| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.3 | Very low | 40 | Very low | 224 Ų | 224 | 154.1 Ų | 154.1 | 100% | 1.103 | 81% | 0.81 | S | S | * | * | 0 | 88.2 | 0 | -88.9 | -71.7 | 179.5 | 0 | 0 | 103.8 | |||||
| 2 | D | 29.3 | Very low | 39.6 | Very low | 145 Ų | 145 | 153.3 Ų | 153.3 | 78% | 0.775 | 81% | 0.807 | S | S | * | * | trans | -131.3 | 124.8 | -160.8 | -65.7 | -73.8 | 0 | 0 | 0 | 111.5 | T4 | D2-T4 PolarHBondContact O-N 3.04Š| ||
| 3 | L | 45.6 | Very low | 39.7 | Very low | 169 Ų | 169 | 155.8 Ų | 155.8 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | trans | -74.3 | 80 | -169.2 | -71.1 | 155.7 | 0 | 0 | 0 | 112.2 | ||||
| 4 | T | 47.3 | Very low | 39.5 | Very low | 112 Ų | 112 | 153.3 Ų | 153.3 | 69% | 0.687 | 81% | 0.808 | S | S | * | * | trans | -114.8 | 6.3 | 169.4 | 52.2 | 0 | 0 | 0 | 0 | 113.9 | D2 | D2-T4 PolarHBondContact O-N 3.04Š| ||
| 5 | W | 40.1 | Very low | 39.1 | Very low | 234 Ų | 234 | 156.7 Ų | 156.7 | 89% | 0.886 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -94.5 | 0.8 | -175 | -95.6 | 64.9 | 0 | 0 | 0 | 115.9 | ||
| 6 | L | 38.2 | Very low | 38.9 | Very low | 138 Ų | 138 | 156.7 Ų | 156.7 | 72% | 0.723 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -104.8 | 4.7 | -175 | -107 | 120 | 0 | 0 | 0 | 116.2 | ||
| 7 | S | 34.8 | Very low | 38.5 | Very low | 104 Ų | 104 | 159.9 Ų | 159.9 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -89.4 | -5.3 | 178.1 | 55.3 | 0 | 0 | 0 | 0 | 115.5 | ||
| 8 | C | 37.9 | Very low | 38.3 | Very low | 108 Ų | 108 | 156.2 Ų | 156.2 | 73% | 0.73 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -99.3 | 0.7 | -176.8 | -84.5 | 0 | 0 | 0 | 0 | 115.8 | ||
| 9 | L | 39.3 | Very low | 37.9 | Very low | 140 Ų | 140 | 159.9 Ų | 159.9 | 73% | 0.733 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -90.5 | 3.1 | -175.5 | -80.4 | 168.7 | 0 | 0 | 0 | 115.6 | ||
| 10 | I | 42.8 | Very low | 37.6 | Very low | 152 Ų | 152 | 162.3 Ų | 162.3 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -105.7 | -11.4 | -177.5 | -60.6 | -178.1 | 0 | 0 | 0 | 113.8 | ||
| 11 | L | 42.5 | Very low | 37.2 | Very low | 169 Ų | 169 | 159.5 Ų | 159.5 | 89% | 0.885 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -103.8 | 5.5 | -179.8 | -70.6 | 174.5 | 0 | 0 | 0 | 116 | ||
| 12 | N | 35.5 | Very low | 36.8 | Very low | 144 Ų | 144 | 155.4 Ų | 155.4 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -115.7 | 41.3 | -176.4 | -116.3 | -32.4 | 0 | 0 | 0 | 113.9 | ||
| 13 | K | 40.1 | Very low | 36.9 | Very low | 187 Ų | 187 | 154.4 Ų | 154.4 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -118.6 | 1.8 | 174.7 | -89.1 | -171.4 | 176.6 | -178.8 | 0 | 115.6 | ||
| 14 | C | 37.7 | Very low | 36.8 | Very low | 120 Ų | 120 | 155 Ų | 155 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -102.5 | -0.9 | -171.5 | -74.2 | 0 | 0 | 0 | 0 | 117.8 | ||
| 15 | F | 32.9 | Very low | 36.2 | Very low | 205 Ų | 205 | 157 Ų | 157 | 90% | 0.899 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -128 | 24 | -178.9 | -98.7 | -86.8 | 0 | 0 | 0 | 115.2 | ||
| 16 | L | 35.3 | Very low | 35.9 | Very low | 156 Ų | 156 | 150.7 Ų | 150.7 | 82% | 0.817 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -105.5 | 18.4 | -177.5 | -95.3 | 161.9 | 0 | 0 | 0 | 114.8 | ||
| 17 | K | 33.3 | Very low | 35.9 | Very low | 212 Ų | 212 | 153.2 Ų | 153.2 | 92% | 0.922 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -134.3 | 11.6 | -172.4 | -91.7 | -171.7 | 178.1 | -175.9 | 0 | 119 | ||
| 18 | S | 33.7 | Very low | 36 | Very low | 92 Ų | 92 | 156.5 Ų | 156.5 | 64% | 0.643 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -121.4 | 129 | 167.5 | 67.8 | 0 | 0 | 0 | 0 | 110.5 | ||
| 19 | Y | 31.1 | Very low | 35.9 | Very low | 228 Ų | 228 | 160 Ų | 160 | 89% | 0.894 | 81% | 0.806 | S | S | * | * | trans | 91.9 | 57.3 | -178.9 | -72.8 | -92.3 | 0 | 0 | 0 | 116.7 | ||||
| 20 | F | 32.6 | Very low | 36 | Very low | 206 Ų | 206 | 161.3 Ų | 161.3 | 90% | 0.904 | 81% | 0.812 | S | S | * | * | trans | -95.9 | 152.6 | 142.4 | -132.2 | -98.4 | 0 | 0 | 0 | 109.4 | ||||
| 21 | S | 29.7 | Very low | 35.9 | Very low | 104 Ų | 104 | 159.5 Ų | 159.5 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | 70 | 93.8 | 174.2 | 70.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 22 | V | 32.1 | Very low | 35.5 | Very low | 138 Ų | 138 | 159.8 Ų | 159.8 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | trans | -141.4 | 132.9 | 130.2 | -177.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 23 | T | 33.3 | Very low | 35.4 | Very low | 125 Ų | 125 | 160 Ų | 160 | 77% | 0.767 | 80% | 0.798 | S | S | * | * | trans | -66.1 | 175 | 178.4 | 40.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 24 | E | 41.9 | Very low | 35.3 | Very low | 180 Ų | 180 | 158.1 Ų | 158.1 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -27.9 | 146.4 | 179.9 | -63.1 | 171.4 | 146.4 | 0 | 0 | 117.3 | ||
| 25 | N | 35.2 | Very low | 35.2 | Very low | 156 Ų | 156 | 159.6 Ų | 159.6 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | 78 | 71 | 173.1 | -61.2 | -39.8 | 0 | 0 | 0 | 118.3 | ||||
| 26 | T | 33.3 | Very low | 35.4 | Very low | 100 Ų | 100 | 155.4 Ų | 155.4 | 61% | 0.613 | 78% | 0.778 | S | S | * | * | trans | -153.5 | 83 | 150.8 | 44.2 | 0 | 0 | 0 | 0 | 112.1 | E28 | T26-E28 PolarHBondContact O-N 3.44Å; T26-E28 VanDerWaalsContact O-N 3.15Å | ||
| 27 | M | 39.7 | Very low | 35.1 | Very low | 192 Ų | 192 | 156.2 Ų | 156.2 | 95% | 0.946 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | 3.7 | 167.4 | -91.7 | -76.2 | -128.1 | 0 | 0 | 113.9 | ||
| 28 | E | 35.4 | Very low | 35 | Very low | 173 Ų | 173 | 154.6 Ų | 154.6 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.7 | -8 | -167.7 | -65.1 | -133.9 | 138.7 | 0 | 0 | 117.5 | T26 | T26-E28 PolarHBondContact O-N 3.44Å; T26-E28 VanDerWaalsContact O-N 3.15Å |
| 29 | R | 36.3 | Very low | 34.8 | Very low | 182 Ų | 182 | 155.8 Ų | 155.8 | 69% | 0.687 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -103.2 | 5.9 | -169.1 | -68.5 | -174.9 | 87.9 | 162.1 | 4.2 | 117.9 | ||
| 30 | I | 41.7 | Very low | 34.7 | Very low | 166 Ų | 166 | 156.8 Ų | 156.8 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -117.7 | 42 | 174.3 | -40.1 | 179.5 | 0 | 0 | 0 | 111.3 | ||
| 31 | I | 41 | Very low | 34.7 | Very low | 115 Ų | 115 | 153.5 Ų | 153.5 | 59% | 0.59 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -129.2 | 74.4 | 157.8 | -48.8 | 174.2 | 0 | 0 | 0 | 105.1 | N33 K151 | I31-N33 PolarHBondContact O-N 3.25Å; I31-N33 VanDerWaalsContact O-N 3.15Å; I31-K151 VanDerWaalsContact CD1-NZ 3.28Å |
| 32 | F | 33.4 | Very low | 34.6 | Very low | 175 Ų | 175 | 151.7 Ų | 151.7 | 77% | 0.768 | 78% | 0.776 | S | S | * | * | trans | -70.1 | 117.1 | 174.1 | -107.3 | -86.5 | 0 | 0 | 0 | 109.3 | H34 | F32-H34 PolarHBondContact O-N 3.15Š| ||
| 33 | N | 34.6 | Very low | 34.5 | Very low | 149 Ų | 149 | 153.3 Ų | 153.3 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -26.9 | 125.6 | 142.7 | -80 | -24.6 | 0 | 0 | 0 | 110.7 | I31 | I31-N33 PolarHBondContact O-N 3.25Å; I31-N33 VanDerWaalsContact O-N 3.15Å | ||
| 34 | H | 37.2 | Very low | 34.2 | Very low | 147 Ų | 147 | 155.3 Ų | 155.3 | 68% | 0.681 | 78% | 0.78 | S | S | * | * | trans | -129.4 | 101.4 | 146.7 | -160.9 | -58.8 | 0 | 0 | 0 | 106.9 | F32 I36 | F32-H34 PolarHBondContact O-N 3.15Å; H34-I36 VanDerWaalsContact C-N 3.26Å; H34-I36 HydrophobicContact CB-CG1 4.43Å; H34-I36 VanDerWaalsContact CE1-CG1 3.45Å; H34-I36 WeakPolarHBondContact CE1-CG1 2.97Å; H34-I36 WeakPolarHBondContact ND1-CG1 3.45Å; H34-I36 PolarHBondContact ND1-N 3.49Å; H34-I36 PolarHBondContact O-N 2.97Å | ||
| 35 | D | 35.7 | Very low | 33.6 | Very low | 150 Ų | 150 | 154.5 Ų | 154.5 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | trans | -50.5 | 93.2 | 150.9 | -129 | -44.2 | 0 | 0 | 0 | 107.3 | ||||
| 36 | I | 35.9 | Very low | 33.4 | Very low | 118 Ų | 118 | 154.1 Ų | 154.1 | 61% | 0.605 | 77% | 0.774 | S | S | * | * | trans | -95.5 | 97.1 | 162.6 | -64.3 | -172.8 | 0 | 0 | 0 | 105.1 | H34 Q38 | H34-I36 VanDerWaalsContact C-N 3.26Å; H34-I36 HydrophobicContact CB-CG1 4.43Å; H34-I36 VanDerWaalsContact CE1-CG1 3.45Å; H34-I36 WeakPolarHBondContact CE1-CG1 2.97Å; H34-I36 WeakPolarHBondContact ND1-CG1 3.45Å; H34-I36 PolarHBondContact ND1-N 3.49Å; H34-I36 PolarHBondContact O-N 2.97Å; I36-Q38 PolarHBondContact O-N 2.84Å; I36-Q38 VanDerWaalsContact O-N 3.15Å | ||
| 37 | Q | 30.2 | Very low | 33.2 | Very low | 172 Ų | 172 | 158.8 Ų | 158.8 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -35.8 | 116.6 | 150.5 | -71.1 | 177.8 | -30.3 | 0 | 0 | 108.8 | ||||
| 38 | Q | 30.3 | Very low | 32.7 | Very low | 178 Ų | 178 | 156.3 Ų | 156.3 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | -62.9 | 134.9 | 165.8 | -64.2 | -167.7 | 13.1 | 0 | 0 | 108.3 | I36 R40 | I36-Q38 PolarHBondContact O-N 2.84Å; I36-Q38 VanDerWaalsContact O-N 3.15Å; Q38-R40 PolarHBondContact O-N 3.37Å | ||
| 39 | P | 29.1 | Very low | 32.4 | Very low | 117 Ų | 117 | 154.9 Ų | 154.9 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | trans | -64.5 | 133.7 | 176.4 | 24.2 | -30.8 | 0 | 0 | 0 | 110.6 | T41 | P39-T41 PolarHBondContact O-N 3.48Š| ||
| 40 | R | 30.5 | Very low | 31.9 | Very low | 249 Ų | 249 | 149 Ų | 149 | 94% | 0.94 | 78% | 0.777 | S | S | * | * | trans | -57.7 | 115.1 | 167.5 | -70 | 174.1 | 173.2 | 153.3 | -3.1 | 109.1 | Q38 | Q38-R40 PolarHBondContact O-N 3.37Š| ||
| 41 | T | 32.8 | Very low | 31.3 | Very low | 138 Ų | 138 | 153.4 Ų | 153.4 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | trans | -99.8 | 114.1 | 149.4 | 47.6 | 0 | 0 | 0 | 0 | 106.9 | P39 | P39-T41 PolarHBondContact O-N 3.48Š| ||
| 42 | G | 27.6 | Very low | 30.6 | Very low | 66 Ų | 66 | 151.1 Ų | 151.1 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | trans | -63.4 | 138 | 179 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 43 | N | 29.5 | Very low | 30.4 | Very low | 171 Ų | 171 | 149.3 Ų | 149.3 | 91% | 0.914 | 79% | 0.791 | S | S | * | * | trans | -136.7 | 120.2 | 143.2 | -84.1 | -30 | 0 | 0 | 0 | 107 | ||||
| 44 | H | 27.5 | Very low | 30 | Very low | 168 Ų | 168 | 148.4 Ų | 148.4 | 78% | 0.778 | 79% | 0.791 | S | S | * | * | trans | -71 | 122.4 | -178.4 | 174.7 | -91.4 | 0 | 0 | 0 | 110.4 | ||||
| 45 | L | 28.9 | Very low | 29.7 | Very low | 162 Ų | 162 | 147.5 Ų | 147.5 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | trans | -159.7 | 119.4 | 137.2 | -135.8 | 79.7 | 0 | 0 | 0 | 109.2 | ||||
| 46 | E | 30 | Very low | 29.3 | Very low | 149 Ų | 149 | 148.6 Ų | 148.6 | 70% | 0.696 | 80% | 0.796 | S | S | * | * | trans | -65.9 | 143.3 | 175.3 | -62.6 | -156.3 | 129 | 0 | 0 | 112.2 | ||||
| 47 | Q | 30.4 | Very low | 28.9 | Very low | 198 Ų | 198 | 149.1 Ų | 149.1 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | trans | -156.5 | 129.1 | 132 | -120.5 | 171.8 | -0.9 | 0 | 0 | 111.4 | ||||
| 48 | I | 28.3 | Very low | 28.9 | Very low | 140 Ų | 140 | 151.3 Ų | 151.3 | 72% | 0.718 | 81% | 0.805 | S | S | * | * | trans | -84.4 | 138.6 | -179 | -61.5 | 161.8 | 0 | 0 | 0 | 108.7 | ||||
| 49 | V | 29.7 | Very low | 29 | Very low | 142 Ų | 142 | 148.3 Ų | 148.3 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | -179.4 | 127.7 | 128.1 | 165.8 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 50 | G | 25.8 | Very low | 29.1 | Very low | 60 Ų | 60 | 148.5 Ų | 148.5 | 62% | 0.619 | 80% | 0.8 | S | S | * | * | trans | -105.3 | -170.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 51 | R | 29.7 | Very low | 29.2 | Very low | 258 Ų | 258 | 143 Ų | 143 | 97% | 0.974 | 79% | 0.793 | S | S | * | * | trans | 82.5 | 121.4 | 177.2 | -55.9 | 175.7 | 172.2 | 176.7 | -2.9 | 112.7 | ||||
| 52 | G | 25.9 | Very low | 29 | Very low | 67 Ų | 67 | 142.1 Ų | 142.1 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | cis | 109 | 109 | 22.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 53 | T | 28.9 | Very low | 29.2 | Very low | 137 Ų | 137 | 144.5 Ų | 144.5 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | trans | 173.5 | 123.6 | 152.6 | 32.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 54 | T | 25.8 | Very low | 29.2 | Very low | 130 Ų | 130 | 143.4 Ų | 143.4 | 80% | 0.798 | 80% | 0.799 | S | S | * | * | trans | 33.4 | 124.3 | 138 | 51.5 | 0 | 0 | 0 | 0 | 124 | ||||
| 55 | V | 31.1 | Very low | 29.2 | Very low | 127 Ų | 127 | 139.2 Ų | 139.2 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | trans | -12.4 | 136.3 | 148.4 | -169.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 56 | E | 27.3 | Very low | 29.2 | Very low | 174 Ų | 174 | 137.5 Ų | 137.5 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | -150.3 | 123.5 | 131.7 | -75.4 | -143 | 161.7 | 0 | 0 | 110.9 | ||||
| 57 | V | 28.2 | Very low | 29.1 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | trans | -100.4 | 113.9 | 170.6 | 174 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 58 | R | 28.6 | Very low | 29.1 | Very low | 219 Ų | 219 | 131.9 Ų | 131.9 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | -96.4 | 113.3 | 177.6 | -170.8 | 172.4 | -71.5 | 171.4 | -1.3 | 110.3 | ||||
| 59 | V | 32.6 | Very low | 29.1 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 70% | 0.697 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -91 | 132.6 | 168.6 | -164 | 0 | 0 | 0 | 0 | 108.1 | ||
| 60 | P | 32.2 | Very low | 29 | Very low | 121 Ų | 121 | 131.6 Ų | 131.6 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 118 | 164.7 | -7.5 | 25 | 0 | 0 | 0 | 110.4 | ||
| 61 | V | 32.2 | Very low | 29.1 | Very low | 132 Ų | 132 | 134.2 Ų | 134.2 | 80% | 0.8 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 142.1 | 166.4 | -78.1 | 0 | 0 | 0 | 0 | 110.7 | ||
| 62 | S | 28.5 | Very low | 29.1 | Very low | 121 Ų | 121 | 129.5 Ų | 129.5 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 135.6 | 166.6 | 47.2 | 0 | 0 | 0 | 0 | 111 | ||
| 63 | S | 31.7 | Very low | 29.2 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -135.2 | 125.1 | 163.3 | 50.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 64 | T | 29.6 | Very low | 29.3 | Very low | 148 Ų | 148 | 137.6 Ų | 137.6 | 91% | 0.908 | 81% | 0.81 | S | S | * | * | trans | -55.5 | 147.6 | 169.2 | 46.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 65 | G | 28.2 | Very low | 29.3 | Very low | 81 Ų | 81 | 135.9 Ų | 135.9 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | -165.2 | 106.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 66 | S | 28.8 | Very low | 29.2 | Very low | 125 Ų | 125 | 141.6 Ų | 141.6 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | -99.4 | 152.3 | -179.8 | 47.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 67 | G | 28.1 | Very low | 29.4 | Very low | 71 Ų | 71 | 138.6 Ų | 138.6 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | trans | 97.5 | 140.5 | 159.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 68 | D | 28.8 | Very low | 29.8 | Very low | 158 Ų | 158 | 141.9 Ų | 141.9 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | cis | -172.5 | 166.2 | -11.6 | -126.6 | -21.2 | 0 | 0 | 0 | 107.7 | ||||
| 69 | Q | 29.9 | Very low | 29.8 | Very low | 196 Ų | 196 | 140.7 Ų | 140.7 | 92% | 0.916 | 82% | 0.82 | S | S | * | * | trans | 105.6 | 125.1 | 160 | -58 | -178.2 | 60.4 | 0 | 0 | 119.3 | ||||
| 70 | G | 27.2 | Very low | 30.2 | Very low | 80 Ų | 80 | 138.7 Ų | 138.7 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | trans | 153.3 | 63.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 71 | S | 28.2 | Very low | 31 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -67.8 | 131 | 169 | 44.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 72 | E | 28.5 | Very low | 31.6 | Very low | 159 Ų | 159 | 142.5 Ų | 142.5 | 74% | 0.743 | 83% | 0.828 | S | S | * | * | trans | -134.6 | 125.4 | 150.3 | -160.4 | 176.2 | 159.6 | 0 | 0 | 110.1 | R74 | E72-R74 IonicContact OE1-NE 3.58Å; E72-R74 IonicContact OE1-NH2 3.7Å | ||
| 73 | I | 29.1 | Very low | 31.6 | Very low | 152 Ų | 152 | 140.3 Ų | 140.3 | 78% | 0.779 | 82% | 0.824 | S | S | * | * | trans | -101.9 | 124.8 | -174.1 | -42.5 | 164.5 | 0 | 0 | 0 | 105.5 | ||||
| 74 | R | 30.6 | Very low | 31.8 | Very low | 222 Ų | 222 | 144.8 Ų | 144.8 | 84% | 0.838 | 83% | 0.829 | S | S | * | * | trans | -131.1 | 109.2 | 159.2 | -73.2 | -167.7 | -176.4 | -155.3 | 0.7 | 110.3 | E72 | E72-R74 IonicContact OE1-NE 3.58Å; E72-R74 IonicContact OE1-NH2 3.7Å | ||
| 75 | S | 26.4 | Very low | 32.3 | Very low | 94 Ų | 94 | 143.6 Ų | 143.6 | 66% | 0.657 | 83% | 0.825 | S | S | * | * | trans | -65.8 | 145 | 166.6 | 177.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 76 | W | 28.8 | Very low | 33 | Very low | 248 Ų | 248 | 144.1 Ų | 144.1 | 94% | 0.939 | 82% | 0.821 | S | S | * | * | -158.8 | 121.1 | 125.7 | -85.6 | -28.6 | 0 | 0 | 0 | 112.6 | |||||
| 77 | S | 31.9 | Very low | 33.7 | Very low | 110 Ų | 110 | 144.9 Ų | 144.9 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | 52.8 | 133.9 | 126.2 | -52.1 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 78 | K | 35.6 | Very low | 34.4 | Very low | 197 Ų | 197 | 150.2 Ų | 150.2 | 86% | 0.857 | 83% | 0.831 | S | S | * | * | trans | -72.6 | 173.7 | 179.7 | -127.3 | 171.8 | -177.4 | 177.7 | 0 | 114 | ||||
| 79 | M | 29.3 | Very low | 34.7 | Very low | 194 Ų | 194 | 146.9 Ų | 146.9 | 96% | 0.956 | 83% | 0.826 | S | S | * | * | trans | 96.4 | 134 | 166.6 | -50.4 | 176.7 | -154.1 | 0 | 0 | 113.1 | ||||
| 80 | G | 39.8 | Very low | 35.2 | Very low | 73 Ų | 73 | 143.3 Ų | 143.3 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | cis | 171.3 | 171.9 | 7.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 81 | P | 48.8 | Very low | 35.9 | Very low | 116 Ų | 116 | 146.3 Ų | 146.3 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | trans | -94.7 | 156.9 | -161.4 | 36.4 | -32.8 | 0 | 0 | 0 | 115.2 | ||||
| 82 | F | 45 | Very low | 36.5 | Very low | 218 Ų | 218 | 146 Ų | 146 | 96% | 0.956 | 82% | 0.822 | S | S | * | * | trans | 82.2 | 126.6 | 172.6 | -68 | -84.6 | 0 | 0 | 0 | 119.7 | ||||
| 83 | G | 29.9 | Very low | 37.4 | Very low | 74 Ų | 74 | 150 Ų | 150 | 76% | 0.763 | 83% | 0.83 | S | S | * | * | trans | 149.6 | 99.5 | 160.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 84 | F | 35.8 | Very low | 38.2 | Very low | 209 Ų | 209 | 147.1 Ų | 147.1 | 92% | 0.917 | 83% | 0.829 | S | S | * | * | trans | -68.2 | 158.1 | 163.6 | -78.4 | -87.5 | 0 | 0 | 0 | 110.5 | ||||
| 85 | P | 40.1 | Very low | 39.1 | Very low | 124 Ų | 124 | 146.5 Ų | 146.5 | 81% | 0.805 | 83% | 0.833 | S | S | * | * | -143.1 | 159.4 | 106 | 32.7 | -15.6 | 0 | 0 | 0 | 115.4 | |||||
| 86 | A | 43.1 | Very low | 39.9 | Very low | 92 Ų | 92 | 146.5 Ų | 146.5 | 76% | 0.76 | 84% | 0.838 | S | S | * | * | trans | -69.9 | 145.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 87 | T | 42.1 | Very low | 40.7 | Very low | 140 Ų | 140 | 145.4 Ų | 145.4 | 86% | 0.859 | 83% | 0.834 | S | S | * | * | trans | -149.8 | 129.4 | 145.7 | 30.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 88 | L | 44.3 | Very low | 41.1 | Very low | 184 Ų | 184 | 145.5 Ų | 145.5 | 96% | 0.963 | 83% | 0.832 | S | S | * | * | trans | -74.9 | 119.6 | 167.3 | -71.4 | 162.8 | 0 | 0 | 0 | 108.2 | ||||
| 89 | A | 34.9 | Very low | 41.2 | Very low | 88 Ų | 88 | 147 Ų | 147 | 73% | 0.727 | 83% | 0.832 | S | S | * | * | trans | -129 | 104.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | V91 | A89-V91 PolarHBondContact O-N 3.01Š| ||
| 90 | S | 39.3 | Very low | 41.9 | Very low | 121 Ų | 121 | 142.1 Ų | 142.1 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 116.2 | 169.5 | 42.5 | 0 | 0 | 0 | 0 | 111.8 | ||
| 91 | V | 41.9 | Very low | 42.4 | Very low | 142 Ų | 142 | 144.4 Ų | 144.4 | 86% | 0.861 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -97 | 123.2 | 165.2 | -177.1 | 0 | 0 | 0 | 0 | 109.3 | A89 | A89-V91 PolarHBondContact O-N 3.01Š|
| 92 | S | 40.2 | Very low | 42.7 | Very low | 109 Ų | 109 | 143.5 Ų | 143.5 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 135.5 | -177.2 | -39.2 | 0 | 0 | 0 | 0 | 113.9 | A94 | S92-A94 PolarHBondContact O-N 3.43Š|
| 93 | R | 47.9 | Very low | 42.7 | Very low | 243 Ų | 243 | 139.1 Ų | 139.1 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | trans | -67.3 | 95.4 | 175 | -170.2 | 178.5 | -75.1 | 174.6 | -3.3 | 109.9 | K95 | R93-K95 PolarHBondContact O-N 3.15Š| ||
| 94 | A | 45.5 | Very low | 43.8 | Very low | 92 Ų | 92 | 140.7 Ų | 140.7 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | trans | -60.5 | 124.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | S92 A96 | S92-A94 PolarHBondContact O-N 3.43Å; A94-A96 PolarHBondContact O-N 3.3Å; A94-A96 VanDerWaalsContact O-N 3.1Å | ||
| 95 | K | 49.9 | Very low | 45 | Very low | 208 Ų | 208 | 132.7 Ų | 132.7 | 90% | 0.904 | 78% | 0.778 | S | S | * | * | trans | -49.2 | 119.8 | 177.9 | -79.6 | 174.5 | 176.8 | 175.2 | 0 | 109.2 | R93 R97 | R93-K95 PolarHBondContact O-N 3.15Å; K95-R97 PolarHBondContact O-N 3.14Å | ||
| 96 | A | 44.4 | Very low | 46.4 | Very low | 94 Ų | 94 | 132.1 Ų | 132.1 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | trans | -56 | 114.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | A94 | A94-A96 PolarHBondContact O-N 3.3Å; A94-A96 VanDerWaalsContact O-N 3.1Å | ||
| 97 | R | 44.2 | Very low | 48.2 | Very low | 225 Ų | 225 | 131.2 Ų | 131.2 | 85% | 0.849 | 75% | 0.747 | S | S | * | * | trans | -60 | 128.8 | 158.2 | -142.5 | 172.4 | -170.7 | -97.9 | 3 | 105.5 | K95 R99 | K95-R97 PolarHBondContact O-N 3.14Å; R97-R99 PolarHBondContact O-N 2.82Å | ||
| 98 | P | 40.8 | Very low | 50.2 | Low | 113 Ų | 113 | 126.6 Ų | 126.6 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | trans | -57.1 | 122.4 | 175.7 | 22.1 | -30.2 | 0 | 0 | 0 | 107.6 | S100 | P98-S100 PolarHBondContact O-N 3.29Š| ||
| 99 | R | 37.3 | Very low | 52.1 | Low | 227 Ų | 227 | 117.9 Ų | 117.9 | 86% | 0.857 | 68% | 0.682 | S | S | * | * | trans | -71 | 83.4 | 170.3 | -174.5 | -178.7 | -105.1 | -142.8 | -3 | 106.2 | R97 T101 | R97-R99 PolarHBondContact O-N 2.82Å; R99-T101 HydrophobicContact CG-CG2 4.09Å; R99-T101 PolarHBondContact O-N 3.22Å; R99-T101 VanDerWaalsContact O-N 3.16Å | ||
| 100 | S | 45.6 | Very low | 54.4 | Low | 93 Ų | 93 | 118.2 Ų | 118.2 | 65% | 0.65 | 68% | 0.679 | S | S | * | * | trans | -59.3 | 112.1 | 150.2 | 49.3 | 0 | 0 | 0 | 0 | 105.6 | P98 P102 | P98-S100 PolarHBondContact O-N 3.29Å; S100-P102 WeakPolarHBondContact O-CD 3.19Å | ||
| 101 | T | 49.5 | Very low | 56.5 | Low | 120 Ų | 120 | 118 Ų | 118 | 74% | 0.736 | 67% | 0.668 | S | S | * | * | trans | -80.6 | 103.7 | 158.7 | 50.1 | 0 | 0 | 0 | 0 | 107.1 | R99 | R99-T101 HydrophobicContact CG-CG2 4.09Å; R99-T101 PolarHBondContact O-N 3.22Å; R99-T101 VanDerWaalsContact O-N 3.16Å | ||
| 102 | P | 54.2 | Low | 58.6 | Low | 98 Ų | 98 | 113.5 Ų | 113.5 | 64% | 0.636 | 64% | 0.642 | S | S | * | * | trans | -125.9 | 138.9 | 137.9 | 38.8 | -28.4 | 0 | 0 | 0 | 106.4 | S100 | S100-P102 WeakPolarHBondContact O-CD 3.19Š| ||
| 103 | V | 46.1 | Very low | 60.7 | Low | 125 Ų | 125 | 115.6 Ų | 115.6 | 76% | 0.758 | 64% | 0.639 | S | S | * | * | -168.6 | 119.4 | 60.7 | 168.4 | 0 | 0 | 0 | 0 | 106.5 | |||||
| 104 | S | 52.6 | Low | 62.4 | Low | 107 Ų | 107 | 110 Ų | 110 | 75% | 0.748 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -105.9 | 121.2 | 143.4 | -66.4 | 0 | 0 | 0 | 0 | 104.1 | D106 | S104-D106 PolarHBondContact O-N 3.24Š|
| 105 | G | 60.7 | Low | 64.3 | Low | 41 Ų | 41 | 111 Ų | 111 | 42% | 0.423 | 61% | 0.613 | S | S | . | * | trans | -60.2 | 91.3 | -168.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F107 | G105-F107 WeakPolarHBondContact O-CD2 3.25Å; G105-F107 WeakPolarHBondContact O-CE2 3.3Å | ||
| 106 | D | 69.7 | Low | 65.9 | Low | 113 Ų | 113 | 102.8 Ų | 102.8 | 60% | 0.604 | 58% | 0.577 | S | S | * | * | trans | -82.3 | 119.5 | 172.9 | -80.1 | -21.8 | 0 | 0 | 0 | 109 | S104 G108 I115 | S104-D106 PolarHBondContact O-N 3.24Å; D106-G108 PolarHBondContact O-N 3.48Å; D106-I115 HydrophobicContact CB-CG2 3.66Å | ||
| 107 | F | 81.1 | Confident | 67.6 | Low | 73 Ų | 73 | 102.7 Ų | 102.7 | 32% | 0.32 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.7 | 95.7 | -176.6 | -62.9 | -76.6 | 0 | 0 | 0 | 109.1 | G105 F116 L118 Q119 L122 | G105-F107 WeakPolarHBondContact O-CD2 3.25Å; G105-F107 WeakPolarHBondContact O-CE2 3.3Å; F107-F116 PolarHBondContact N-O 3.27Å; F107-F116 PolarHBondContact O-N 3.35Å; F107-L118 VanDerWaalsContact CD2-C 3.47Å; F107-Q119 HydrophobicContact CD1-CB 3.94Å; F107-Q119 HydrophobicContact CD1-CG 4.26Å; F107-Q119 HydrophobicContact CD2-CB 3.96Å; F107-Q119 HydrophobicContact CE1-CB 3.76Å; F107-Q119 HydrophobicContact CE1-CG 4.14Å; F107-Q119 HydrophobicContact CE2-CB 3.8Å; F107-Q119 HydrophobicContact CG-CB 4Å; F107-Q119 VanDerWaalsContact CG-OE1 3.23Å; F107-Q119 HydrophobicContact CZ-CB 3.69Å; F107-L122 HydrophobicContact CB-CB 3.82Å; F107-L122 HydrophobicContact CB-CD2 3.7Å; F107-L122 HydrophobicContact CB-CG 4.35Å |
| 108 | G | 82.9 | Confident | 69.5 | Low | 42 Ų | 42 | 95.5 Ų | 95.5 | 43% | 0.433 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 140.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D106 K114 L122 | D106-G108 PolarHBondContact O-N 3.48Å; G108-K114 CarbonylContact C-O 2.88Å; G108-K114 WeakPolarHBondContact CA-O 3.41Å; G108-L122 WeakPolarHBondContact O-CD2 3.33Å |
| 109 | C | 85.4 | Confident | 71.6 | Confident | 2 Ų | 2 | 94.6 Ų | 94.6 | 1% | 0.014 | 53% | 0.532 | C | S | . | . | trans | -79.6 | 123.9 | 168.9 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | L111 C112 H113 K114 F116 L122 H125 H129 | C109-L111 PolarHBondContact O-N 3.17Å; C109-L111 PolarHBondContact SG-N 3.45Å; C109-C112 VanDerWaalsContact SG-SG 3.67Å; C109-H113 WeakPolarHBondContact O-CA 3.34Å; C109-H113 PolarHBondContact O-N 3.06Å; C109-K114 PolarHBondContact N-O 3.43Å; C109-F116 HydrophobicContact CB-CE2 4.45Å; C109-L122 HydrophobicContact CB-CD1 3.73Å; C109-H125 VanDerWaalsContact SG-CD2 3.55Å; C109-H125 PolarHBondContact SG-NE2 3Å; C109-H125 VanDerWaalsContact SG-NE2 3.39Å; C109-H129 PolarHBondContact SG-NE2 2.81Å | ||
| 110 | S | 83 | Confident | 73.7 | Confident | 95 Ų | 95 | 92 Ų | 92 | 66% | 0.664 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -18.1 | 177.5 | 50.9 | 0 | 0 | 0 | 0 | 114.6 | ||
| 111 | L | 83.8 | Confident | 75.4 | Confident | 117 Ų | 117 | 89.8 Ų | 89.8 | 61% | 0.613 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -26 | -175.3 | -62.1 | 173.7 | 0 | 0 | 0 | 113.8 | C109 H129 | C109-L111 PolarHBondContact O-N 3.17Å; C109-L111 PolarHBondContact SG-N 3.45Å; L111-H129 HydrophobicContact CD1-CB 3.41Å; L111-H129 VanDerWaalsContact CD1-CB 3.41Å; L111-H129 VanDerWaalsContact CD1-CG 3.45Å |
| 112 | C | 86.1 | Confident | 77 | Confident | 47 Ų | 47 | 84.8 Ų | 84.8 | 32% | 0.318 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.2 | 7.2 | -178.6 | 72.1 | 0 | 0 | 0 | 0 | 113.9 | C109 K114 H125 | C109-C112 VanDerWaalsContact SG-SG 3.67Å; C112-K114 PolarHBondContact O-N 2.84Å; C112-H125 VanDerWaalsContact SG-CE1 3.6Å; C112-H125 PolarHBondContact SG-NE2 3.3Å |
| 113 | H | 83.4 | Confident | 78.3 | Confident | 152 Ų | 152 | 83.5 Ų | 83.5 | 70% | 0.704 | 46% | 0.462 | S | S | * | . | trans | 54.6 | 17.2 | 178 | -55.8 | -65.4 | 0 | 0 | 0 | 115.7 | C109 I115 | C109-H113 WeakPolarHBondContact O-CA 3.34Å; C109-H113 PolarHBondContact O-N 3.06Å; H113-I115 PolarHBondContact O-N 3.09Å | ||
| 114 | K | 84.6 | Confident | 79.9 | Confident | 126 Ų | 126 | 83.3 Ų | 83.3 | 55% | 0.548 | 45% | 0.447 | S | S | . | . | trans | -69.8 | 130.3 | 172.4 | -71.5 | -172.1 | -178 | -162.5 | 0 | 110.4 | G108 C109 C112 F116 | G108-K114 CarbonylContact C-O 2.88Å; G108-K114 WeakPolarHBondContact CA-O 3.41Å; C109-K114 PolarHBondContact N-O 3.43Å; C112-K114 PolarHBondContact O-N 2.84Å; K114-F116 HydrophobicContact CB-CE2 3.73Å; K114-F116 HydrophobicContact CB-CZ 3.91Å; K114-F116 WeakPolarHBondContact O-CD2 3.28Å; K114-F116 WeakPolarHBondContact O-CE2 3.17Å | ||
| 115 | I | 83.9 | Confident | 81.3 | Confident | 113 Ų | 113 | 79.6 Ų | 79.6 | 58% | 0.579 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 133.8 | 180 | -56.9 | 173.2 | 0 | 0 | 0 | 109.2 | D106 H113 | D106-I115 HydrophobicContact CB-CG2 3.66Å; H113-I115 PolarHBondContact O-N 3.09Å |
| 116 | F | 83.7 | Confident | 82.2 | Confident | 35 Ų | 35 | 81 Ų | 81 | 15% | 0.154 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 140.6 | 177.8 | -62.6 | -85.3 | 0 | 0 | 0 | 110.9 | F107 C109 K114 L118 M121 L122 H125 | F107-F116 PolarHBondContact N-O 3.27Å; F107-F116 PolarHBondContact O-N 3.35Å; C109-F116 HydrophobicContact CB-CE2 4.45Å; K114-F116 HydrophobicContact CB-CE2 3.73Å; K114-F116 HydrophobicContact CB-CZ 3.91Å; K114-F116 WeakPolarHBondContact O-CD2 3.28Å; K114-F116 WeakPolarHBondContact O-CE2 3.17Å; F116-L118 PolarHBondContact O-N 3.15Å; F116-M121 HydrophobicContact CB-CB 4.07Å; F116-M121 HydrophobicContact CD1-CB 3.96Å; F116-M121 HydrophobicContact CG-CB 4.25Å; F116-L122 HydrophobicContact CB-CB 4.34Å; F116-L122 HydrophobicContact CD2-CB 4.06Å; F116-L122 HydrophobicContact CD2-CD1 3.89Å; F116-L122 HydrophobicContact CE2-CD1 4.17Å; F116-L122 HydrophobicContact CG-CB 4.44Å; F116-H125 HydrophobicContact CE1-CB 4.14Å; F116-H125 HydrophobicContact CE2-CB 3.73Å; F116-H125 AromaticContact CE2-CD2 3.51Å; F116-H125 AromaticContact CE2-CG 3.47Å; F116-H125 VanDerWaalsContact CE2-CG 3.47Å; F116-H125 HydrophobicContact CZ-CB 3.52Å; F116-H125 AromaticContact CZ-CD2 3.78Å; F116-H125 AromaticContact CZ-CG 3.28Å; F116-H125 AromaticContact CZ-ND1 3.55Å |
| 117 | P | 80.1 | Confident | 82.6 | Confident | 92 Ų | 92 | 79 Ų | 79 | 60% | 0.597 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -73.5 | -11.6 | -178.8 | 30.2 | -36.2 | 0 | 0 | 0 | 113.3 | M121 | P117-M121 HydrophobicContact CG-SD 4.07Š|
| 118 | L | 85.4 | Confident | 82.3 | Confident | 74 Ų | 74 | 79.6 Ų | 79.6 | 39% | 0.387 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -141.5 | 137.8 | -176.4 | -65.7 | 171 | 0 | 0 | 0 | 110.7 | F107 F116 R120 M121 L122 | F107-L118 VanDerWaalsContact CD2-C 3.47Å; F116-L118 PolarHBondContact O-N 3.15Å; L118-R120 VanDerWaalsContact C-N 3.29Å; L118-R120 HydrophobicContact CB-CG 4.11Å; L118-R120 PolarHBondContact O-N 3.35Å; L118-M121 HydrophobicContact CB-CG 4.1Å; L118-M121 HydrophobicContact CB-SD 4.23Å; L118-M121 HydrophobicContact CD1-SD 4.2Å; L118-M121 WeakPolarHBondContact O-CB 3.36Å; L118-M121 PolarHBondContact O-N 2.98Å; L118-L122 PolarHBondContact O-N 3.3Å |
| 119 | Q | 84.4 | Confident | 81.9 | Confident | 94 Ų | 94 | 80.9 Ų | 80.9 | 44% | 0.439 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -56.7 | -42.1 | 179.7 | -178.7 | 61.2 | -15.6 | 0 | 0 | 112.3 | F107 M121 L122 T123 | F107-Q119 HydrophobicContact CD1-CB 3.94Å; F107-Q119 HydrophobicContact CD1-CG 4.26Å; F107-Q119 HydrophobicContact CD2-CB 3.96Å; F107-Q119 HydrophobicContact CE1-CB 3.76Å; F107-Q119 HydrophobicContact CE1-CG 4.14Å; F107-Q119 HydrophobicContact CE2-CB 3.8Å; F107-Q119 HydrophobicContact CG-CB 4Å; F107-Q119 VanDerWaalsContact CG-OE1 3.23Å; F107-Q119 HydrophobicContact CZ-CB 3.69Å; Q119-M121 PolarHBondContact O-N 3.42Å; Q119-M121 VanDerWaalsContact O-N 3.11Å; Q119-L122 WeakPolarHBondContact O-CB 3.44Å; Q119-L122 PolarHBondContact O-N 3.03Å; Q119-T123 PolarHBondContact O-N 2.86Å; Q119-T123 PolarHBondContact O-OG1 3.37Å |
| 120 | R | 81.1 | Confident | 81 | Confident | 172 Ų | 172 | 83 Ų | 83 | 65% | 0.649 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -56.1 | -31 | 176.4 | 70.5 | -179.3 | 175.2 | 85.7 | 2.4 | 113.3 | L118 R124 | L118-R120 VanDerWaalsContact C-N 3.29Å; L118-R120 HydrophobicContact CB-CG 4.11Å; L118-R120 PolarHBondContact O-N 3.35Å; R120-R124 WeakPolarHBondContact O-CB 3.48Å; R120-R124 PolarHBondContact O-N 2.83Å; R120-R124 VanDerWaalsContact O-N 3.1Å |
| 121 | M | 81.9 | Confident | 80.1 | Confident | 48 Ų | 48 | 86.5 Ų | 86.5 | 24% | 0.236 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -77.7 | -39.7 | 179.2 | -63.5 | -178.9 | 75.1 | 0 | 0 | 110.8 | F116 P117 L118 Q119 R124 H125 | F116-M121 HydrophobicContact CB-CB 4.07Å; F116-M121 HydrophobicContact CD1-CB 3.96Å; F116-M121 HydrophobicContact CG-CB 4.25Å; P117-M121 HydrophobicContact CG-SD 4.07Å; L118-M121 HydrophobicContact CB-CG 4.1Å; L118-M121 HydrophobicContact CB-SD 4.23Å; L118-M121 HydrophobicContact CD1-SD 4.2Å; L118-M121 WeakPolarHBondContact O-CB 3.36Å; L118-M121 PolarHBondContact O-N 2.98Å; Q119-M121 PolarHBondContact O-N 3.42Å; Q119-M121 VanDerWaalsContact O-N 3.11Å; M121-R124 PolarHBondContact O-N 2.92Å; M121-H125 VanDerWaalsContact O-CB 3.28Å; M121-H125 WeakPolarHBondContact O-CB 3.22Å; M121-H125 PolarHBondContact O-N 3.39Å |
| 122 | L | 82.7 | Confident | 79.1 | Confident | 15 Ų | 15 | 85.9 Ų | 85.9 | 8% | 0.079 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -61.4 | -48.7 | 170.4 | 175.6 | 62.5 | 0 | 0 | 0 | 110.9 | F107 G108 C109 F116 L118 Q119 R124 H125 L126 | F107-L122 HydrophobicContact CB-CB 3.82Å; F107-L122 HydrophobicContact CB-CD2 3.7Å; F107-L122 HydrophobicContact CB-CG 4.35Å; G108-L122 WeakPolarHBondContact O-CD2 3.33Å; C109-L122 HydrophobicContact CB-CD1 3.73Å; F116-L122 HydrophobicContact CB-CB 4.34Å; F116-L122 HydrophobicContact CD2-CB 4.06Å; F116-L122 HydrophobicContact CD2-CD1 3.89Å; F116-L122 HydrophobicContact CE2-CD1 4.17Å; F116-L122 HydrophobicContact CG-CB 4.44Å; L118-L122 PolarHBondContact O-N 3.3Å; Q119-L122 WeakPolarHBondContact O-CB 3.44Å; Q119-L122 PolarHBondContact O-N 3.03Å; L122-R124 VanDerWaalsContact C-N 3.29Å; L122-R124 PolarHBondContact O-N 3.46Å; L122-H125 CarbonylContact O-C 3.37Å; L122-H125 WeakPolarHBondContact O-CA 3.38Å; L122-H125 WeakPolarHBondContact O-CB 3.44Å; L122-H125 PolarHBondContact O-N 3.27Å; L122-L126 HydrophobicContact CD1-CD2 4.4Å; L122-L126 HydrophobicContact CD1-CG 4.16Å; L122-L126 HydrophobicContact CG-CD1 4.29Å; L122-L126 HydrophobicContact CG-CG 4.38Å; L122-L126 WeakPolarHBondContact O-CG 3.4Å; L122-L126 PolarHBondContact O-N 3.1Å |
| 123 | T | 82.2 | Confident | 78.2 | Confident | 70 Ų | 70 | 89.1 Ų | 89.1 | 43% | 0.429 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -57.5 | -42 | 178.1 | -50.5 | 0 | 0 | 0 | 0 | 111.9 | Q119 | Q119-T123 PolarHBondContact O-N 2.86Å; Q119-T123 PolarHBondContact O-OG1 3.37Å |
| 124 | R | 79.1 | Confident | 77.7 | Confident | 121 Ų | 121 | 90.6 Ų | 90.6 | 46% | 0.457 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 173.3 | -178.8 | 178.5 | 61.9 | 175.2 | 0.1 | 111.7 | R120 M121 L122 L126 K127 | R120-R124 WeakPolarHBondContact O-CB 3.48Å; R120-R124 PolarHBondContact O-N 2.83Å; R120-R124 VanDerWaalsContact O-N 3.1Å; M121-R124 PolarHBondContact O-N 2.92Å; L122-R124 VanDerWaalsContact C-N 3.29Å; L122-R124 PolarHBondContact O-N 3.46Å; R124-L126 VanDerWaalsContact C-N 3.35Å; R124-K127 WeakPolarHBondContact O-CB 3.45Å; R124-K127 PolarHBondContact O-N 2.86Å |
| 125 | H | 81.8 | Confident | 77.4 | Confident | 29 Ų | 29 | 87.2 Ų | 87.2 | 13% | 0.134 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -63.7 | -38.3 | 179.3 | 171 | 72.9 | 0 | 0 | 0 | 112.5 | C109 C112 F116 M121 L122 K127 C128 H129 | C109-H125 VanDerWaalsContact SG-CD2 3.55Å; C109-H125 PolarHBondContact SG-NE2 3Å; C109-H125 VanDerWaalsContact SG-NE2 3.39Å; C112-H125 VanDerWaalsContact SG-CE1 3.6Å; C112-H125 PolarHBondContact SG-NE2 3.3Å; F116-H125 HydrophobicContact CE1-CB 4.14Å; F116-H125 HydrophobicContact CE2-CB 3.73Å; F116-H125 AromaticContact CE2-CD2 3.51Å; F116-H125 AromaticContact CE2-CG 3.47Å; F116-H125 VanDerWaalsContact CE2-CG 3.47Å; F116-H125 HydrophobicContact CZ-CB 3.52Å; F116-H125 AromaticContact CZ-CD2 3.78Å; F116-H125 AromaticContact CZ-CG 3.28Å; F116-H125 AromaticContact CZ-ND1 3.55Å; M121-H125 VanDerWaalsContact O-CB 3.28Å; M121-H125 WeakPolarHBondContact O-CB 3.22Å; M121-H125 PolarHBondContact O-N 3.39Å; L122-H125 CarbonylContact O-C 3.37Å; L122-H125 WeakPolarHBondContact O-CA 3.38Å; L122-H125 WeakPolarHBondContact O-CB 3.44Å; L122-H125 PolarHBondContact O-N 3.27Å; H125-K127 PolarHBondContact O-N 2.91Å; H125-K127 VanDerWaalsContact O-N 3.16Å; H125-C128 VanDerWaalsContact O-CB 3.22Å; H125-C128 WeakPolarHBondContact O-CB 3.38Å; H125-C128 PolarHBondContact O-N 2.99Å; H125-H129 AromaticContact CD2-NE2 3.9Å; H125-H129 AromaticContact CE1-NE2 3.7Å; H125-H129 AromaticContact NE2-CD2 3.73Å; H125-H129 AromaticContact NE2-NE2 3.05Å; H125-H129 PolarHBondContact NE2-NE2 3.38Å |
| 126 | L | 80.4 | Confident | 77.2 | Confident | 70 Ų | 70 | 85.4 Ų | 85.4 | 37% | 0.366 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.1 | -27.4 | 176.4 | -70.3 | 173.3 | 0 | 0 | 0 | 112.5 | L122 R124 C128 H129 S130 | L122-L126 HydrophobicContact CD1-CD2 4.4Å; L122-L126 HydrophobicContact CD1-CG 4.16Å; L122-L126 HydrophobicContact CG-CD1 4.29Å; L122-L126 HydrophobicContact CG-CG 4.38Å; L122-L126 WeakPolarHBondContact O-CG 3.4Å; L122-L126 PolarHBondContact O-N 3.1Å; R124-L126 VanDerWaalsContact C-N 3.35Å; L126-C128 PolarHBondContact O-N 3.3Å; L126-H129 PolarHBondContact O-N 3.22Å; L126-H129 VanDerWaalsContact O-N 3.08Å; L126-S130 PolarHBondContact O-N 3.35Å |
| 127 | K | 77.6 | Confident | 77.2 | Confident | 73 Ų | 73 | 83.9 Ų | 83.9 | 32% | 0.317 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.9 | -23 | 172.7 | -55.1 | -179.2 | -179.9 | -179.1 | 0 | 113.1 | R124 H125 H129 S130 N145 | R124-K127 WeakPolarHBondContact O-CB 3.45Å; R124-K127 PolarHBondContact O-N 2.86Å; H125-K127 PolarHBondContact O-N 2.91Å; H125-K127 VanDerWaalsContact O-N 3.16Å; K127-H129 VanDerWaalsContact C-N 3.27Å; K127-S130 WeakPolarHBondContact CA-OG 3.5Å; K127-S130 PolarHBondContact O-N 2.66Å; K127-S130 PolarHBondContact O-OG 2.72Å; K127-N145 HydrophobicContact CB-CB 3.86Å; K127-N145 WeakPolarHBondContact CD-O 3.4Å; K127-N145 VanDerWaalsContact O-CG 3.23Å; K127-N145 PolarHBondContact O-ND2 3.08Å; K127-N145 PolarHBondContact O-OD1 2.97Å |
| 128 | C | 74 | Confident | 77.2 | Confident | 85 Ų | 85 | 90.5 Ų | 90.5 | 57% | 0.574 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -70.9 | -25.1 | 173.6 | -62.5 | 0 | 0 | 0 | 0 | 112.8 | H125 L126 N145 | H125-C128 VanDerWaalsContact O-CB 3.22Å; H125-C128 WeakPolarHBondContact O-CB 3.38Å; H125-C128 PolarHBondContact O-N 2.99Å; L126-C128 PolarHBondContact O-N 3.3Å; C128-N145 WeakPolarHBondContact CA-ND2 3.4Å |
| 129 | H | 75.5 | Confident | 76.9 | Confident | 69 Ų | 69 | 93.8 Ų | 93.8 | 32% | 0.319 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -84.5 | -24.8 | 173.6 | -63.6 | -63.4 | 0 | 0 | 0 | 112.3 | C109 L111 H125 L126 K127 L131 | C109-H129 PolarHBondContact SG-NE2 2.81Å; L111-H129 HydrophobicContact CD1-CB 3.41Å; L111-H129 VanDerWaalsContact CD1-CB 3.41Å; L111-H129 VanDerWaalsContact CD1-CG 3.45Å; H125-H129 AromaticContact CD2-NE2 3.9Å; H125-H129 AromaticContact CE1-NE2 3.7Å; H125-H129 AromaticContact NE2-CD2 3.73Å; H125-H129 AromaticContact NE2-NE2 3.05Å; H125-H129 PolarHBondContact NE2-NE2 3.38Å; L126-H129 PolarHBondContact O-N 3.22Å; L126-H129 VanDerWaalsContact O-N 3.08Å; K127-H129 VanDerWaalsContact C-N 3.27Å; H129-L131 PolarHBondContact O-N 3.15Å |
| 130 | S | 66.9 | Low | 76.8 | Confident | 45 Ų | 45 | 92.4 Ų | 92.4 | 32% | 0.315 | 44% | 0.442 | S | S | . | . | trans | -71.9 | 121.8 | 173 | 67.2 | 0 | 0 | 0 | 0 | 110.5 | L126 K127 V132 | L126-S130 PolarHBondContact O-N 3.35Å; K127-S130 WeakPolarHBondContact CA-OG 3.5Å; K127-S130 PolarHBondContact O-N 2.66Å; K127-S130 PolarHBondContact O-OG 2.72Å; S130-V132 PolarHBondContact O-N 3.34Å | ||
| 131 | L | 62.8 | Low | 76.6 | Confident | 169 Ų | 169 | 87 Ų | 87 | 89% | 0.885 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -67.5 | -11.3 | 170.2 | -62.9 | 174.2 | 0 | 0 | 0 | 112.4 | H129 K133 | H129-L131 PolarHBondContact O-N 3.15Å; L131-K133 PolarHBondContact O-N 2.95Å; L131-K133 VanDerWaalsContact O-N 3.1Å |
| 132 | V | 63.6 | Low | 76.6 | Confident | 105 Ų | 105 | 90.4 Ų | 90.4 | 64% | 0.636 | 45% | 0.454 | S | S | * | . | trans | -80.2 | 88.4 | 176.4 | -173.2 | 0 | 0 | 0 | 0 | 110.1 | S130 R134 | S130-V132 PolarHBondContact O-N 3.34Å; V132-R134 PolarHBondContact O-N 3.49Å | ||
| 133 | K | 66.4 | Low | 76.4 | Confident | 115 Ų | 115 | 90.3 Ų | 90.3 | 50% | 0.5 | 46% | 0.456 | S | S | . | . | trans | -77.7 | 106.2 | 171.4 | -74.7 | 158.7 | 165.2 | -169.7 | 0 | 109.9 | L131 H135 G143 | L131-K133 PolarHBondContact O-N 2.95Å; L131-K133 VanDerWaalsContact O-N 3.1Å; K133-H135 VanDerWaalsContact C-N 3.32Å; K133-H135 PolarHBondContact O-N 3.34Å; K133-G143 WeakPolarHBondContact CD-O 3.43Å; K133-G143 VanDerWaalsContact CE-O 3.28Å; K133-G143 WeakPolarHBondContact CE-O 3.3Å | ||
| 134 | R | 73.1 | Confident | 76.3 | Confident | 183 Ų | 183 | 88.5 Ų | 88.5 | 69% | 0.691 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -73 | -22 | -173.8 | -60.9 | -175.9 | -177.5 | -145 | -1.3 | 114.1 | V132 P136 F144 | V132-R134 PolarHBondContact O-N 3.49Å; R134-P136 VanDerWaalsContact O-CD 3.25Å; R134-P136 WeakPolarHBondContact O-CD 3.26Å; R134-F144 PolarHBondContact N-O 2.81Å |
| 135 | H | 79.2 | Confident | 76.2 | Confident | 54 Ų | 54 | 84.1 Ų | 84.1 | 25% | 0.25 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 82.3 | -172.4 | -57.6 | -61 | 0 | 0 | 0 | 110.9 | K133 F144 T147 L150 | K133-H135 VanDerWaalsContact C-N 3.32Å; K133-H135 PolarHBondContact O-N 3.34Å; H135-F144 HydrophobicContact CB-CB 4.33Å; H135-F144 PolarHBondContact N-O 2.66Å; H135-F144 PolarHBondContact O-N 3.4Å; H135-T147 WeakPolarHBondContact CE1-CG2 3.43Å; H135-L150 HydrophobicContact CB-CB 4.23Å; H135-L150 HydrophobicContact CB-CD2 3.95Å |
| 136 | P | 79.4 | Confident | 76.1 | Confident | 76 Ų | 76 | 84.7 Ų | 84.7 | 49% | 0.494 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 139 | 175.4 | 30.2 | -33.7 | 0 | 0 | 0 | 111.9 | R134 | R134-P136 VanDerWaalsContact O-CD 3.25Å; R134-P136 WeakPolarHBondContact O-CD 3.26Å |
| 137 | C | 83.9 | Confident | 76.1 | Confident | 3 Ų | 3 | 85.2 Ų | 85.2 | 2% | 0.02 | 44% | 0.438 | C | S | . | . | trans | -70.7 | 127.6 | 167.4 | -179.8 | 0 | 0 | 0 | 0 | 110.1 | F139 C140 G141 K142 F144 L150 H153 M154 H157 | C137-F139 VanDerWaalsContact C-N 3.27Å; C137-F139 PolarHBondContact O-N 3.15Å; C137-F139 PolarHBondContact SG-N 3.12Å; C137-C140 VanDerWaalsContact SG-SG 3.6Å; C137-G141 WeakPolarHBondContact O-CA 3.28Å; C137-G141 PolarHBondContact O-N 2.88Å; C137-K142 WeakPolarHBondContact CB-O 3.18Å; C137-K142 PolarHBondContact N-O 3.25Å; C137-F144 HydrophobicContact CB-CE2 4.24Å; C137-L150 HydrophobicContact CB-CD1 3.91Å; C137-H153 WeakPolarHBondContact CB-NE2 3.48Å; C137-H153 PolarHBondContact SG-NE2 3.26Å; C137-M154 VanDerWaalsContact SG-SD 3.69Å; C137-H157 PolarHBondContact SG-NE2 2.68Å; C137-H157 VanDerWaalsContact SG-NE2 3.43Å | ||
| 138 | R | 80.9 | Confident | 76.3 | Confident | 230 Ų | 230 | 87.5 Ų | 87.5 | 87% | 0.868 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -21.2 | 179.6 | -64.9 | -175.1 | 179 | 176.2 | -1.1 | 113.8 | ||
| 139 | F | 78.2 | Confident | 76.7 | Confident | 144 Ų | 144 | 85.7 Ų | 85.7 | 63% | 0.632 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -31.6 | -178.2 | -66.3 | -67.3 | 0 | 0 | 0 | 113.9 | C137 M154 H157 | C137-F139 VanDerWaalsContact C-N 3.27Å; C137-F139 PolarHBondContact O-N 3.15Å; C137-F139 PolarHBondContact SG-N 3.12Å; F139-M154 HydrophobicContact CD2-CE 3.36Å; F139-M154 HydrophobicContact CD2-SD 4.4Å; F139-M154 HydrophobicContact CE2-CE 3.27Å; F139-H157 HydrophobicContact CD2-CB 3.97Å; F139-H157 AromaticContact CD2-CD2 3.95Å; F139-H157 AromaticContact CD2-CG 3.89Å; F139-H157 HydrophobicContact CE2-CB 4.44Å; F139-H157 HydrophobicContact CG-CB 4.44Å |
| 140 | C | 83 | Confident | 77.1 | Confident | 65 Ų | 65 | 84 Ų | 84 | 44% | 0.439 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.2 | 4.5 | -175.9 | 65.4 | 0 | 0 | 0 | 0 | 114.5 | C137 K142 H153 H157 | C137-C140 VanDerWaalsContact SG-SG 3.6Å; C140-K142 PolarHBondContact O-N 2.8Å; C140-K142 VanDerWaalsContact SG-CB 3.6Å; C140-H153 PolarHBondContact SG-NE2 2.87Å; C140-H157 PolarHBondContact SG-NE2 2.94Å |
| 141 | G | 77.1 | Confident | 78 | Confident | 58 Ų | 58 | 87.4 Ų | 87.4 | 60% | 0.598 | 44% | 0.435 | S | S | * | . | trans | 69.2 | -2.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | C137 G143 | C137-G141 WeakPolarHBondContact O-CA 3.28Å; C137-G141 PolarHBondContact O-N 2.88Å; G141-G143 PolarHBondContact O-N 3.48Å | ||
| 142 | K | 79.9 | Confident | 79 | Confident | 120 Ų | 120 | 83.4 Ų | 83.4 | 52% | 0.522 | 41% | 0.408 | S | S | . | . | trans | -65.4 | 121.2 | -176.9 | -167.6 | 168.9 | -174.9 | 171.2 | 0 | 110.7 | C137 C140 F144 | C137-K142 WeakPolarHBondContact CB-O 3.18Å; C137-K142 PolarHBondContact N-O 3.25Å; C140-K142 PolarHBondContact O-N 2.8Å; C140-K142 VanDerWaalsContact SG-CB 3.6Å; K142-F144 HydrophobicContact CB-CE2 4.09Å; K142-F144 HydrophobicContact CB-CZ 4.35Å; K142-F144 HydrophobicContact CD-CZ 4Å; K142-F144 HydrophobicContact CG-CE2 4.08Å; K142-F144 HydrophobicContact CG-CZ 3.96Å; K142-F144 VanDerWaalsContact O-CD2 3.28Å; K142-F144 WeakPolarHBondContact O-CD2 3.48Å; K142-F144 WeakPolarHBondContact O-CE2 3.44Å | ||
| 143 | G | 78.6 | Confident | 80.1 | Confident | 12 Ų | 12 | 79.7 Ų | 79.7 | 12% | 0.124 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 139.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | K133 G141 | K133-G143 WeakPolarHBondContact CD-O 3.43Å; K133-G143 VanDerWaalsContact CE-O 3.28Å; K133-G143 WeakPolarHBondContact CE-O 3.3Å; G141-G143 PolarHBondContact O-N 3.48Å |
| 144 | F | 81.5 | Confident | 81 | Confident | 32 Ų | 32 | 76.6 Ų | 76.6 | 14% | 0.14 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 155.1 | 177 | -60.8 | -89 | 0 | 0 | 0 | 111.2 | R134 H135 C137 K142 D149 L150 H153 | R134-F144 PolarHBondContact N-O 2.81Å; H135-F144 HydrophobicContact CB-CB 4.33Å; H135-F144 PolarHBondContact N-O 2.66Å; H135-F144 PolarHBondContact O-N 3.4Å; C137-F144 HydrophobicContact CB-CE2 4.24Å; K142-F144 HydrophobicContact CB-CE2 4.09Å; K142-F144 HydrophobicContact CB-CZ 4.35Å; K142-F144 HydrophobicContact CD-CZ 4Å; K142-F144 HydrophobicContact CG-CE2 4.08Å; K142-F144 HydrophobicContact CG-CZ 3.96Å; K142-F144 VanDerWaalsContact O-CD2 3.28Å; K142-F144 WeakPolarHBondContact O-CD2 3.48Å; K142-F144 WeakPolarHBondContact O-CE2 3.44Å; F144-D149 HydrophobicContact CB-CB 4.29Å; F144-D149 HydrophobicContact CD1-CB 3.95Å; F144-D149 HydrophobicContact CG-CB 4.44Å; F144-L150 HydrophobicContact CB-CB 4.22Å; F144-L150 HydrophobicContact CD2-CB 4.09Å; F144-L150 HydrophobicContact CD2-CD1 3.74Å; F144-L150 HydrophobicContact CE2-CD1 4.05Å; F144-L150 HydrophobicContact CG-CB 4.26Å; F144-H153 HydrophobicContact CE1-CB 3.76Å; F144-H153 HydrophobicContact CE2-CB 3.82Å; F144-H153 AromaticContact CE2-CD2 3.22Å; F144-H153 WeakPolarHBondContact CE2-CD2 3.49Å; F144-H153 AromaticContact CE2-CG 3.53Å; F144-H153 AromaticContact CE2-NE2 3.87Å; F144-H153 HydrophobicContact CZ-CB 3.32Å; F144-H153 AromaticContact CZ-CD2 3.36Å; F144-H153 WeakPolarHBondContact CZ-CD2 3.39Å; F144-H153 AromaticContact CZ-CG 3.14Å; F144-H153 AromaticContact CZ-ND1 3.7Å; F144-H153 AromaticContact CZ-NE2 3.95Å |
| 145 | N | 77.1 | Confident | 81.6 | Confident | 29 Ų | 29 | 70.5 Ų | 70.5 | 16% | 0.155 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -89.8 | -15.5 | -178.4 | -67.3 | -21.7 | 0 | 0 | 0 | 113.4 | K127 C128 | K127-N145 HydrophobicContact CB-CB 3.86Å; K127-N145 WeakPolarHBondContact CD-O 3.4Å; K127-N145 VanDerWaalsContact O-CG 3.23Å; K127-N145 PolarHBondContact O-ND2 3.08Å; K127-N145 PolarHBondContact O-OD1 2.97Å; C128-N145 WeakPolarHBondContact CA-ND2 3.4Å |
| 146 | D | 78.4 | Confident | 81.9 | Confident | 41 Ų | 41 | 72.2 Ų | 72.2 | 22% | 0.219 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -138.2 | 147.8 | -178.7 | -161.8 | -7.2 | 0 | 0 | 0 | 110.4 | F148 D149 L150 | D146-F148 VanDerWaalsContact C-N 3.28Å; D146-F148 PolarHBondContact O-N 2.86Å; D146-D149 HydrophobicContact CB-CB 4.41Å; D146-D149 PolarHBondContact O-N 3.28Å; D146-L150 PolarHBondContact O-N 2.79Å; D146-L150 VanDerWaalsContact O-N 3.15Å |
| 147 | T | 80.4 | Confident | 82 | Confident | 82 Ų | 82 | 72.3 Ų | 72.3 | 50% | 0.503 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.9 | -33.1 | 176.8 | 57.4 | 0 | 0 | 0 | 0 | 111.1 | H135 D149 L150 K151 | H135-T147 WeakPolarHBondContact CE1-CG2 3.43Å; T147-D149 VanDerWaalsContact C-N 3.35Å; T147-L150 PolarHBondContact O-N 3.28Å; T147-K151 WeakPolarHBondContact O-CB 3.29Å; T147-K151 PolarHBondContact O-N 3.16Å |
| 148 | F | 82.3 | Confident | 82 | Confident | 121 Ų | 121 | 75.9 Ų | 75.9 | 53% | 0.531 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.4 | -44 | 174.8 | 179.8 | -95.8 | 0 | 0 | 0 | 111.7 | D146 K151 R152 | D146-F148 VanDerWaalsContact C-N 3.28Å; D146-F148 PolarHBondContact O-N 2.86Å; F148-K151 PolarHBondContact O-N 2.84Å; F148-R152 WeakPolarHBondContact O-CB 3.32Å; F148-R152 PolarHBondContact O-N 2.88Å |
| 149 | D | 82.1 | Confident | 82 | Confident | 46 Ų | 46 | 67.4 Ų | 67.4 | 25% | 0.246 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.4 | -39.5 | 179 | -71.1 | -36.3 | 0 | 0 | 0 | 111.4 | F144 D146 T147 R152 H153 | F144-D149 HydrophobicContact CB-CB 4.29Å; F144-D149 HydrophobicContact CD1-CB 3.95Å; F144-D149 HydrophobicContact CG-CB 4.44Å; D146-D149 HydrophobicContact CB-CB 4.41Å; D146-D149 PolarHBondContact O-N 3.28Å; T147-D149 VanDerWaalsContact C-N 3.35Å; D149-R152 PolarHBondContact O-N 3.31Å; D149-R152 IonicContact OD1-CZ 3.38Å; D149-R152 IonicContact OD1-NH1 2.72Å; D149-R152 IonicContact OD1-NH2 2.66Å; D149-R152 PolarHBondContact OD1-NH2 3.45Å; D149-H153 WeakPolarHBondContact O-CB 3.39Å; D149-H153 PolarHBondContact O-N 3.41Å |
| 150 | L | 84.4 | Confident | 82.2 | Confident | 35 Ų | 35 | 65.1 Ų | 65.1 | 18% | 0.183 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.2 | -51.6 | 171.5 | 175 | 61.3 | 0 | 0 | 0 | 110.6 | H135 C137 F144 D146 T147 R152 H153 M154 | H135-L150 HydrophobicContact CB-CB 4.23Å; H135-L150 HydrophobicContact CB-CD2 3.95Å; C137-L150 HydrophobicContact CB-CD1 3.91Å; F144-L150 HydrophobicContact CB-CB 4.22Å; F144-L150 HydrophobicContact CD2-CB 4.09Å; F144-L150 HydrophobicContact CD2-CD1 3.74Å; F144-L150 HydrophobicContact CE2-CD1 4.05Å; F144-L150 HydrophobicContact CG-CB 4.26Å; D146-L150 PolarHBondContact O-N 2.79Å; D146-L150 VanDerWaalsContact O-N 3.15Å; T147-L150 PolarHBondContact O-N 3.28Å; L150-R152 VanDerWaalsContact C-N 3.29Å; L150-R152 PolarHBondContact O-N 3.24Å; L150-H153 CarbonylContact O-C 3.51Å; L150-H153 WeakPolarHBondContact O-CA 3.5Å; L150-H153 WeakPolarHBondContact O-CB 3.38Å; L150-H153 PolarHBondContact O-N 3.5Å; L150-M154 HydrophobicContact CD1-CG 4.35Å; L150-M154 HydrophobicContact CD1-SD 3.93Å; L150-M154 HydrophobicContact CG-CG 4.46Å; L150-M154 VanDerWaalsContact O-CG 3.3Å; L150-M154 WeakPolarHBondContact O-CG 3.42Å; L150-M154 PolarHBondContact O-N 3.22Å |
| 151 | K | 85.1 | Confident | 82.4 | Confident | 115 Ų | 115 | 67.8 Ų | 67.8 | 50% | 0.5 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.5 | -40.2 | 179.6 | -173.3 | 177.1 | -177.5 | -179.6 | 0 | 112.2 | I31 T147 F148 M154 | I31-K151 VanDerWaalsContact CD1-NZ 3.28Å; T147-K151 WeakPolarHBondContact O-CB 3.29Å; T147-K151 PolarHBondContact O-N 3.16Å; F148-K151 PolarHBondContact O-N 2.84Å; K151-M154 PolarHBondContact O-N 3Å |
| 152 | R | 84.7 | Confident | 82.7 | Confident | 85 Ų | 85 | 68.4 Ų | 68.4 | 32% | 0.321 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 173.2 | -178.6 | -179.9 | 63.2 | -152.9 | -11.4 | 111.1 | F148 D149 L150 M154 R155 Q174 | F148-R152 WeakPolarHBondContact O-CB 3.32Å; F148-R152 PolarHBondContact O-N 2.88Å; D149-R152 PolarHBondContact O-N 3.31Å; D149-R152 IonicContact OD1-CZ 3.38Å; D149-R152 IonicContact OD1-NH1 2.72Å; D149-R152 IonicContact OD1-NH2 2.66Å; D149-R152 PolarHBondContact OD1-NH2 3.45Å; L150-R152 VanDerWaalsContact C-N 3.29Å; L150-R152 PolarHBondContact O-N 3.24Å; R152-M154 VanDerWaalsContact C-N 3.33Å; R152-R155 VanDerWaalsContact O-CB 3.3Å; R152-R155 WeakPolarHBondContact O-CB 3.26Å; R152-R155 WeakPolarHBondContact O-CG 3.22Å; R152-R155 PolarHBondContact O-N 3.45Å; R152-Q174 HydrophobicContact CG-CG 4.44Å |
| 153 | H | 85.9 | Confident | 83.1 | Confident | 28 Ų | 28 | 65.4 Ų | 65.4 | 13% | 0.13 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.9 | -38 | 176.1 | 166.9 | 65.6 | 0 | 0 | 0 | 112.3 | C137 C140 F144 D149 L150 R155 T156 H157 | C137-H153 WeakPolarHBondContact CB-NE2 3.48Å; C137-H153 PolarHBondContact SG-NE2 3.26Å; C140-H153 PolarHBondContact SG-NE2 2.87Å; F144-H153 HydrophobicContact CE1-CB 3.76Å; F144-H153 HydrophobicContact CE2-CB 3.82Å; F144-H153 AromaticContact CE2-CD2 3.22Å; F144-H153 WeakPolarHBondContact CE2-CD2 3.49Å; F144-H153 AromaticContact CE2-CG 3.53Å; F144-H153 AromaticContact CE2-NE2 3.87Å; F144-H153 HydrophobicContact CZ-CB 3.32Å; F144-H153 AromaticContact CZ-CD2 3.36Å; F144-H153 WeakPolarHBondContact CZ-CD2 3.39Å; F144-H153 AromaticContact CZ-CG 3.14Å; F144-H153 AromaticContact CZ-ND1 3.7Å; F144-H153 AromaticContact CZ-NE2 3.95Å; D149-H153 WeakPolarHBondContact O-CB 3.39Å; D149-H153 PolarHBondContact O-N 3.41Å; L150-H153 CarbonylContact O-C 3.51Å; L150-H153 WeakPolarHBondContact O-CA 3.5Å; L150-H153 WeakPolarHBondContact O-CB 3.38Å; L150-H153 PolarHBondContact O-N 3.5Å; H153-R155 PolarHBondContact O-N 2.8Å; H153-T156 PolarHBondContact ND1-OG1 3.37Å; H153-T156 WeakPolarHBondContact O-CB 3.02Å; H153-T156 WeakPolarHBondContact O-CG2 3.41Å; H153-T156 PolarHBondContact O-N 3.46Å; H153-T156 PolarHBondContact O-OG1 3.16Å; H153-H157 AromaticContact CE1-NE2 3.61Å; H153-H157 AromaticContact NE2-CD2 3.82Å; H153-H157 AromaticContact NE2-NE2 3.35Å; H153-H157 PolarHBondContact NE2-NE2 3.08Å |
| 154 | M | 85.6 | Confident | 83.4 | Confident | 49 Ų | 49 | 71.7 Ų | 71.7 | 24% | 0.241 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -56.1 | -25.8 | 178.1 | -63 | -52.9 | -72.9 | 0 | 0 | 113.3 | C137 F139 L150 K151 R152 T156 H157 T158 | C137-M154 VanDerWaalsContact SG-SD 3.69Å; F139-M154 HydrophobicContact CD2-CE 3.36Å; F139-M154 HydrophobicContact CD2-SD 4.4Å; F139-M154 HydrophobicContact CE2-CE 3.27Å; L150-M154 HydrophobicContact CD1-CG 4.35Å; L150-M154 HydrophobicContact CD1-SD 3.93Å; L150-M154 HydrophobicContact CG-CG 4.46Å; L150-M154 VanDerWaalsContact O-CG 3.3Å; L150-M154 WeakPolarHBondContact O-CG 3.42Å; L150-M154 PolarHBondContact O-N 3.22Å; K151-M154 PolarHBondContact O-N 3Å; R152-M154 VanDerWaalsContact C-N 3.33Å; M154-T156 PolarHBondContact O-N 3.49Å; M154-H157 PolarHBondContact O-N 2.8Å; M154-T158 PolarHBondContact O-N 3.26Å; M154-T158 PolarHBondContact O-OG1 3.32Å |
| 155 | R | 87 | Confident | 83.6 | Confident | 55 Ų | 55 | 70.3 Ų | 70.3 | 21% | 0.208 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.4 | -22.6 | 173.8 | -58.2 | 178.6 | -173.7 | 168.3 | 0.3 | 113.4 | R152 H153 H157 G159 T173 | R152-R155 VanDerWaalsContact O-CB 3.3Å; R152-R155 WeakPolarHBondContact O-CB 3.26Å; R152-R155 WeakPolarHBondContact O-CG 3.22Å; R152-R155 PolarHBondContact O-N 3.45Å; H153-R155 PolarHBondContact O-N 2.8Å; R155-H157 VanDerWaalsContact C-N 3.34Å; R155-G159 PolarHBondContact O-N 3.35Å; R155-G159 VanDerWaalsContact O-N 3.09Å; R155-T173 PolarHBondContact NH1-O 2.95Å |
| 156 | T | 83.8 | Confident | 84 | Confident | 90 Ų | 90 | 77.4 Ų | 77.4 | 55% | 0.552 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -75.5 | -25.7 | 175.3 | 67.4 | 0 | 0 | 0 | 0 | 112.3 | H153 M154 | H153-T156 PolarHBondContact ND1-OG1 3.37Å; H153-T156 WeakPolarHBondContact O-CB 3.02Å; H153-T156 WeakPolarHBondContact O-CG2 3.41Å; H153-T156 PolarHBondContact O-N 3.46Å; H153-T156 PolarHBondContact O-OG1 3.16Å; M154-T156 PolarHBondContact O-N 3.49Å |
| 157 | H | 82.6 | Confident | 84.2 | Confident | 78 Ų | 78 | 80.5 Ų | 80.5 | 36% | 0.361 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -86.2 | -40.1 | 175.6 | -68.1 | -64.9 | 0 | 0 | 0 | 111.5 | C137 F139 C140 H153 M154 R155 G159 | C137-H157 PolarHBondContact SG-NE2 2.68Å; C137-H157 VanDerWaalsContact SG-NE2 3.43Å; F139-H157 HydrophobicContact CD2-CB 3.97Å; F139-H157 AromaticContact CD2-CD2 3.95Å; F139-H157 AromaticContact CD2-CG 3.89Å; F139-H157 HydrophobicContact CE2-CB 4.44Å; F139-H157 HydrophobicContact CG-CB 4.44Å; C140-H157 PolarHBondContact SG-NE2 2.94Å; H153-H157 AromaticContact CE1-NE2 3.61Å; H153-H157 AromaticContact NE2-CD2 3.82Å; H153-H157 AromaticContact NE2-NE2 3.35Å; H153-H157 PolarHBondContact NE2-NE2 3.08Å; M154-H157 PolarHBondContact O-N 2.8Å; R155-H157 VanDerWaalsContact C-N 3.34Å; H157-G159 VanDerWaalsContact C-N 3.34Å |
| 158 | T | 83 | Confident | 84.6 | Confident | 79 Ų | 79 | 79 Ų | 79 | 49% | 0.485 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -83.1 | -10.7 | -178.1 | 60 | 0 | 0 | 0 | 0 | 113.8 | M154 I160 | M154-T158 PolarHBondContact O-N 3.26Å; M154-T158 PolarHBondContact O-OG1 3.32Å; T158-I160 HydrophobicContact CG2-CD1 4.49Å; T158-I160 PolarHBondContact O-N 3.31Å; T158-I160 VanDerWaalsContact O-N 3.14Å; T158-I160 WeakPolarHBondContact OG1-CD1 3.48Å; T158-I160 WeakPolarHBondContact OG1-CG1 3.32Å |
| 159 | G | 81.4 | Confident | 84.7 | Confident | 52 Ų | 52 | 81.2 Ų | 81.2 | 54% | 0.536 | 41% | 0.407 | S | S | . | . | trans | 67.3 | 9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R155 H157 R161 | R155-G159 PolarHBondContact O-N 3.35Å; R155-G159 VanDerWaalsContact O-N 3.09Å; H157-G159 VanDerWaalsContact C-N 3.34Å; G159-R161 PolarHBondContact O-N 3.35Å | ||
| 160 | I | 83.3 | Confident | 84.9 | Confident | 96 Ų | 96 | 85.2 Ų | 85.2 | 49% | 0.492 | 42% | 0.422 | S | S | . | . | trans | -70.3 | 120.2 | -177.5 | -62.6 | 170.7 | 0 | 0 | 0 | 109.7 | T158 P162 | T158-I160 HydrophobicContact CG2-CD1 4.49Å; T158-I160 PolarHBondContact O-N 3.31Å; T158-I160 VanDerWaalsContact O-N 3.14Å; T158-I160 WeakPolarHBondContact OG1-CD1 3.48Å; T158-I160 WeakPolarHBondContact OG1-CG1 3.32Å; I160-P162 WeakPolarHBondContact O-CD 3.36Å | ||
| 161 | R | 86.4 | Confident | 85.1 | Confident | 121 Ų | 121 | 84.7 Ų | 84.7 | 46% | 0.457 | 42% | 0.423 | S | S | . | . | trans | -119.7 | 82.7 | -179.7 | -65.4 | 173.3 | 83.7 | 104.1 | -0.5 | 109.6 | G159 Y163 A171 F172 T173 | G159-R161 PolarHBondContact O-N 3.35Å; R161-Y163 PolarHBondContact O-N 3.34Å; R161-A171 HydrophobicContact CB-CB 3.44Å; R161-A171 VanDerWaalsContact CB-CB 3.44Å; R161-A171 HydrophobicContact CG-CB 4.36Å; R161-A171 PolarHBondContact NE-O 3.47Å; R161-A171 PolarHBondContact NH2-O 3.24Å; R161-F172 CarbonylContact C-O 3.53Å; R161-F172 VanDerWaalsContact C-O 3.25Å; R161-F172 VanDerWaalsContact CA-O 3.26Å; R161-F172 WeakPolarHBondContact CA-O 3.26Å; R161-T173 HydrophobicContact CG-CG2 3.82Å | ||
| 162 | P | 83.9 | Confident | 85.2 | Confident | 70 Ų | 70 | 80.6 Ų | 80.6 | 46% | 0.455 | 41% | 0.405 | S | S | . | . | trans | -73.8 | -13.9 | -170.3 | 29.2 | -32.3 | 0 | 0 | 0 | 113.3 | I160 F172 | I160-P162 WeakPolarHBondContact O-CD 3.36Å; P162-F172 WeakPolarHBondContact CD-O 3.31Å | ||
| 163 | Y | 86.9 | Confident | 85.2 | Confident | 58 Ų | 58 | 78.1 Ų | 78.1 | 23% | 0.227 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 99.7 | -176.1 | -56.1 | -74 | 0 | 0 | 0 | 109.7 | R161 A171 F172 T173 Q174 R175 | R161-Y163 PolarHBondContact O-N 3.34Å; Y163-A171 CarbonylContact O-C 3.55Å; Y163-A171 WeakPolarHBondContact O-CA 3.13Å; Y163-F172 PolarHBondContact N-O 3.07Å; Y163-F172 VanDerWaalsContact N-O 3.15Å; Y163-F172 PolarHBondContact O-N 3.39Å; Y163-T173 WeakPolarHBondContact CE2-O 3.43Å; Y163-Q174 VanDerWaalsContact CD2-CA 3.5Å; Y163-R175 HydrophobicContact CD1-CB 4.05Å; Y163-R175 HydrophobicContact CE1-CB 3.83Å; Y163-R175 HydrophobicContact CE2-CB 4.4Å; Y163-R175 HydrophobicContact CG-CB 4.43Å |
| 164 | K | 85.9 | Confident | 85.2 | Confident | 144 Ų | 144 | 79.9 Ų | 79.9 | 63% | 0.626 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 143.1 | 178.9 | -63.6 | -176.3 | -179.2 | -178.9 | 0 | 111.2 | A171 | K164-A171 HydrophobicContact CG-CB 3.94Å |
| 165 | C | 85.9 | Confident | 85.3 | Confident | 2 Ų | 2 | 84 Ų | 84 | 1% | 0.014 | 42% | 0.421 | C | S | . | . | trans | -78.5 | 123.8 | 167.6 | 175.5 | 0 | 0 | 0 | 0 | 108.8 | L167 C168 E169 K170 F172 L178 H181 M182 H186 | C165-L167 VanDerWaalsContact C-N 3.26Å; C165-L167 PolarHBondContact O-N 3.01Å; C165-L167 PolarHBondContact SG-N 2.83Å; C165-C168 PolarHBondContact SG-N 3.25Å; C165-C168 PolarHBondContact SG-SG 3.39Å; C165-E169 WeakPolarHBondContact O-CA 3.27Å; C165-E169 PolarHBondContact O-N 3.06Å; C165-K170 HydrophobicContact CB-CB 4.37Å; C165-K170 VanDerWaalsContact CB-O 3.29Å; C165-K170 WeakPolarHBondContact CB-O 3.33Å; C165-K170 PolarHBondContact N-O 3.28Å; C165-F172 HydrophobicContact CB-CE2 4.42Å; C165-L178 HydrophobicContact CB-CD1 3.83Å; C165-H181 PolarHBondContact SG-NE2 2.92Å; C165-H181 VanDerWaalsContact SG-NE2 3.35Å; C165-M182 VanDerWaalsContact CA-CE 3.46Å; C165-M182 HydrophobicContact CB-CE 3.65Å; C165-M182 WeakPolarHBondContact SG-CE 3.08Å; C165-H186 PolarHBondContact SG-NE2 2.67Å; C165-H186 VanDerWaalsContact SG-NE2 3.35Å | ||
| 166 | E | 84.8 | Confident | 85.1 | Confident | 178 Ų | 178 | 84.6 Ų | 84.6 | 83% | 0.832 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -18.6 | 178.8 | -67.5 | 169.7 | -169.1 | 0 | 0 | 112.5 | ||
| 167 | L | 83.3 | Confident | 85.4 | Confident | 107 Ų | 107 | 82.4 Ų | 82.4 | 56% | 0.56 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -29.9 | -176.2 | -61.2 | 175.5 | 0 | 0 | 0 | 113.8 | C165 M182 H186 V188 | C165-L167 VanDerWaalsContact C-N 3.26Å; C165-L167 PolarHBondContact O-N 3.01Å; C165-L167 PolarHBondContact SG-N 2.83Å; L167-M182 HydrophobicContact CD1-SD 4.19Å; L167-H186 HydrophobicContact CD1-CB 3.57Å; L167-V188 HydrophobicContact CD1-CG2 3.91Å |
| 168 | C | 88.1 | Confident | 85.7 | Confident | 50 Ų | 50 | 79.2 Ų | 79.2 | 34% | 0.338 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.3 | 13.8 | 179 | 71.2 | 0 | 0 | 0 | 0 | 113.9 | C165 K170 H181 H186 | C165-C168 PolarHBondContact SG-N 3.25Å; C165-C168 PolarHBondContact SG-SG 3.39Å; C168-K170 PolarHBondContact O-N 3.11Å; C168-H181 PolarHBondContact SG-CE1 3.02Å; C168-H181 PolarHBondContact SG-NE2 3.1Å; C168-H186 PolarHBondContact SG-NE2 2.84Å |
| 169 | E | 85.2 | Confident | 85.9 | Confident | 168 Ų | 168 | 78.7 Ų | 78.7 | 79% | 0.785 | 40% | 0.398 | S | S | * | . | trans | 58.3 | 2 | 176.5 | -57.8 | -170.1 | 164.5 | 0 | 0 | 116.1 | C165 A171 | C165-E169 WeakPolarHBondContact O-CA 3.27Å; C165-E169 PolarHBondContact O-N 3.06Å; E169-A171 PolarHBondContact O-N 2.93Å; E169-A171 VanDerWaalsContact O-N 3.12Å | ||
| 170 | K | 85.8 | Confident | 86.3 | Confident | 130 Ų | 130 | 78.4 Ų | 78.4 | 57% | 0.565 | 39% | 0.388 | S | S | * | . | trans | -61.1 | 119.1 | 175.7 | -81.6 | -176.4 | 177.2 | 176.2 | 0 | 110.3 | C165 C168 F172 | C165-K170 HydrophobicContact CB-CB 4.37Å; C165-K170 VanDerWaalsContact CB-O 3.29Å; C165-K170 WeakPolarHBondContact CB-O 3.33Å; C165-K170 PolarHBondContact N-O 3.28Å; C168-K170 PolarHBondContact O-N 3.11Å; K170-F172 HydrophobicContact CB-CE2 3.93Å; K170-F172 HydrophobicContact CB-CZ 4.11Å; K170-F172 WeakPolarHBondContact O-CD2 3.4Å; K170-F172 VanDerWaalsContact O-CE2 3.26Å; K170-F172 WeakPolarHBondContact O-CE2 3.49Å | ||
| 171 | A | 88.6 | Confident | 86.6 | Confident | 23 Ų | 23 | 74.8 Ų | 74.8 | 19% | 0.19 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 154.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | R161 Y163 K164 E169 | R161-A171 HydrophobicContact CB-CB 3.44Å; R161-A171 VanDerWaalsContact CB-CB 3.44Å; R161-A171 HydrophobicContact CG-CB 4.36Å; R161-A171 PolarHBondContact NE-O 3.47Å; R161-A171 PolarHBondContact NH2-O 3.24Å; Y163-A171 CarbonylContact O-C 3.55Å; Y163-A171 WeakPolarHBondContact O-CA 3.13Å; K164-A171 HydrophobicContact CG-CB 3.94Å; E169-A171 PolarHBondContact O-N 2.93Å; E169-A171 VanDerWaalsContact O-N 3.12Å |
| 172 | F | 86.4 | Confident | 86.6 | Confident | 30 Ų | 30 | 69.2 Ų | 69.2 | 13% | 0.132 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 151.3 | 176.6 | -61.6 | -90 | 0 | 0 | 0 | 110.7 | R161 P162 Y163 C165 K170 Q174 L178 H181 | R161-F172 CarbonylContact C-O 3.53Å; R161-F172 VanDerWaalsContact C-O 3.25Å; R161-F172 VanDerWaalsContact CA-O 3.26Å; R161-F172 WeakPolarHBondContact CA-O 3.26Å; P162-F172 WeakPolarHBondContact CD-O 3.31Å; Y163-F172 PolarHBondContact N-O 3.07Å; Y163-F172 VanDerWaalsContact N-O 3.15Å; Y163-F172 PolarHBondContact O-N 3.39Å; C165-F172 HydrophobicContact CB-CE2 4.42Å; K170-F172 HydrophobicContact CB-CE2 3.93Å; K170-F172 HydrophobicContact CB-CZ 4.11Å; K170-F172 WeakPolarHBondContact O-CD2 3.4Å; K170-F172 VanDerWaalsContact O-CE2 3.26Å; K170-F172 WeakPolarHBondContact O-CE2 3.49Å; F172-Q174 VanDerWaalsContact C-N 3.34Å; F172-L178 HydrophobicContact CB-CB 4.35Å; F172-L178 HydrophobicContact CD2-CB 3.9Å; F172-L178 HydrophobicContact CD2-CD1 3.66Å; F172-L178 HydrophobicContact CD2-CG 4.4Å; F172-L178 HydrophobicContact CE2-CD1 3.82Å; F172-L178 HydrophobicContact CG-CB 4.27Å; F172-H181 HydrophobicContact CE1-CB 3.96Å; F172-H181 HydrophobicContact CE2-CB 3.94Å; F172-H181 AromaticContact CE2-CD2 3.49Å; F172-H181 VanDerWaalsContact CE2-CD2 3.49Å; F172-H181 WeakPolarHBondContact CE2-CD2 3.31Å; F172-H181 AromaticContact CE2-CG 3.66Å; F172-H181 HydrophobicContact CZ-CB 3.42Å; F172-H181 VanDerWaalsContact CZ-CB 3.42Å; F172-H181 AromaticContact CZ-CD2 3.59Å; F172-H181 AromaticContact CZ-CG 3.25Å; F172-H181 AromaticContact CZ-ND1 3.69Å |
| 173 | T | 86 | Confident | 86.7 | Confident | 33 Ų | 33 | 70.1 Ų | 70.1 | 20% | 0.202 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -78.6 | -20 | 178 | 55.6 | 0 | 0 | 0 | 0 | 112.9 | R155 R161 Y163 | R155-T173 PolarHBondContact NH1-O 2.95Å; R161-T173 HydrophobicContact CG-CG2 3.82Å; Y163-T173 WeakPolarHBondContact CE2-O 3.43Å |
| 174 | Q | 86.2 | Confident | 86.8 | Confident | 65 Ų | 65 | 75.6 Ų | 75.6 | 30% | 0.304 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -135.5 | 147.2 | -176.2 | -54.5 | -175.8 | 27.9 | 0 | 0 | 112.2 | R152 Y163 F172 S177 L178 | R152-Q174 HydrophobicContact CG-CG 4.44Å; Y163-Q174 VanDerWaalsContact CD2-CA 3.5Å; F172-Q174 VanDerWaalsContact C-N 3.34Å; Q174-S177 WeakPolarHBondContact O-CB 3.49Å; Q174-S177 PolarHBondContact O-N 3.05Å; Q174-L178 PolarHBondContact O-N 2.72Å |
| 175 | R | 85.9 | Confident | 87 | Confident | 136 Ų | 136 | 74.2 Ų | 74.2 | 51% | 0.513 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.6 | -44.4 | 178.8 | -178.7 | 179.3 | -75.1 | 157.1 | -5.3 | 112.6 | Y163 S177 L178 E179 | Y163-R175 HydrophobicContact CD1-CB 4.05Å; Y163-R175 HydrophobicContact CE1-CB 3.83Å; Y163-R175 HydrophobicContact CE2-CB 4.4Å; Y163-R175 HydrophobicContact CG-CB 4.43Å; R175-S177 PolarHBondContact O-N 3.45Å; R175-L178 WeakPolarHBondContact O-CB 3.44Å; R175-L178 PolarHBondContact O-N 2.93Å; R175-L178 VanDerWaalsContact O-N 3.08Å; R175-E179 PolarHBondContact O-N 3.4Å |
| 176 | C | 84.7 | Confident | 86.9 | Confident | 67 Ų | 67 | 76.9 Ų | 76.9 | 45% | 0.453 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.2 | -31.5 | 179 | 54.5 | 0 | 0 | 0 | 0 | 112.6 | S180 | C176-S180 VanDerWaalsContact O-CB 3.32Å; C176-S180 WeakPolarHBondContact O-CB 3.36Å; C176-S180 PolarHBondContact O-N 3.21Å; C176-S180 PolarHBondContact O-OG 2.82Å |
| 177 | S | 89.1 | Confident | 86.8 | Confident | 44 Ų | 44 | 71.4 Ų | 71.4 | 31% | 0.308 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -68.8 | -43.4 | 173.6 | -52.6 | 0 | 0 | 0 | 0 | 111.5 | Q174 R175 S180 H181 | Q174-S177 WeakPolarHBondContact O-CB 3.49Å; Q174-S177 PolarHBondContact O-N 3.05Å; R175-S177 PolarHBondContact O-N 3.45Å; S177-S180 PolarHBondContact O-N 3.05Å; S177-H181 VanDerWaalsContact O-CB 3.31Å; S177-H181 WeakPolarHBondContact O-CB 3.38Å; S177-H181 PolarHBondContact O-N 2.94Å |
| 178 | L | 89.1 | Confident | 86.4 | Confident | 10 Ų | 10 | 69.1 Ų | 69.1 | 5% | 0.052 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.8 | -46.8 | 173.1 | 174.1 | 64.8 | 0 | 0 | 0 | 111.1 | C165 F172 Q174 R175 S180 H181 M182 | C165-L178 HydrophobicContact CB-CD1 3.83Å; F172-L178 HydrophobicContact CB-CB 4.35Å; F172-L178 HydrophobicContact CD2-CB 3.9Å; F172-L178 HydrophobicContact CD2-CD1 3.66Å; F172-L178 HydrophobicContact CD2-CG 4.4Å; F172-L178 HydrophobicContact CE2-CD1 3.82Å; F172-L178 HydrophobicContact CG-CB 4.27Å; Q174-L178 PolarHBondContact O-N 2.72Å; R175-L178 WeakPolarHBondContact O-CB 3.44Å; R175-L178 PolarHBondContact O-N 2.93Å; R175-L178 VanDerWaalsContact O-N 3.08Å; L178-S180 PolarHBondContact O-N 3.26Å; L178-H181 CarbonylContact O-C 3.25Å; L178-H181 WeakPolarHBondContact O-CB 3.28Å; L178-H181 PolarHBondContact O-N 3.29Å; L178-H181 VanDerWaalsContact O-N 3.16Å; L178-M182 HydrophobicContact CD1-CE 3.82Å; L178-M182 HydrophobicContact CD1-CG 4.11Å; L178-M182 HydrophobicContact CG-CG 4.34Å; L178-M182 WeakPolarHBondContact O-CB 3.36Å; L178-M182 VanDerWaalsContact O-CG 3.26Å; L178-M182 WeakPolarHBondContact O-CG 3.46Å; L178-M182 PolarHBondContact O-N 3.02Å |
| 179 | E | 87.6 | Confident | 85.5 | Confident | 68 Ų | 68 | 71.5 Ų | 71.5 | 32% | 0.318 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 179.9 | -170.1 | -166.3 | 147.7 | 0 | 0 | 111.9 | R175 H181 M182 R183 | R175-E179 PolarHBondContact O-N 3.4Å; E179-H181 VanDerWaalsContact C-N 3.29Å; E179-H181 PolarHBondContact O-N 3.09Å; E179-M182 PolarHBondContact O-N 2.82Å; E179-R183 WeakPolarHBondContact O-CB 3.5Å; E179-R183 PolarHBondContact O-N 3.39Å; E179-R183 IonicContact OE1-CZ 3.58Å; E179-R183 IonicContact OE1-NH2 2.75Å; E179-R183 PolarHBondContact OE1-NH2 3.02Å |
| 180 | S | 88.6 | Confident | 84.4 | Confident | 47 Ų | 47 | 66.8 Ų | 66.8 | 33% | 0.329 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.8 | -37.7 | 175.1 | -60.8 | 0 | 0 | 0 | 0 | 111.8 | C176 S177 L178 K184 | C176-S180 VanDerWaalsContact O-CB 3.32Å; C176-S180 WeakPolarHBondContact O-CB 3.36Å; C176-S180 PolarHBondContact O-N 3.21Å; C176-S180 PolarHBondContact O-OG 2.82Å; S177-S180 PolarHBondContact O-N 3.05Å; L178-S180 PolarHBondContact O-N 3.26Å; S180-K184 WeakPolarHBondContact O-CB 3.42Å; S180-K184 VanDerWaalsContact O-CG 3.27Å; S180-K184 WeakPolarHBondContact O-CG 3.3Å; S180-K184 PolarHBondContact O-N 3.23Å |
| 181 | H | 89.8 | Confident | 82.8 | Confident | 19 Ų | 19 | 67.4 Ų | 67.4 | 9% | 0.088 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65 | -47.2 | 173.8 | 162.3 | 75.5 | 0 | 0 | 0 | 111.6 | C165 C168 F172 S177 L178 E179 R183 K184 I185 H186 | C165-H181 PolarHBondContact SG-NE2 2.92Å; C165-H181 VanDerWaalsContact SG-NE2 3.35Å; C168-H181 PolarHBondContact SG-CE1 3.02Å; C168-H181 PolarHBondContact SG-NE2 3.1Å; F172-H181 HydrophobicContact CE1-CB 3.96Å; F172-H181 HydrophobicContact CE2-CB 3.94Å; F172-H181 AromaticContact CE2-CD2 3.49Å; F172-H181 VanDerWaalsContact CE2-CD2 3.49Å; F172-H181 WeakPolarHBondContact CE2-CD2 3.31Å; F172-H181 AromaticContact CE2-CG 3.66Å; F172-H181 HydrophobicContact CZ-CB 3.42Å; F172-H181 VanDerWaalsContact CZ-CB 3.42Å; F172-H181 AromaticContact CZ-CD2 3.59Å; F172-H181 AromaticContact CZ-CG 3.25Å; F172-H181 AromaticContact CZ-ND1 3.69Å; S177-H181 VanDerWaalsContact O-CB 3.31Å; S177-H181 WeakPolarHBondContact O-CB 3.38Å; S177-H181 PolarHBondContact O-N 2.94Å; L178-H181 CarbonylContact O-C 3.25Å; L178-H181 WeakPolarHBondContact O-CB 3.28Å; L178-H181 PolarHBondContact O-N 3.29Å; L178-H181 VanDerWaalsContact O-N 3.16Å; E179-H181 VanDerWaalsContact C-N 3.29Å; E179-H181 PolarHBondContact O-N 3.09Å; H181-R183 VanDerWaalsContact C-N 3.3Å; H181-R183 PolarHBondContact O-N 3.25Å; H181-K184 PolarHBondContact O-N 3.01Å; H181-I185 WeakPolarHBondContact ND1-CG1 3.18Å; H181-I185 VanDerWaalsContact O-CB 3.31Å; H181-I185 WeakPolarHBondContact O-CB 3.39Å; H181-I185 WeakPolarHBondContact O-CG1 3.41Å; H181-I185 PolarHBondContact O-N 2.93Å; H181-H186 AromaticContact CE1-NE2 3.73Å; H181-H186 AromaticContact NE2-CD2 3.6Å; H181-H186 AromaticContact NE2-NE2 3.32Å; H181-H186 PolarHBondContact NE2-NE2 2.79Å |
| 182 | M | 86.1 | Confident | 80.9 | Confident | 5 Ų | 5 | 75.5 Ų | 75.5 | 3% | 0.025 | 38% | 0.375 | C | S | . | . | I | π-helix | trans | -58.3 | -44.3 | 177.7 | -73 | -69.8 | -173.8 | 0 | 0 | 111.6 | C165 L167 L178 E179 H186 G187 V188 Q190 | C165-M182 VanDerWaalsContact CA-CE 3.46Å; C165-M182 HydrophobicContact CB-CE 3.65Å; C165-M182 WeakPolarHBondContact SG-CE 3.08Å; L167-M182 HydrophobicContact CD1-SD 4.19Å; L178-M182 HydrophobicContact CD1-CE 3.82Å; L178-M182 HydrophobicContact CD1-CG 4.11Å; L178-M182 HydrophobicContact CG-CG 4.34Å; L178-M182 WeakPolarHBondContact O-CB 3.36Å; L178-M182 VanDerWaalsContact O-CG 3.26Å; L178-M182 WeakPolarHBondContact O-CG 3.46Å; L178-M182 PolarHBondContact O-N 3.02Å; E179-M182 PolarHBondContact O-N 2.82Å; M182-H186 CarbonylContact O-C 3.56Å; M182-H186 WeakPolarHBondContact O-CA 3.41Å; M182-H186 WeakPolarHBondContact O-CB 3.46Å; M182-H186 PolarHBondContact O-N 3.41Å; M182-H186 HydrophobicContact SD-CB 4.46Å; M182-G187 PolarHBondContact O-N 2.9Å; M182-V188 CarbonylContact C-O 3.59Å; M182-V188 VanDerWaalsContact CB-O 3.3Å; M182-V188 WeakPolarHBondContact CB-O 3.46Å; M182-V188 PolarHBondContact O-N 3.5Å; M182-Q190 HydrophobicContact CB-CG 4.23Å; M182-Q190 HydrophobicContact CG-CG 3.93Å |
| 183 | R | 87.3 | Confident | 78.9 | Confident | 88 Ų | 88 | 78.2 Ų | 78.2 | 33% | 0.332 | 40% | 0.403 | S | S | . | . | I | π-helix | trans | -63.5 | -47.3 | 176.5 | -174.1 | -174.9 | -60.6 | 105.4 | 5.6 | 112.5 | E179 H181 G187 V188 H189 | E179-R183 WeakPolarHBondContact O-CB 3.5Å; E179-R183 PolarHBondContact O-N 3.39Å; E179-R183 IonicContact OE1-CZ 3.58Å; E179-R183 IonicContact OE1-NH2 2.75Å; E179-R183 PolarHBondContact OE1-NH2 3.02Å; H181-R183 VanDerWaalsContact C-N 3.3Å; H181-R183 PolarHBondContact O-N 3.25Å; R183-G187 WeakPolarHBondContact O-CA 3.15Å; R183-G187 PolarHBondContact O-N 3.48Å; R183-V188 PolarHBondContact N-O 3.17Å; R183-H189 PolarHBondContact NE-NE2 3.05Å |
| 184 | K | 88 | Confident | 76.8 | Confident | 174 Ų | 174 | 84.9 Ų | 84.9 | 76% | 0.757 | 43% | 0.426 | S | S | * | . | I | π-helix | trans | -79.5 | -36.2 | -172.2 | -72.2 | -178.8 | 179.1 | -170.7 | 0 | 113.9 | S180 H181 | S180-K184 WeakPolarHBondContact O-CB 3.42Å; S180-K184 VanDerWaalsContact O-CG 3.27Å; S180-K184 WeakPolarHBondContact O-CG 3.3Å; S180-K184 PolarHBondContact O-N 3.23Å; H181-K184 PolarHBondContact O-N 3.01Å |
| 185 | I | 90.2 | Very high | 74.8 | Confident | 114 Ų | 114 | 92.2 Ų | 92.2 | 59% | 0.585 | 45% | 0.451 | S | S | * | . | I | π-helix | trans | -99.8 | -40.4 | -171.7 | -56.4 | -55.4 | 0 | 0 | 0 | 111.3 | H181 | H181-I185 WeakPolarHBondContact ND1-CG1 3.18Å; H181-I185 VanDerWaalsContact O-CB 3.31Å; H181-I185 WeakPolarHBondContact O-CB 3.39Å; H181-I185 WeakPolarHBondContact O-CG1 3.41Å; H181-I185 PolarHBondContact O-N 2.93Å |
| 186 | H | 84.1 | Confident | 73.1 | Confident | 58 Ų | 58 | 94.3 Ų | 94.3 | 27% | 0.269 | 47% | 0.466 | S | S | . | . | I | π-helix | trans | -105.2 | -7.2 | -175.2 | -60.7 | -64.8 | 0 | 0 | 0 | 113.1 | C165 L167 C168 H181 M182 V188 | C165-H186 PolarHBondContact SG-NE2 2.67Å; C165-H186 VanDerWaalsContact SG-NE2 3.35Å; L167-H186 HydrophobicContact CD1-CB 3.57Å; C168-H186 PolarHBondContact SG-NE2 2.84Å; H181-H186 AromaticContact CE1-NE2 3.73Å; H181-H186 AromaticContact NE2-CD2 3.6Å; H181-H186 AromaticContact NE2-NE2 3.32Å; H181-H186 PolarHBondContact NE2-NE2 2.79Å; M182-H186 CarbonylContact O-C 3.56Å; M182-H186 WeakPolarHBondContact O-CA 3.41Å; M182-H186 WeakPolarHBondContact O-CB 3.46Å; M182-H186 PolarHBondContact O-N 3.41Å; M182-H186 HydrophobicContact SD-CB 4.46Å; H186-V188 HydrophobicContact CB-CB 4.3Å; H186-V188 HydrophobicContact CB-CG2 3.96Å; H186-V188 PolarHBondContact O-N 2.77Å; H186-V188 VanDerWaalsContact O-N 3.09Å |
| 187 | G | 82.7 | Confident | 71.5 | Confident | 63 Ų | 63 | 100.7 Ų | 100.7 | 65% | 0.649 | 48% | 0.481 | S | S | * | . | trans | 64.1 | 8.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | M182 R183 | M182-G187 PolarHBondContact O-N 2.9Å; R183-G187 WeakPolarHBondContact O-CA 3.15Å; R183-G187 PolarHBondContact O-N 3.48Å | ||
| 188 | V | 75.3 | Confident | 69.9 | Low | 60 Ų | 60 | 109.6 Ų | 109.6 | 36% | 0.364 | 51% | 0.508 | S | S | . | . | trans | -90.1 | 119.7 | -176.3 | 178.2 | 0 | 0 | 0 | 0 | 109.1 | L167 M182 R183 H186 Q190 | L167-V188 HydrophobicContact CD1-CG2 3.91Å; M182-V188 CarbonylContact C-O 3.59Å; M182-V188 VanDerWaalsContact CB-O 3.3Å; M182-V188 WeakPolarHBondContact CB-O 3.46Å; M182-V188 PolarHBondContact O-N 3.5Å; R183-V188 PolarHBondContact N-O 3.17Å; H186-V188 HydrophobicContact CB-CB 4.3Å; H186-V188 HydrophobicContact CB-CG2 3.96Å; H186-V188 PolarHBondContact O-N 2.77Å; H186-V188 VanDerWaalsContact O-N 3.09Å; V188-Q190 PolarHBondContact O-N 2.77Å | ||
| 189 | H | 69.9 | Low | 68.5 | Low | 100 Ų | 100 | 114 Ų | 114 | 46% | 0.463 | 54% | 0.54 | S | S | . | . | trans | -79 | 109.4 | 160.9 | -100.2 | -122.3 | 0 | 0 | 0 | 108.2 | R183 H191 | R183-H189 PolarHBondContact NE-NE2 3.05Å; H189-H191 PolarHBondContact O-N 2.75Å | ||
| 190 | Q | 61.4 | Low | 68.1 | Low | 68 Ų | 68 | 117.2 Ų | 117.2 | 32% | 0.318 | 55% | 0.553 | S | S | . | * | trans | -65.4 | 87.6 | 164.2 | -77 | -172.5 | -18.1 | 0 | 0 | 107.9 | M182 V188 Y192 | M182-Q190 HydrophobicContact CB-CG 4.23Å; M182-Q190 HydrophobicContact CG-CG 3.93Å; V188-Q190 PolarHBondContact O-N 2.77Å; Q190-Y192 VanDerWaalsContact C-N 3.34Å; Q190-Y192 PolarHBondContact O-N 2.66Å | ||
| 191 | H | 52.4 | Low | 67.7 | Low | 144 Ų | 144 | 120.1 Ų | 120.1 | 67% | 0.667 | 56% | 0.563 | S | S | * | * | trans | -66.4 | 95.2 | 172.5 | -97.2 | -95.6 | 0 | 0 | 0 | 108.2 | H189 A193 | H189-H191 PolarHBondContact O-N 2.75Å; H191-A193 PolarHBondContact O-N 3.08Å | ||
| 192 | Y | 47.8 | Very low | 67.3 | Low | 192 Ų | 192 | 120.7 Ų | 120.7 | 75% | 0.753 | 57% | 0.565 | S | S | * | * | trans | -60 | 122.1 | 153.2 | -164.6 | -92.5 | 0 | 0 | 0 | 105.7 | Q190 Y194 | Q190-Y192 VanDerWaalsContact C-N 3.34Å; Q190-Y192 PolarHBondContact O-N 2.66Å; Y192-Y194 PolarHBondContact O-N 3.02Å | ||
| 193 | A | 45.3 | Very low | 67.3 | Low | 87 Ų | 87 | 124 Ų | 124 | 72% | 0.719 | 59% | 0.585 | S | S | * | * | trans | -59.2 | 81.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | H191 R195 | H191-A193 PolarHBondContact O-N 3.08Å; A193-R195 PolarHBondContact O-N 3.34Å | ||
| 194 | Y | 41.4 | Very low | 67.2 | Low | 173 Ų | 173 | 119.8 Ų | 119.8 | 68% | 0.678 | 57% | 0.57 | S | S | * | * | trans | -79.7 | 106.9 | 143.1 | -162.4 | -97.7 | 0 | 0 | 0 | 104.7 | Y192 Q196 | Y192-Y194 PolarHBondContact O-N 3.02Å; Y194-Q196 PolarHBondContact O-N 3.15Å | ||
| 195 | R | 45 | Very low | 66.9 | Low | 220 Ų | 220 | 119.7 Ų | 119.7 | 83% | 0.83 | 57% | 0.572 | S | S | * | * | trans | -39.4 | 126 | 178.7 | -69.5 | -179.7 | 177.8 | 118 | -2.2 | 109 | A193 R197 | A193-R195 PolarHBondContact O-N 3.34Å; R195-R197 VanDerWaalsContact C-N 3.27Å; R195-R197 PolarHBondContact O-N 2.85Å | ||
| 196 | Q | 48.9 | Very low | 66.5 | Low | 180 Ų | 180 | 118.3 Ų | 118.3 | 84% | 0.841 | 57% | 0.566 | S | S | * | * | trans | -51.6 | 97.6 | 163.9 | -65 | 170.2 | 8.8 | 0 | 0 | 106.9 | Y194 R198 | Y194-Q196 PolarHBondContact O-N 3.15Å; Q196-R198 VanDerWaalsContact C-N 3.31Å; Q196-R198 PolarHBondContact O-N 3Å | ||
| 197 | R | 51.4 | Low | 66.7 | Low | 201 Ų | 201 | 118.7 Ų | 118.7 | 76% | 0.758 | 58% | 0.575 | S | S | * | * | trans | -63.3 | 109.3 | 153.4 | -75.9 | -176.3 | 179.7 | 153.9 | -0.1 | 102.2 | R195 S199 | R195-R197 VanDerWaalsContact C-N 3.27Å; R195-R197 PolarHBondContact O-N 2.85Å; R197-S199 PolarHBondContact O-N 3.16Å; R197-S199 VanDerWaalsContact O-N 3.08Å | ||
| 198 | R | 55.2 | Low | 66.8 | Low | 231 Ų | 231 | 117.9 Ų | 117.9 | 87% | 0.872 | 57% | 0.566 | S | S | * | * | trans | -27.3 | 120.6 | 167.8 | -80.1 | 169 | 114.9 | 92.1 | -6 | 107.2 | Q196 K200 | Q196-R198 VanDerWaalsContact C-N 3.31Å; Q196-R198 PolarHBondContact O-N 3Å; R198-K200 VanDerWaalsContact C-N 3.26Å; R198-K200 WeakPolarHBondContact O-CA 3.03Å; R198-K200 PolarHBondContact O-N 3.05Å | ||
| 199 | S | 61.1 | Low | 67.4 | Low | 103 Ų | 103 | 119.1 Ų | 119.1 | 72% | 0.72 | 57% | 0.565 | S | S | * | * | trans | -46.9 | 97.1 | -180 | -54.6 | 0 | 0 | 0 | 0 | 107.9 | R197 I201 | R197-S199 PolarHBondContact O-N 3.16Å; R197-S199 VanDerWaalsContact O-N 3.08Å; S199-I201 PolarHBondContact O-N 3.28Å | ||
| 200 | K | 77.6 | Confident | 68.1 | Low | 135 Ų | 135 | 118.3 Ų | 118.3 | 59% | 0.587 | 57% | 0.567 | S | S | * | * | trans | -76.1 | 105.2 | -172 | -179.1 | 177.5 | 178.5 | 178.1 | 0 | 103.9 | R198 F202 | R198-K200 VanDerWaalsContact C-N 3.26Å; R198-K200 WeakPolarHBondContact O-CA 3.03Å; R198-K200 PolarHBondContact O-N 3.05Å; K200-F202 HydrophobicContact CB-CE2 4.48Å; K200-F202 HydrophobicContact CD-CE1 4.49Å; K200-F202 HydrophobicContact CD-CZ 4.45Å; K200-F202 WeakPolarHBondContact O-CD2 3.2Å; K200-F202 WeakPolarHBondContact O-CE2 3.21Å; K200-F202 PolarHBondContact O-N 2.82Å | ||
| 201 | I | 81 | Confident | 69.2 | Low | 107 Ų | 107 | 115.4 Ų | 115.4 | 55% | 0.549 | 55% | 0.554 | S | S | . | * | trans | -68.6 | 119 | 172.8 | -59.3 | 172.2 | 0 | 0 | 0 | 105.8 | S199 V203 T210 | S199-I201 PolarHBondContact O-N 3.28Å; I201-V203 HydrophobicContact CG2-CG2 4.26Å; I201-T210 HydrophobicContact CG2-CG2 4.45Å | ||
| 202 | F | 81.3 | Confident | 70.5 | Confident | 31 Ų | 31 | 112.3 Ų | 112.3 | 14% | 0.136 | 55% | 0.549 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 125.3 | 173.4 | -63.4 | -95.5 | 0 | 0 | 0 | 107.4 | K200 T210 S211 P214 Y217 | K200-F202 HydrophobicContact CB-CE2 4.48Å; K200-F202 HydrophobicContact CD-CE1 4.49Å; K200-F202 HydrophobicContact CD-CZ 4.45Å; K200-F202 WeakPolarHBondContact O-CD2 3.2Å; K200-F202 WeakPolarHBondContact O-CE2 3.21Å; K200-F202 PolarHBondContact O-N 2.82Å; F202-T210 CarbonylContact O-C 3.42Å; F202-T210 VanDerWaalsContact O-CA 3.26Å; F202-T210 WeakPolarHBondContact O-CA 3.45Å; F202-S211 PolarHBondContact N-O 3.01Å; F202-S211 PolarHBondContact O-N 3.35Å; F202-P214 HydrophobicContact CD2-CB 4.48Å; F202-P214 HydrophobicContact CD2-CG 4.46Å; F202-P214 HydrophobicContact CE2-CB 3.85Å; F202-P214 HydrophobicContact CE2-CG 3.55Å; F202-P214 HydrophobicContact CZ-CB 3.86Å; F202-P214 HydrophobicContact CZ-CG 3.79Å; F202-Y217 HydrophobicContact CB-CD1 3.86Å; F202-Y217 HydrophobicContact CB-CD2 3.53Å; F202-Y217 HydrophobicContact CB-CE1 4.33Å; F202-Y217 HydrophobicContact CB-CE2 4.02Å; F202-Y217 HydrophobicContact CB-CG 3.41Å; F202-Y217 VanDerWaalsContact CB-CG 3.41Å; F202-Y217 HydrophobicContact CD1-CD1 4.01Å; F202-Y217 HydrophobicContact CD1-CE1 4.29Å; F202-Y217 HydrophobicContact CD1-CG 4.41Å; F202-Y217 HydrophobicContact CG-CD1 4.16Å; F202-Y217 HydrophobicContact CG-CG 4.09Å |
| 203 | V | 85.9 | Confident | 72 | Confident | 74 Ų | 74 | 108.9 Ų | 108.9 | 45% | 0.448 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 131 | 178.5 | -175.4 | 0 | 0 | 0 | 0 | 107.7 | I201 Y209 T210 Y217 | I201-V203 HydrophobicContact CG2-CG2 4.26Å; V203-Y209 CarbonylContact C-O 3.13Å; V203-Y209 WeakPolarHBondContact CA-O 3.02Å; V203-T210 HydrophobicContact CB-CG2 4.35Å; V203-T210 HydrophobicContact CG1-CG2 4.09Å; V203-T210 HydrophobicContact CG2-CG2 3.85Å; V203-Y217 WeakPolarHBondContact O-CE2 3.39Å; V203-Y217 PolarHBondContact O-OH 3.08Å |
| 204 | C | 85.6 | Confident | 73.7 | Confident | 1 Ų | 1 | 107.6 Ų | 107.6 | 1% | 0.007 | 52% | 0.518 | C | S | . | . | trans | -79.6 | 120.8 | 174 | -177 | 0 | 0 | 0 | 0 | 108.1 | D206 C207 G208 Y209 Y217 | C204-D206 PolarHBondContact O-N 3.37Å; C204-C207 VanDerWaalsContact SG-SG 3.62Å; C204-G208 WeakPolarHBondContact O-CA 3.12Å; C204-G208 PolarHBondContact O-N 2.99Å; C204-Y209 PolarHBondContact N-O 3.13Å; C204-Y217 HydrophobicContact CB-CE2 3.98Å | ||
| 205 | E | 81.8 | Confident | 75.5 | Confident | 172 Ų | 172 | 103.5 Ų | 103.5 | 80% | 0.804 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -21.3 | -179.4 | -66 | 173.8 | -177.8 | 0 | 0 | 111.8 | ||
| 206 | D | 82.1 | Confident | 77.3 | Confident | 84 Ų | 84 | 96.8 Ų | 96.8 | 45% | 0.449 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -25.6 | -177 | -58.8 | -49.3 | 0 | 0 | 0 | 113.3 | C204 H225 S228 | C204-D206 PolarHBondContact O-N 3.37Å; D206-H225 HydrophobicContact CB-CB 4.43Å; D206-H225 IonicContact OD2-CG 3.88Å; D206-S228 WeakPolarHBondContact OD2-CB 3.19Å; D206-S228 PolarHBondContact OD2-OG 3.44Å |
| 207 | C | 87 | Confident | 79.1 | Confident | 67 Ų | 67 | 89.2 Ų | 89.2 | 45% | 0.453 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143.3 | -1.4 | -177.7 | 71.3 | 0 | 0 | 0 | 0 | 115.9 | C204 Y209 H220 H225 | C204-C207 VanDerWaalsContact SG-SG 3.62Å; C207-Y209 VanDerWaalsContact C-N 3.28Å; C207-Y209 PolarHBondContact O-N 3.48Å; C207-Y209 VanDerWaalsContact SG-CB 3.59Å; C207-H220 PolarHBondContact SG-CE1 3.22Å; C207-H220 PolarHBondContact SG-NE2 3.38Å; C207-H225 WeakPolarHBondContact CB-NE2 3.2Å; C207-H225 PolarHBondContact SG-NE2 3.2Å |
| 208 | G | 84.6 | Confident | 80.7 | Confident | 45 Ų | 45 | 81.5 Ų | 81.5 | 46% | 0.464 | 42% | 0.422 | S | S | . | . | trans | 77.3 | 3.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | C204 T210 | C204-G208 WeakPolarHBondContact O-CA 3.12Å; C204-G208 PolarHBondContact O-N 2.99Å; G208-T210 WeakPolarHBondContact O-CG2 3.39Å; G208-T210 PolarHBondContact O-N 3.24Å | ||
| 209 | Y | 89.3 | Confident | 82.2 | Confident | 87 Ų | 87 | 74.9 Ų | 74.9 | 34% | 0.341 | 40% | 0.404 | S | S | . | . | trans | -57.7 | 131.6 | 176.2 | 176 | -101.7 | 0 | 0 | 0 | 111.4 | V203 C204 C207 H220 | V203-Y209 CarbonylContact C-O 3.13Å; V203-Y209 WeakPolarHBondContact CA-O 3.02Å; C204-Y209 PolarHBondContact N-O 3.13Å; C207-Y209 VanDerWaalsContact C-N 3.28Å; C207-Y209 PolarHBondContact O-N 3.48Å; C207-Y209 VanDerWaalsContact SG-CB 3.59Å; Y209-H220 HydrophobicContact CD1-CB 3.92Å; Y209-H220 AromaticContact CD1-CD2 3.53Å; Y209-H220 AromaticContact CD1-CG 3.5Å; Y209-H220 VanDerWaalsContact CD1-CG 3.5Å; Y209-H220 AromaticContact CD1-ND1 3.97Å; Y209-H220 HydrophobicContact CE1-CB 3.83Å; Y209-H220 AromaticContact CE1-CG 3.92Å; Y209-H220 AromaticContact CG-CD2 3.92Å; Y209-H220 AromaticContact CG-CE1 3.91Å; Y209-H220 AromaticContact CG-CG 3.89Å; Y209-H220 AromaticContact CG-ND1 3.88Å; Y209-H220 AromaticContact CG-NE2 3.95Å | ||
| 210 | T | 84.6 | Confident | 83.5 | Confident | 82 Ų | 82 | 71.3 Ų | 71.3 | 50% | 0.503 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 136.4 | 179.6 | 68.7 | 0 | 0 | 0 | 0 | 111.4 | I201 F202 V203 G208 | I201-T210 HydrophobicContact CG2-CG2 4.45Å; F202-T210 CarbonylContact O-C 3.42Å; F202-T210 VanDerWaalsContact O-CA 3.26Å; F202-T210 WeakPolarHBondContact O-CA 3.45Å; V203-T210 HydrophobicContact CB-CG2 4.35Å; V203-T210 HydrophobicContact CG1-CG2 4.09Å; V203-T210 HydrophobicContact CG2-CG2 3.85Å; G208-T210 WeakPolarHBondContact O-CG2 3.39Å; G208-T210 PolarHBondContact O-N 3.24Å |
| 211 | S | 83.3 | Confident | 83.9 | Confident | 7 Ų | 7 | 64.9 Ų | 64.9 | 5% | 0.049 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 142.1 | 169.4 | -179 | 0 | 0 | 0 | 0 | 111.2 | F202 R213 E216 | F202-S211 PolarHBondContact N-O 3.01Å; F202-S211 PolarHBondContact O-N 3.35Å; S211-R213 PolarHBondContact OG-N 2.91Å; S211-R213 PolarHBondContact OG-O 3.27Å; S211-R213 VanDerWaalsContact OG-O 3.13Å; S211-E216 PolarHBondContact OG-OE2 3.03Å |
| 212 | S | 80 | Confident | 84.2 | Confident | 80 Ų | 80 | 67.9 Ų | 67.9 | 56% | 0.559 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -81.1 | -9.5 | 170.7 | 60.6 | 0 | 0 | 0 | 0 | 112.3 | ||
| 213 | R | 79.1 | Confident | 84.5 | Confident | 120 Ų | 120 | 72.5 Ų | 72.5 | 45% | 0.453 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -110.6 | 118 | -176.9 | -71.3 | 178 | 59 | 79.5 | 9.4 | 110 | S211 D215 E216 Y217 | S211-R213 PolarHBondContact OG-N 2.91Å; S211-R213 PolarHBondContact OG-O 3.27Å; S211-R213 VanDerWaalsContact OG-O 3.13Å; R213-D215 VanDerWaalsContact C-N 3.3Å; R213-D215 WeakPolarHBondContact CB-OD1 3.49Å; R213-D215 IonicContact CZ-OD1 3.86Å; R213-D215 IonicContact CZ-OD2 3.75Å; R213-D215 IonicContact NE-OD1 3.87Å; R213-D215 IonicContact NE-OD2 3.75Å; R213-D215 IonicContact NH2-OD1 3.6Å; R213-D215 IonicContact NH2-OD2 3.87Å; R213-D215 PolarHBondContact NH2-OD2 3.38Å; R213-D215 PolarHBondContact O-N 2.95Å; R213-E216 HydrophobicContact CB-CB 4.27Å; R213-E216 HydrophobicContact CB-CG 4.16Å; R213-E216 WeakPolarHBondContact CD-OE1 3.26Å; R213-E216 IonicContact NE-OE1 3Å; R213-E216 PolarHBondContact NE-OE1 3.31Å; R213-E216 PolarHBondContact O-N 2.98Å; R213-Y217 PolarHBondContact O-N 3.45Å |
| 214 | P | 82.1 | Confident | 84.5 | Confident | 59 Ų | 59 | 74.9 Ų | 74.9 | 38% | 0.383 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.5 | -38 | -177.1 | -15.9 | 22.5 | 0 | 0 | 0 | 113.3 | F202 E216 Y217 F218 | F202-P214 HydrophobicContact CD2-CB 4.48Å; F202-P214 HydrophobicContact CD2-CG 4.46Å; F202-P214 HydrophobicContact CE2-CB 3.85Å; F202-P214 HydrophobicContact CE2-CG 3.55Å; F202-P214 HydrophobicContact CZ-CB 3.86Å; F202-P214 HydrophobicContact CZ-CG 3.79Å; P214-E216 PolarHBondContact O-N 3.05Å; P214-Y217 PolarHBondContact O-N 2.95Å; P214-F218 HydrophobicContact CB-CD2 4.39Å; P214-F218 HydrophobicContact CB-CE2 4.26Å; P214-F218 WeakPolarHBondContact O-CD2 3.45Å; P214-F218 PolarHBondContact O-N 3.44Å |
| 215 | D | 78.1 | Confident | 84.6 | Confident | 88 Ų | 88 | 76.8 Ų | 76.8 | 47% | 0.471 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 179.7 | 48.3 | -49.5 | 0 | 0 | 0 | 112.4 | R213 L219 | R213-D215 VanDerWaalsContact C-N 3.3Å; R213-D215 WeakPolarHBondContact CB-OD1 3.49Å; R213-D215 IonicContact CZ-OD1 3.86Å; R213-D215 IonicContact CZ-OD2 3.75Å; R213-D215 IonicContact NE-OD1 3.87Å; R213-D215 IonicContact NE-OD2 3.75Å; R213-D215 IonicContact NH2-OD1 3.6Å; R213-D215 IonicContact NH2-OD2 3.87Å; R213-D215 PolarHBondContact NH2-OD2 3.38Å; R213-D215 PolarHBondContact O-N 2.95Å; D215-L219 WeakPolarHBondContact O-CB 3.41Å; D215-L219 PolarHBondContact O-N 3.35Å |
| 216 | E | 83 | Confident | 84.4 | Confident | 79 Ų | 79 | 73 Ų | 73 | 37% | 0.369 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -69.1 | -42.5 | 177.7 | -70.4 | 171.8 | -170 | 0 | 0 | 111.8 | S211 R213 P214 L219 H220 | S211-E216 PolarHBondContact OG-OE2 3.03Å; R213-E216 HydrophobicContact CB-CB 4.27Å; R213-E216 HydrophobicContact CB-CG 4.16Å; R213-E216 WeakPolarHBondContact CD-OE1 3.26Å; R213-E216 IonicContact NE-OE1 3Å; R213-E216 PolarHBondContact NE-OE1 3.31Å; R213-E216 PolarHBondContact O-N 2.98Å; P214-E216 PolarHBondContact O-N 3.05Å; E216-L219 PolarHBondContact O-N 2.77Å; E216-H220 WeakPolarHBondContact O-CB 3.35Å; E216-H220 PolarHBondContact O-N 2.95Å |
| 217 | Y | 86.4 | Confident | 84.4 | Confident | 20 Ų | 20 | 75.1 Ų | 75.1 | 8% | 0.078 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -58.3 | -50.7 | 175.5 | 170.9 | -100.9 | 0 | 0 | 0 | 112.1 | F202 V203 C204 R213 P214 L219 H220 V221 | F202-Y217 HydrophobicContact CB-CD1 3.86Å; F202-Y217 HydrophobicContact CB-CD2 3.53Å; F202-Y217 HydrophobicContact CB-CE1 4.33Å; F202-Y217 HydrophobicContact CB-CE2 4.02Å; F202-Y217 HydrophobicContact CB-CG 3.41Å; F202-Y217 VanDerWaalsContact CB-CG 3.41Å; F202-Y217 HydrophobicContact CD1-CD1 4.01Å; F202-Y217 HydrophobicContact CD1-CE1 4.29Å; F202-Y217 HydrophobicContact CD1-CG 4.41Å; F202-Y217 HydrophobicContact CG-CD1 4.16Å; F202-Y217 HydrophobicContact CG-CG 4.09Å; V203-Y217 WeakPolarHBondContact O-CE2 3.39Å; V203-Y217 PolarHBondContact O-OH 3.08Å; C204-Y217 HydrophobicContact CB-CE2 3.98Å; R213-Y217 PolarHBondContact O-N 3.45Å; P214-Y217 PolarHBondContact O-N 2.95Å; Y217-L219 VanDerWaalsContact C-N 3.34Å; Y217-L219 PolarHBondContact O-N 3.37Å; Y217-H220 WeakPolarHBondContact O-CB 3.17Å; Y217-H220 PolarHBondContact O-N 3.1Å; Y217-V221 HydrophobicContact CD2-CG2 4.31Å; Y217-V221 HydrophobicContact CE1-CG2 4.12Å; Y217-V221 HydrophobicContact CE2-CG2 3.89Å; Y217-V221 WeakPolarHBondContact O-CG2 3.09Å; Y217-V221 PolarHBondContact O-N 3.1Å |
| 218 | F | 84.9 | Confident | 83.9 | Confident | 40 Ų | 40 | 72.3 Ų | 72.3 | 18% | 0.175 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -69.5 | -31.6 | -178.9 | -71.7 | -64 | 0 | 0 | 0 | 112.6 | P214 R222 L231 Y234 | P214-F218 HydrophobicContact CB-CD2 4.39Å; P214-F218 HydrophobicContact CB-CE2 4.26Å; P214-F218 WeakPolarHBondContact O-CD2 3.45Å; P214-F218 PolarHBondContact O-N 3.44Å; F218-R222 WeakPolarHBondContact O-CB 3.39Å; F218-R222 VanDerWaalsContact O-CG 3.26Å; F218-R222 WeakPolarHBondContact O-CG 3.35Å; F218-R222 PolarHBondContact O-N 3.19Å; F218-L231 HydrophobicContact CD1-CD2 4.39Å; F218-Y234 HydrophobicContact CE1-CD2 4.04Å; F218-Y234 HydrophobicContact CE2-CD2 4.44Å; F218-Y234 AromaticContact CZ-CD2 3.49Å; F218-Y234 HydrophobicContact CZ-CD2 3.49Å; F218-Y234 VanDerWaalsContact CZ-CD2 3.49Å; F218-Y234 AromaticContact CZ-CE2 3.8Å; F218-Y234 HydrophobicContact CZ-CE2 3.8Å; F218-Y234 HydrophobicContact CZ-CG 4.14Å |
| 219 | L | 87 | Confident | 83.3 | Confident | 92 Ų | 92 | 74 Ų | 74 | 48% | 0.482 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.9 | -46.9 | 172.6 | -175.4 | 65.2 | 0 | 0 | 0 | 111 | D215 E216 Y217 R222 Q223 | D215-L219 WeakPolarHBondContact O-CB 3.41Å; D215-L219 PolarHBondContact O-N 3.35Å; E216-L219 PolarHBondContact O-N 2.77Å; Y217-L219 VanDerWaalsContact C-N 3.34Å; Y217-L219 PolarHBondContact O-N 3.37Å; L219-R222 PolarHBondContact O-N 2.84Å; L219-Q223 HydrophobicContact CD1-CG 4.37Å; L219-Q223 WeakPolarHBondContact O-CB 3.26Å; L219-Q223 WeakPolarHBondContact O-CG 3.45Å; L219-Q223 PolarHBondContact O-N 3.48Å |
| 220 | H | 89.1 | Confident | 82.1 | Confident | 27 Ų | 27 | 70.8 Ų | 70.8 | 13% | 0.125 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -56.8 | -51.1 | 175 | 162.5 | 82.4 | 0 | 0 | 0 | 111.5 | C207 Y209 E216 Y217 R222 Q223 H224 H225 | C207-H220 PolarHBondContact SG-CE1 3.22Å; C207-H220 PolarHBondContact SG-NE2 3.38Å; Y209-H220 HydrophobicContact CD1-CB 3.92Å; Y209-H220 AromaticContact CD1-CD2 3.53Å; Y209-H220 AromaticContact CD1-CG 3.5Å; Y209-H220 VanDerWaalsContact CD1-CG 3.5Å; Y209-H220 AromaticContact CD1-ND1 3.97Å; Y209-H220 HydrophobicContact CE1-CB 3.83Å; Y209-H220 AromaticContact CE1-CG 3.92Å; Y209-H220 AromaticContact CG-CD2 3.92Å; Y209-H220 AromaticContact CG-CE1 3.91Å; Y209-H220 AromaticContact CG-CG 3.89Å; Y209-H220 AromaticContact CG-ND1 3.88Å; Y209-H220 AromaticContact CG-NE2 3.95Å; E216-H220 WeakPolarHBondContact O-CB 3.35Å; E216-H220 PolarHBondContact O-N 2.95Å; Y217-H220 WeakPolarHBondContact O-CB 3.17Å; Y217-H220 PolarHBondContact O-N 3.1Å; H220-R222 VanDerWaalsContact C-N 3.31Å; H220-R222 PolarHBondContact O-N 3.1Å; H220-Q223 PolarHBondContact O-N 3.42Å; H220-H224 AromaticContact ND1-CD2 3.7Å; H220-H224 PolarHBondContact O-N 2.91Å; H220-H225 AromaticContact NE2-CD2 3.63Å; H220-H225 AromaticContact NE2-NE2 3.79Å |
| 221 | V | 86.6 | Confident | 81.2 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.1 | -39.5 | 179.7 | 178.8 | 0 | 0 | 0 | 0 | 110.8 | Y217 Q223 H225 A230 L231 | Y217-V221 HydrophobicContact CD2-CG2 4.31Å; Y217-V221 HydrophobicContact CE1-CG2 4.12Å; Y217-V221 HydrophobicContact CE2-CG2 3.89Å; Y217-V221 WeakPolarHBondContact O-CG2 3.09Å; Y217-V221 PolarHBondContact O-N 3.1Å; V221-Q223 PolarHBondContact O-N 3.3Å; V221-H225 HydrophobicContact CG1-CB 4.23Å; V221-H225 CarbonylContact O-C 3.57Å; V221-H225 WeakPolarHBondContact O-CA 3.48Å; V221-H225 PolarHBondContact O-N 3.49Å; V221-A230 HydrophobicContact CG1-CB 4.29Å; V221-L231 HydrophobicContact CB-CD2 4.08Å; V221-L231 HydrophobicContact CG1-CD1 4.16Å; V221-L231 HydrophobicContact CG1-CD2 3.69Å; V221-L231 HydrophobicContact CG1-CG 3.68Å |
| 222 | R | 87.5 | Confident | 80.3 | Confident | 171 Ų | 171 | 79.1 Ų | 79.1 | 65% | 0.645 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -65.3 | -37.9 | 176.8 | -76.8 | 178.3 | -172.6 | 172.5 | 3 | 113.6 | F218 L219 H220 L231 | F218-R222 WeakPolarHBondContact O-CB 3.39Å; F218-R222 VanDerWaalsContact O-CG 3.26Å; F218-R222 WeakPolarHBondContact O-CG 3.35Å; F218-R222 PolarHBondContact O-N 3.19Å; L219-R222 PolarHBondContact O-N 2.84Å; H220-R222 VanDerWaalsContact C-N 3.31Å; H220-R222 PolarHBondContact O-N 3.1Å; R222-L231 HydrophobicContact CG-CD1 4.04Å; R222-L231 HydrophobicContact CG-CD2 3.6Å; R222-L231 HydrophobicContact CG-CG 4.5Å |
| 223 | Q | 87.6 | Confident | 79.1 | Confident | 127 Ų | 127 | 84.3 Ų | 84.3 | 59% | 0.593 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -81.3 | -39.4 | -175.9 | -72.8 | 177.5 | -17.3 | 0 | 0 | 112.5 | L219 H220 V221 | L219-Q223 HydrophobicContact CD1-CG 4.37Å; L219-Q223 WeakPolarHBondContact O-CB 3.26Å; L219-Q223 WeakPolarHBondContact O-CG 3.45Å; L219-Q223 PolarHBondContact O-N 3.48Å; H220-Q223 PolarHBondContact O-N 3.42Å; V221-Q223 PolarHBondContact O-N 3.3Å |
| 224 | H | 85.7 | Confident | 77.5 | Confident | 125 Ų | 125 | 89.2 Ų | 89.2 | 58% | 0.579 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -105.1 | -24.2 | -173.1 | -65.2 | -77.9 | 0 | 0 | 0 | 113.7 | H220 | H220-H224 AromaticContact ND1-CD2 3.7Å; H220-H224 PolarHBondContact O-N 2.91Å |
| 225 | H | 86.4 | Confident | 77.3 | Confident | 41 Ų | 41 | 90.7 Ų | 90.7 | 19% | 0.19 | 42% | 0.424 | C | S | . | . | trans | -135 | 60.3 | -177.2 | -53.8 | -66.6 | 0 | 0 | 0 | 112.3 | D206 C207 H220 V221 T227 S228 | D206-H225 HydrophobicContact CB-CB 4.43Å; D206-H225 IonicContact OD2-CG 3.88Å; C207-H225 WeakPolarHBondContact CB-NE2 3.2Å; C207-H225 PolarHBondContact SG-NE2 3.2Å; H220-H225 AromaticContact NE2-CD2 3.63Å; H220-H225 AromaticContact NE2-NE2 3.79Å; V221-H225 HydrophobicContact CG1-CB 4.23Å; V221-H225 CarbonylContact O-C 3.57Å; V221-H225 WeakPolarHBondContact O-CA 3.48Å; V221-H225 PolarHBondContact O-N 3.49Å; H225-T227 PolarHBondContact O-N 2.67Å; H225-T227 VanDerWaalsContact O-N 3.1Å; H225-S228 WeakPolarHBondContact O-CB 3.4Å; H225-S228 PolarHBondContact O-N 2.93Å | ||
| 226 | P | 78.8 | Confident | 77.3 | Confident | 93 Ų | 93 | 90.8 Ų | 90.8 | 60% | 0.604 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -18.9 | -171.2 | 26.5 | -36 | 0 | 0 | 0 | 114.4 | ||
| 227 | T | 80.9 | Confident | 76.9 | Confident | 127 Ų | 127 | 91.5 Ų | 91.5 | 78% | 0.779 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -3 | 175.5 | 52.4 | 0 | 0 | 0 | 0 | 113.2 | H225 | H225-T227 PolarHBondContact O-N 2.67Å; H225-T227 VanDerWaalsContact O-N 3.1Å |
| 228 | S | 77.6 | Confident | 76.4 | Confident | 8 Ų | 8 | 95.7 Ų | 95.7 | 6% | 0.056 | 45% | 0.445 | C | S | . | . | trans | -59.1 | 134.2 | -173.3 | -172.2 | 0 | 0 | 0 | 0 | 112 | D206 H225 A230 L231 | D206-S228 WeakPolarHBondContact OD2-CB 3.19Å; D206-S228 PolarHBondContact OD2-OG 3.44Å; H225-S228 WeakPolarHBondContact O-CB 3.4Å; H225-S228 PolarHBondContact O-N 2.93Å; S228-A230 PolarHBondContact O-N 3.1Å; S228-A230 VanDerWaalsContact O-N 3.1Å; S228-A230 PolarHBondContact OG-N 3.31Å; S228-L231 PolarHBondContact O-N 3.37Å | ||
| 229 | P | 70.6 | Confident | 75.8 | Confident | 82 Ų | 82 | 99.2 Ų | 99.2 | 53% | 0.532 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -58.5 | -22.6 | 174.7 | -21.5 | 31.9 | 0 | 0 | 0 | 113.3 | L231 R232 | P229-L231 PolarHBondContact O-N 2.82Å; P229-R232 PolarHBondContact O-N 2.99Å; P229-R232 VanDerWaalsContact O-N 3.08Å |
| 230 | A | 64.6 | Low | 75.1 | Confident | 18 Ų | 18 | 99.7 Ų | 99.7 | 15% | 0.149 | 46% | 0.461 | C | S | . | . | G | 310 helix | trans | -59.6 | -25.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V221 S228 R232 | V221-A230 HydrophobicContact CG1-CB 4.29Å; S228-A230 PolarHBondContact O-N 3.1Å; S228-A230 VanDerWaalsContact O-N 3.1Å; S228-A230 PolarHBondContact OG-N 3.31Å; A230-R232 VanDerWaalsContact C-N 3.29Å; A230-R232 PolarHBondContact O-N 3.38Å |
| 231 | L | 65.6 | Low | 74.1 | Confident | 49 Ų | 49 | 104.9 Ų | 104.9 | 26% | 0.257 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -78.3 | -8.5 | 178.2 | -61.2 | 178 | 0 | 0 | 0 | 114.1 | F218 V221 R222 S228 P229 | F218-L231 HydrophobicContact CD1-CD2 4.39Å; V221-L231 HydrophobicContact CB-CD2 4.08Å; V221-L231 HydrophobicContact CG1-CD1 4.16Å; V221-L231 HydrophobicContact CG1-CD2 3.69Å; V221-L231 HydrophobicContact CG1-CG 3.68Å; R222-L231 HydrophobicContact CG-CD1 4.04Å; R222-L231 HydrophobicContact CG-CD2 3.6Å; R222-L231 HydrophobicContact CG-CG 4.5Å; S228-L231 PolarHBondContact O-N 3.37Å; P229-L231 PolarHBondContact O-N 2.82Å |
| 232 | R | 63.9 | Low | 73.1 | Confident | 215 Ų | 215 | 112.9 Ų | 112.9 | 81% | 0.811 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -98.9 | -6.4 | -178.1 | -57.8 | -172.3 | -167.2 | -150.4 | 4 | 114.3 | P229 A230 | P229-R232 PolarHBondContact O-N 2.99Å; P229-R232 VanDerWaalsContact O-N 3.08Å; A230-R232 VanDerWaalsContact C-N 3.29Å; A230-R232 PolarHBondContact O-N 3.38Å |
| 233 | R | 56.4 | Low | 71.9 | Confident | 189 Ų | 189 | 108.1 Ų | 108.1 | 71% | 0.713 | 51% | 0.511 | S | S | * | . | trans | -97 | 5.5 | -173.1 | -75.1 | -175.7 | 179 | 147.3 | -1.1 | 114.6 | ||||
| 234 | Y | 45.3 | Very low | 70.5 | Confident | 223 Ų | 223 | 106.4 Ų | 106.4 | 88% | 0.875 | 50% | 0.504 | S | S | * | . | trans | -140.9 | 0 | 177.1 | -76.3 | -85.1 | 0 | 0 | 0 | 111.8 | F218 | F218-Y234 HydrophobicContact CE1-CD2 4.04Å; F218-Y234 HydrophobicContact CE2-CD2 4.44Å; F218-Y234 AromaticContact CZ-CD2 3.49Å; F218-Y234 HydrophobicContact CZ-CD2 3.49Å; F218-Y234 VanDerWaalsContact CZ-CD2 3.49Å; F218-Y234 AromaticContact CZ-CE2 3.8Å; F218-Y234 HydrophobicContact CZ-CE2 3.8Å; F218-Y234 HydrophobicContact CZ-CG 4.14Å |
Retrieved 234 of 234 residues in 111.5 ms
(Link to these results)