very low | 79 Ų | 79 | 143.1 Ų | 143.1 | 65% | 0.653 | 79% | 0.787 | S | S | * | * | trans | -145.3 | 150.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 204 | M | 42.9 | Very low | 41.1 | Very low | 173 Ų | 173 | 137.2 Ų | 137.2 | 85% | 0.852 | 78% | 0.783 | S | S | * | * | trans | 78.9 | 84.6 | 172.8 | -49.2 | -47.8 | 170.8 | 0 | 0 | 118.2 | ||||
| 205 | T | 45.2 | Very low | 41 | Very low | 131 Ų | 131 | 139.7 Ų | 139.7 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -21.7 | 154.2 | 144.3 | 43.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 206 | A | 39.5 | Very low | 40.7 | Very low | 99 Ų | 99 | 138.2 Ų | 138.2 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | 82.1 | 85 | 141.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 207 | A | 40.6 | Very low | 40.2 | Very low | 96 Ų | 96 | 143.3 Ų | 143.3 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | trans | -148.4 | 103.5 | 138.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 208 | Q | 40 | Very low | 40.1 | Very low | 166 Ų | 166 | 145.2 Ų | 145.2 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | 44.9 | 99.9 | 131.9 | -59.9 | -70.7 | -1.2 | 0 | 0 | 118.6 | ||||
| 209 | T | 44.9 | Very low | 40.4 | Very low | 109 Ų | 109 | 141.9 Ų | 141.9 | 67% | 0.669 | 80% | 0.796 | S | S | * | * | 16.2 | 116.5 | 115.9 | -52.4 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 210 | Y | 42 | Very low | 40.4 | Very low | 200 Ų | 200 | 142.6 Ų | 142.6 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | -174.7 | 135.5 | 124.5 | -101.1 | -67.5 | 0 | 0 | 0 | 111.2 | |||||
| 211 | M | 41.1 | Very low | 40.3 | Very low | 171 Ų | 171 | 137.5 Ų | 137.5 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | trans | 67.4 | 68.4 | 161.7 | -56.5 | -62.8 | 166.1 | 0 | 0 | 118.7 | ||||
| 212 | N | 42.3 | Very low | 39.4 | Very low | 170 Ų | 170 | 143 Ų | 143 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | trans | -113.2 | 101.7 | 146.1 | -167.1 | -14.4 | 0 | 0 | 0 | 108.2 | ||||
| 213 | G | 34.4 | Very low | 39.2 | Very low | 73 Ų | 73 | 139.9 Ų | 139.9 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | -111.9 | 103.9 | -174 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 214 | A | 37.4 | Very low | 39 | Very low | 91 Ų | 91 | 141.4 Ų | 141.4 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 143.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 215 | N | 38.8 | Very low | 38.4 | Very low | 171 Ų | 171 | 139 Ų | 139 | 91% | 0.914 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 128.7 | 173.9 | -107.2 | 11.2 | 0 | 0 | 0 | 111 | ||
| 216 | T | 37.7 | Very low | 37.9 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 87% | 0.865 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -87 | 149.4 | -179.7 | -51 | 0 | 0 | 0 | 0 | 112.6 | ||
| 217 | Y | 33.4 | Very low | 37.8 | Very low | 206 Ų | 206 | 143.3 Ų | 143.3 | 81% | 0.808 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 150.5 | -174.1 | -134.7 | -108.7 | 0 | 0 | 0 | 114.6 | P219 | Y217-P219 HydrophobicContact CE1-CG 4.35Š|
| 218 | S | 37.1 | Very low | 37.7 | Very low | 122 Ų | 122 | 147.3 Ų | 147.3 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | trans | -176.9 | 125.6 | 134.6 | -82.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 219 | P | 52.4 | Low | 38.2 | Very low | 97 Ų | 97 | 144.1 Ų | 144.1 | 63% | 0.63 | 81% | 0.809 | S | S | * | * | trans | -101.8 | 154.5 | 173.2 | 37.8 | -31.5 | 0 | 0 | 0 | 112.6 | Y217 | Y217-P219 HydrophobicContact CE1-CG 4.35Š| ||
| 220 | M | 37.4 | Very low | 37.5 | Very low | 189 Ų | 189 | 144 Ų | 144 | 93% | 0.931 | 81% | 0.812 | S | S | * | * | trans | -147.2 | 163.9 | 164.3 | -141.7 | 67.4 | 178.9 | 0 | 0 | 111.2 | ||||
| 221 | S | 33.8 | Very low | 38 | Very low | 102 Ų | 102 | 139.7 Ų | 139.7 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | trans | -110.9 | 163.8 | -140.8 | 49.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 222 | Y | 31.1 | Very low | 38 | Very low | 228 Ų | 228 | 137.1 Ų | 137.1 | 89% | 0.894 | 80% | 0.802 | S | S | * | * | trans | -23.2 | 141.6 | 168.2 | -81.4 | -99.4 | 0 | 0 | 0 | 119.1 | ||||
| 223 | S | 32 | Very low | 37.8 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | -148.5 | 143.9 | 125.7 | 68.7 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 224 | S | 34.4 | Very low | 38.2 | Very low | 111 Ų | 111 | 138.4 Ų | 138.4 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | -106.1 | 146.9 | -172.4 | 53.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 225 | S | 30.3 | Very low | 38.6 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -152.8 | 156.9 | 142.4 | 79.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 226 | T | 34.9 | Very low | 38.7 | Very low | 122 Ų | 122 | 141.6 Ų | 141.6 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -103.6 | 155.7 | -171.3 | 46.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 227 | Q | 37.3 | Very low | 38.6 | Very low | 198 Ų | 198 | 143.7 Ų | 143.7 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | trans | -168.7 | 170.1 | 131.7 | -107.4 | 161.4 | 110.4 | 0 | 0 | 115.4 | ||||
| 228 | Q | 38.5 | Very low | 39.3 | Very low | 180 Ų | 180 | 139.1 Ų | 139.1 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | trans | -97.6 | 172.9 | -153.8 | -72.5 | -76.3 | -6.2 | 0 | 0 | 114.5 | ||||
| 229 | P | 50.2 | Low | 39.3 | Very low | 100 Ų | 100 | 141.7 Ų | 141.7 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | trans | -106.5 | -173.4 | -166.8 | 41.5 | -37.4 | 0 | 0 | 0 | 115.7 | ||||
| 230 | S | 31.6 | Very low | 39 | Very low | 107 Ų | 107 | 143 Ų | 143 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | 104.1 | 165.3 | 159.7 | -48.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 231 | P | 53 | Low | 39.1 | Very low | 108 Ų | 108 | 139 Ų | 139 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | cis | -141.1 | 174.9 | -39.5 | 33.1 | -13.2 | 0 | 0 | 0 | 116.3 | ||||
| 232 | V | 40.2 | Very low | 39.4 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 71% | 0.709 | 80% | 0.795 | S | S | * | * | trans | 53.9 | 142.7 | 152.4 | -66 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 233 | M | 38 | Very low | 39.8 | Very low | 159 Ų | 159 | 137.1 Ų | 137.1 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | 151.5 | 96.3 | 127.9 | -75.2 | -44.7 | 178.4 | 0 | 0 | 108.2 | |||||
| 234 | S | 41.8 | Very low | 40 | Very low | 111 Ų | 111 | 136.7 Ų | 136.7 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | 50.1 | 89.5 | 81.4 | -167.5 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 235 | M | 46.2 | Very low | 40.9 | Very low | 190 Ų | 190 | 137.5 Ų | 137.5 | 94% | 0.936 | 79% | 0.789 | S | S | * | * | trans | -139.6 | 133.8 | 150.8 | -70.4 | -159.5 | -168.9 | 0 | 0 | 110.4 | ||||
| 236 | V | 41.5 | Very low | 41.5 | Very low | 139 Ų | 139 | 138.6 Ų | 138.6 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | trans | -106.2 | -172.4 | -176.5 | 74.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 237 | K | 36.3 | Very low | 41.5 | Very low | 186 Ų | 186 | 136.8 Ų | 136.8 | 81% | 0.809 | 80% | 0.797 | S | S | * | * | trans | 93.9 | 154.9 | 162.4 | -114.2 | -179.5 | 177.3 | 176.2 | 0 | 116.1 | ||||
| 238 | P | 47.3 | Very low | 41.4 | Very low | 110 Ų | 110 | 130.8 Ų | 130.8 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | -132.6 | 176.4 | -82.3 | 43.4 | -31 | 0 | 0 | 0 | 114.6 | |||||
| 239 | E | 36.8 | Very low | 42 | Very low | 175 Ų | 175 | 129 Ų | 129 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -70.5 | 155.9 | 162 | -74.2 | -163.1 | 140.1 | 0 | 0 | 113.2 | ||||
| 240 | P | 46.1 | Very low | 41.5 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | -109.1 | 120.7 | 151.6 | 34.1 | -24.2 | 0 | 0 | 0 | 112.5 | ||||
| 241 | V | 39.6 | Very low | 41.9 | Very low | 104 Ų | 104 | 131.9 Ų | 131.9 | 63% | 0.63 | 79% | 0.788 | S | S | * | * | trans | -76.1 | 154.3 | 165.9 | -81.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 242 | S | 40.1 | Very low | 41.3 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | -155 | 146.3 | 159.5 | -82.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 243 | H | 39.1 | Very low | 41.1 | Very low | 169 Ų | 169 | 142.4 Ų | 142.4 | 78% | 0.782 | 81% | 0.809 | S | S | * | * | trans | -112.3 | 159.7 | -162.9 | -54.3 | -91 | 0 | 0 | 0 | 112.6 | ||||
| 244 | S | 37.7 | Very low | 40.8 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -72.3 | 170.3 | 174.8 | -45.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 245 | P | 53 | Low | 41.2 | Very low | 128 Ų | 128 | 138.7 Ų | 138.7 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | -140.8 | -174.5 | 112.7 | 35.1 | -19.3 | 0 | 0 | 0 | 115.8 | |||||
| 246 | T | 43.3 | Very low | 41.4 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 90% | 0.896 | 80% | 0.802 | S | S | * | * | trans | -94.2 | 161.3 | -159.3 | 46.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 247 | G | 33.3 | Very low | 41.7 | Very low | 84 Ų | 84 | 140.1 Ų | 140.1 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | trans | 174.2 | 130.8 | 156 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 248 | G | 35.3 | Very low | 42.6 | Very low | 71 Ų | 71 | 134.1 Ų | 134.1 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | trans | -134.4 | 164.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 249 | P | 51 | Low | 43.6 | Very low | 142 Ų | 142 | 133.3 Ų | 133.3 | 92% | 0.922 | 79% | 0.785 | S | S | * | * | -139.6 | -176.1 | 125.5 | 35.5 | -20.5 | 0 | 0 | 0 | 113.9 | |||||
| 250 | N | 40.7 | Very low | 45.2 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 67% | 0.668 | 77% | 0.773 | S | S | * | * | trans | -112.8 | 172.9 | -159.9 | -166.3 | 4.6 | 0 | 0 | 0 | 112.7 | ||||
| 251 | H | 40.1 | Very low | 46.1 | Very low | 144 Ų | 144 | 133.2 Ų | 133.2 | 67% | 0.667 | 77% | 0.769 | S | S | * | * | trans | 79.1 | 135.8 | 175.6 | -39.7 | -59.8 | 0 | 0 | 0 | 113.7 | ||||
| 252 | H | 40 | Very low | 47.3 | Very low | 196 Ų | 196 | 133.6 Ų | 133.6 | 91% | 0.907 | 77% | 0.767 | S | S | * | * | cis | -131.3 | 169.1 | 49.1 | -61.2 | -69.6 | 0 | 0 | 0 | 117 | ||||
| 253 | R | 36.3 | Very low | 49.1 | Very low | 250 Ų | 250 | 133.3 Ų | 133.3 | 94% | 0.943 | 75% | 0.753 | S | S | * | * | trans | -100.5 | 126.7 | -165 | 179.7 | -177.6 | -174.9 | 172.8 | 1.3 | 111 | ||||
| 254 | G | 31.9 | Very low | 50.4 | Low | 59 Ų | 59 | 129.6 Ų | 129.6 | 61% | 0.608 | 74% | 0.738 | S | S | * | * | trans | -113.1 | 153.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L256 | G254-L256 PolarHBondContact O-N 3.41Š| ||
| 255 | P | 49.9 | Very low | 51.9 | Low | 133 Ų | 133 | 128 Ų | 128 | 86% | 0.864 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -92.8 | 51.9 | -151.8 | 38.2 | -39.4 | 0 | 0 | 0 | 115 | ||
| 256 | L | 50.2 | Low | 52.9 | Low | 168 Ų | 168 | 128.8 Ų | 128.8 | 88% | 0.88 | 72% | 0.722 | S | S | * | * | trans | -143.5 | 73 | 172.4 | -74.6 | -179.8 | 0 | 0 | 0 | 112.3 | G254 | G254-L256 PolarHBondContact O-N 3.41Š| ||
| 257 | Q | 48.6 | Very low | 54 | Low | 191 Ų | 191 | 130.3 Ų | 130.3 | 89% | 0.893 | 71% | 0.712 | S | S | * | * | trans | -154.6 | 103.1 | 158.9 | -122.3 | 167.5 | 2.4 | 0 | 0 | 109.1 | ||||
| 258 | G | 54.2 | Low | 55.7 | Low | 59 Ų | 59 | 131.5 Ų | 131.5 | 61% | 0.608 | 70% | 0.698 | S | S | * | * | trans | -63.6 | 131 | 154.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | L260 | G258-L260 PolarHBondContact O-N 3.19Š| ||
| 259 | D | 68.3 | Low | 56.5 | Low | 93 Ų | 93 | 134.3 Ų | 134.3 | 50% | 0.497 | 70% | 0.703 | S | S | . | * | trans | -59.5 | 138.9 | 177.2 | -168.6 | -15.4 | 0 | 0 | 0 | 108.2 | R261 D262 M263 | D259-R261 HydrophobicContact CB-CB 4.27Å; D259-R261 PolarHBondContact O-N 3.02Å; D259-R261 VanDerWaalsContact O-N 3.09Å; D259-R261 PolarHBondContact OD1-N 3.47Å; D259-D262 PolarHBondContact O-N 3.2Å; D259-M263 PolarHBondContact O-N 2.91Å; D259-M263 VanDerWaalsContact O-N 3.12Å | ||
| 260 | L | 70.6 | Confident | 56.6 | Low | 108 Ų | 108 | 131.1 Ų | 131.1 | 57% | 0.565 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -57 | -25.6 | 173.4 | -176.1 | 62.8 | 0 | 0 | 0 | 110.4 | G258 M263 I264 | G258-L260 PolarHBondContact O-N 3.19Å; L260-M263 HydrophobicContact CD1-CE 4.3Å; L260-M263 HydrophobicContact CD1-SD 4.14Å; L260-M263 PolarHBondContact O-N 3.18Å; L260-I264 HydrophobicContact CD1-CD1 4.48Å; L260-I264 HydrophobicContact CG-CD1 4.02Å; L260-I264 WeakPolarHBondContact O-CD1 3.22Å; L260-I264 VanDerWaalsContact O-CG1 3.23Å; L260-I264 WeakPolarHBondContact O-CG1 3.11Å; L260-I264 PolarHBondContact O-N 3.14Å |
| 261 | R | 64.8 | Low | 56.7 | Low | 191 Ų | 191 | 128.3 Ų | 128.3 | 72% | 0.721 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -62.3 | -46.1 | 172.8 | -147.8 | 163.6 | -172.3 | -108.6 | -2.6 | 113.2 | D259 I264 S265 | D259-R261 HydrophobicContact CB-CB 4.27Å; D259-R261 PolarHBondContact O-N 3.02Å; D259-R261 VanDerWaalsContact O-N 3.09Å; D259-R261 PolarHBondContact OD1-N 3.47Å; R261-I264 PolarHBondContact O-N 3.14Å; R261-S265 PolarHBondContact O-N 2.74Å; R261-S265 VanDerWaalsContact O-N 3.08Å; R261-S265 PolarHBondContact O-OG 3.31Å |
| 262 | D | 65.4 | Low | 56.8 | Low | 112 Ų | 112 | 129.4 Ų | 129.4 | 60% | 0.599 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -68.3 | -38 | 175.7 | -68.4 | -22.6 | 0 | 0 | 0 | 111.3 | D259 I264 S265 M266 | D259-D262 PolarHBondContact O-N 3.2Å; D262-I264 VanDerWaalsContact C-N 3.27Å; D262-I264 PolarHBondContact O-N 3.01Å; D262-S265 PolarHBondContact O-N 2.84Å; D262-M266 PolarHBondContact O-N 3.35Å |
| 263 | M | 78.2 | Confident | 57.3 | Low | 115 Ų | 115 | 124.6 Ų | 124.6 | 57% | 0.567 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -63 | -32.8 | 177 | -162.1 | -172.2 | -50.6 | 0 | 0 | 112.4 | D259 L260 Y267 | D259-M263 PolarHBondContact O-N 2.91Å; D259-M263 VanDerWaalsContact O-N 3.12Å; L260-M263 HydrophobicContact CD1-CE 4.3Å; L260-M263 HydrophobicContact CD1-SD 4.14Å; L260-M263 PolarHBondContact O-N 3.18Å; M263-Y267 WeakPolarHBondContact O-CD2 3.45Å |
| 264 | I | 65.8 | Low | 57.5 | Low | 91 Ų | 91 | 118.2 Ų | 118.2 | 47% | 0.467 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -78.8 | -41.4 | 176.2 | -69.9 | 165.2 | 0 | 0 | 0 | 111.1 | L260 R261 D262 M266 Y267 I268 | L260-I264 HydrophobicContact CD1-CD1 4.48Å; L260-I264 HydrophobicContact CG-CD1 4.02Å; L260-I264 WeakPolarHBondContact O-CD1 3.22Å; L260-I264 VanDerWaalsContact O-CG1 3.23Å; L260-I264 WeakPolarHBondContact O-CG1 3.11Å; L260-I264 PolarHBondContact O-N 3.14Å; R261-I264 PolarHBondContact O-N 3.14Å; D262-I264 VanDerWaalsContact C-N 3.27Å; D262-I264 PolarHBondContact O-N 3.01Å; I264-M266 PolarHBondContact O-N 3.15Å; I264-Y267 PolarHBondContact O-N 3.02Å; I264-I268 HydrophobicContact CG2-CD1 4.14Å |
| 265 | S | 68.5 | Low | 57.8 | Low | 82 Ų | 82 | 121.6 Ų | 121.6 | 57% | 0.573 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -57.4 | -31.6 | 177.9 | -71.1 | 0 | 0 | 0 | 0 | 113.4 | R261 D262 Y267 | R261-S265 PolarHBondContact O-N 2.74Å; R261-S265 VanDerWaalsContact O-N 3.08Å; R261-S265 PolarHBondContact O-OG 3.31Å; D262-S265 PolarHBondContact O-N 2.84Å; S265-Y267 PolarHBondContact O-N 3.39Å |
| 266 | M | 74.4 | Confident | 57.5 | Low | 144 Ų | 144 | 121.7 Ų | 121.7 | 71% | 0.709 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -15.6 | 179 | -154.6 | -171.5 | 71.5 | 0 | 0 | 114.1 | D262 I264 | D262-M266 PolarHBondContact O-N 3.35Å; I264-M266 PolarHBondContact O-N 3.15Å |
| 267 | Y | 66.9 | Low | 57.1 | Low | 179 Ų | 179 | 117.6 Ų | 117.6 | 70% | 0.702 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | 6.1 | -178.2 | -74.7 | -84 | 0 | 0 | 0 | 114.3 | M263 I264 S265 | M263-Y267 WeakPolarHBondContact O-CD2 3.45Å; I264-Y267 PolarHBondContact O-N 3.02Å; S265-Y267 PolarHBondContact O-N 3.39Å |
| 268 | I | 68.3 | Low | 56.6 | Low | 109 Ų | 109 | 113 Ų | 113 | 56% | 0.559 | 69% | 0.685 | S | S | * | * | trans | -117.3 | 99.1 | 174.1 | -57 | -175.6 | 0 | 0 | 0 | 109.1 | I264 G270 | I264-I268 HydrophobicContact CG2-CD1 4.14Å; I268-G270 PolarHBondContact O-N 3.11Å | ||
| 269 | P | 52.3 | Low | 56.3 | Low | 130 Ų | 130 | 119.4 Ų | 119.4 | 84% | 0.844 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -71.3 | 113.3 | 175.1 | -14.8 | 30 | 0 | 0 | 0 | 110.5 | ||
| 270 | G | 53.6 | Low | 55.1 | Low | 75 Ų | 75 | 127 Ų | 127 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | trans | 95.7 | 92.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | I268 | I268-G270 PolarHBondContact O-N 3.11Š| ||
| 271 | G | 41.9 | Very low | 53.3 | Low | 66 Ų | 66 | 125.8 Ų | 125.8 | 68% | 0.68 | 73% | 0.734 | S | S | * | * | trans | -174.2 | 67.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 272 | D | 42 | Very low | 52.1 | Low | 166 Ų | 166 | 119.9 Ų | 119.9 | 89% | 0.888 | 73% | 0.732 | S | S | * | * | trans | -60.2 | 132.3 | -179.9 | 54.4 | -57.3 | 0 | 0 | 0 | 112.2 | ||||
| 273 | A | 51.9 | Low | 50.7 | Low | 96 Ų | 96 | 125.5 Ų | 125.5 | 79% | 0.793 | 75% | 0.747 | S | S | * | * | trans | -144.5 | 59 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 274 | S | 40.9 | Very low | 48.8 | Very low | 116 Ų | 116 | 124.4 Ų | 124.4 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | trans | -173.2 | 97.4 | 154.5 | 47.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 275 | D | 37.9 | Very low | 47.6 | Very low | 129 Ų | 129 | 125.9 Ų | 125.9 | 69% | 0.69 | 76% | 0.763 | S | S | * | * | trans | -148.8 | 108.9 | 143.7 | -162.2 | -16.2 | 0 | 0 | 0 | 111.9 | A277 | D275-A277 WeakPolarHBondContact OD1-CB 3.24Å; D275-A277 PolarHBondContact OD1-N 2.86Å | ||
| 276 | P | 43.9 | Very low | 46.3 | Very low | 135 Ų | 135 | 129.1 Ų | 129.1 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | trans | -93.4 | 29.8 | 173.1 | 37.9 | -33.6 | 0 | 0 | 0 | 113.5 | ||||
| 277 | A | 40.5 | Very low | 44.8 | Very low | 82 Ų | 82 | 131 Ų | 131 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | trans | -121.5 | 32.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | D275 | D275-A277 WeakPolarHBondContact OD1-CB 3.24Å; D275-A277 PolarHBondContact OD1-N 2.86Å | ||
| 278 | A | 38.7 | Very low | 43.4 | Very low | 94 Ų | 94 | 128.1 Ų | 128.1 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | trans | -120.9 | 42.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 279 | Q | 46.6 | Very low | 42.1 | Very low | 195 Ų | 195 | 133.7 Ų | 133.7 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | trans | -106.1 | 82.7 | 159.3 | -81.8 | -164.1 | 38.9 | 0 | 0 | 111.2 | ||||
| 280 | R | 44 | Very low | 41.8 | Very low | 253 Ų | 253 | 134.5 Ų | 134.5 | 96% | 0.955 | 78% | 0.781 | S | S | * | * | trans | -167 | 140 | 149.2 | -83.3 | -136.8 | 176.4 | -155.7 | -1.9 | 111.3 | ||||
| 281 | G | 33.2 | Very low | 41.1 | Very low | 82 Ų | 82 | 136.2 Ų | 136.2 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | 101.5 | 86 | 160 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 282 | G | 38.2 | Very low | 41 | Very low | 66 Ų | 66 | 136.9 Ų | 136.9 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | trans | -99.2 | 121.9 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 283 | Y | 37.6 | Very low | 41.4 | Very low | 230 Ų | 230 | 135.1 Ų | 135.1 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | trans | -170.1 | 152.3 | 163.5 | -73 | -59.7 | 0 | 0 | 0 | 106.9 | ||||
| 284 | S | 38.1 | Very low | 41.5 | Very low | 92 Ų | 92 | 137.2 Ų | 137.2 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | cis | -171.6 | 175.2 | -21.3 | 55.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 285 | V | 39.7 | Very low | 42.4 | Very low | 122 Ų | 122 | 137 Ų | 137 | 74% | 0.739 | 78% | 0.783 | S | S | * | * | trans | 71.1 | 136.8 | 161.7 | 176.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 286 | Q | 41.7 | Very low | 42.9 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | cis | -148.8 | 155.8 | 2.6 | -139.3 | 161.4 | -35 | 0 | 0 | 110.5 | H288 | Q286-H288 PolarHBondContact NE2-CD2 2.71Å; Q286-H288 PolarHBondContact NE2-NE2 3.26Å | ||
| 287 | Q | 42.5 | Very low | 43.4 | Very low | 182 Ų | 182 | 137.5 Ų | 137.5 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | trans | -114.3 | 116.4 | 170.2 | -82.6 | -82.1 | 25 | 0 | 0 | 110.3 | ||||
| 288 | H | 38.1 | Very low | 43.7 | Very low | 119 Ų | 119 | 142 Ų | 142 | 55% | 0.551 | 79% | 0.793 | S | S | * | * | trans | -147.1 | 133.3 | 165.5 | -66.7 | -91 | 0 | 0 | 0 | 106 | Q286 | Q286-H288 PolarHBondContact NE2-CD2 2.71Å; Q286-H288 PolarHBondContact NE2-NE2 3.26Å | ||
| 289 | Y | 40.2 | Very low | 44.3 | Very low | 227 Ų | 227 | 149 Ų | 149 | 89% | 0.89 | 81% | 0.814 | S | S | * | * | cis | -132.3 | 167.7 | 44 | -95.1 | -100.7 | 0 | 0 | 0 | 115.3 | ||||
| 290 | L | 45.7 | Very low | 44.2 | Very low | 147 Ų | 147 | 146.7 Ų | 146.7 | 77% | 0.77 | 81% | 0.81 | S | S | * | * | trans | -88.4 | 150.8 | -173.7 | -70.2 | 106.3 | 0 | 0 | 0 | 115.1 | ||||
| 291 | S | 39.6 | Very low | 44.2 | Very low | 111 Ų | 111 | 141.1 Ų | 141.1 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | 50 | 118.7 | 132.2 | -158.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 292 | G | 40.5 | Very low | 44.8 | Very low | 80 Ų | 80 | 144.4 Ų | 144.4 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -147.5 | 126.7 | 157.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 293 | T | 49.9 | Very low | 45.2 | Very low | 129 Ų | 129 | 149 Ų | 149 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -94.8 | 149.5 | -161.7 | 52.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 294 | V | 54.6 | Low | 45.7 | Very low | 139 Ų | 139 | 143.9 Ų | 143.9 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | trans | -76.4 | 145.4 | 169.8 | -137.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 295 | P | 58.7 | Low | 46.2 | Very low | 113 Ų | 113 | 147.4 Ų | 147.4 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | -140 | 145.4 | 111.9 | 35.1 | -21.2 | 0 | 0 | 0 | 111.7 | |||||
| 296 | L | 48.3 | Very low | 46.6 | Very low | 156 Ų | 156 | 149.2 Ų | 149.2 | 82% | 0.817 | 82% | 0.816 | S | S | * | * | 65.5 | 95.7 | 60 | -165.1 | 82.2 | 0 | 0 | 0 | 115.6 | |||||
| 297 | S | 54.1 | Low | 47 | Very low | 117 Ų | 117 | 149.1 Ų | 149.1 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -175.8 | 160.3 | 138.7 | 48.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 298 | H | 48.5 | Very low | 47.4 | Very low | 178 Ų | 178 | 146.3 Ų | 146.3 | 82% | 0.824 | 82% | 0.822 | S | S | * | * | trans | -84.6 | 149 | -175.8 | -62.3 | 10.5 | 0 | 0 | 0 | 114 | ||||
| 299 | I | 50.4 | Low | 48.2 | Very low | 240 Ų | 240 | 148.8 Ų | 148.8 | 100% | 1.231 | 85% | 0.847 | S | S | * | * | 169.3 | 0 | 113.8 | -88 | 171.5 | 0 | 0 | 0 | 108.6 |
Retrieved 299 of 299 residues in 824.6 ms
(Link to these results)