| 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 | 41.8 | Very low | 38.6 | Very low | 245 Ų | 245 | 140 Ų | 140 | 100% | 1.207 | 89% | 0.887 | S | S | * | * | 0 | 140.5 | 0 | -96.3 | 173.7 | 154.3 | 0 | 0 | 108.3 | |||||
| 2 | A | 43.3 | Very low | 38.3 | Very low | 113 Ų | 113 | 136.1 Ų | 136.1 | 93% | 0.934 | 88% | 0.877 | S | S | * | * | trans | 69 | 124.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 3 | G | 39.4 | Very low | 39 | Very low | 76 Ų | 76 | 135.1 Ų | 135.1 | 78% | 0.784 | 87% | 0.871 | S | S | * | * | cis | 150.1 | 111.3 | 6.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 4 | S | 40.3 | Very low | 38.5 | Very low | 114 Ų | 114 | 132.6 Ų | 132.6 | 80% | 0.797 | 86% | 0.86 | S | S | * | * | trans | -49 | 150.6 | -175.4 | 56.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 5 | R | 44 | Very low | 38.4 | Very low | 258 Ų | 258 | 132.1 Ų | 132.1 | 97% | 0.974 | 85% | 0.853 | S | S | * | * | trans | -136 | 110.7 | 143.9 | -78.2 | -170.7 | 162.2 | -172.2 | -6.2 | 110.1 | ||||
| 6 | G | 36.9 | Very low | 38.2 | Very low | 76 Ų | 76 | 139.1 Ų | 139.1 | 78% | 0.784 | 86% | 0.857 | S | S | * | * | trans | -90.9 | 149.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 7 | A | 38.9 | Very low | 38.4 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 94% | 0.942 | 85% | 0.847 | S | S | * | * | trans | -75.1 | 144.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 8 | G | 38 | Very low | 38 | Very low | 82 Ų | 82 | 139.4 Ų | 139.4 | 85% | 0.845 | 85% | 0.846 | S | S | * | * | trans | -137.4 | 119.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 9 | R | 36.4 | Very low | 38 | Very low | 233 Ų | 233 | 143.1 Ų | 143.1 | 88% | 0.879 | 85% | 0.849 | S | S | * | * | trans | -97.2 | 153.9 | 179.2 | -94.8 | 174.3 | 140.1 | -153.5 | -3.4 | 110.4 | ||||
| 10 | T | 31.5 | Very low | 38 | Very low | 130 Ų | 130 | 147.7 Ų | 147.7 | 80% | 0.798 | 85% | 0.851 | S | S | * | * | trans | 62.8 | 126.7 | 146 | 56.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 11 | A | 33.9 | Very low | 37.9 | Very low | 99 Ų | 99 | 152 Ų | 152 | 82% | 0.818 | 85% | 0.854 | S | S | * | * | 172.4 | 131.8 | 113.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 12 | A | 35.5 | Very low | 37.5 | Very low | 93 Ų | 93 | 145.6 Ų | 145.6 | 77% | 0.769 | 83% | 0.833 | S | S | * | * | trans | -81.3 | 162.5 | 155.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 13 | P | 46.8 | Very low | 37.3 | Very low | 123 Ų | 123 | 149.4 Ų | 149.4 | 80% | 0.799 | 83% | 0.831 | S | S | * | * | -157.6 | 156.5 | 103.4 | 38.1 | -18.3 | 0 | 0 | 0 | 118 | |||||
| 14 | S | 32.4 | Very low | 37.5 | Very low | 101 Ų | 101 | 151.1 Ų | 151.1 | 71% | 0.706 | 83% | 0.829 | S | S | * | * | 69.1 | 108.3 | 124.8 | -175.9 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 15 | V | 36.6 | Very low | 37.5 | Very low | 125 Ų | 125 | 155.1 Ų | 155.1 | 76% | 0.758 | 84% | 0.835 | S | S | * | * | 47 | 124.8 | 120.3 | -170.5 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 16 | R | 34.9 | Very low | 37.4 | Very low | 244 Ų | 244 | 150.8 Ų | 150.8 | 92% | 0.921 | 83% | 0.83 | S | S | * | * | -173.2 | 157.1 | 116.4 | -98.2 | 179.5 | -172.4 | -140.4 | 1.3 | 113.6 | |||||
| 17 | P | 41.7 | Very low | 37.6 | Very low | 106 Ų | 106 | 155.9 Ų | 155.9 | 69% | 0.688 | 83% | 0.834 | S | S | * | * | trans | -121.7 | 177.3 | -152.5 | 42.4 | -28.3 | 0 | 0 | 0 | 116.4 | ||||
| 18 | E | 32.5 | Very low | 37.8 | Very low | 178 Ų | 178 | 156.5 Ų | 156.5 | 83% | 0.832 | 83% | 0.828 | S | S | * | * | trans | 65.5 | 121.3 | 153.1 | -78.7 | -169 | 140.5 | 0 | 0 | 122.6 | ||||
| 19 | K | 37.4 | Very low | 37.9 | Very low | 208 Ų | 208 | 161 Ų | 161 | 90% | 0.904 | 83% | 0.827 | S | S | * | * | trans | -157.2 | 113.7 | 130.6 | -130.4 | 171.5 | -174.7 | 175.8 | 0 | 111.8 | ||||
| 20 | R | 37.9 | Very low | 37.9 | Very low | 235 Ų | 235 | 155.4 Ų | 155.4 | 89% | 0.887 | 82% | 0.821 | S | S | * | * | trans | -64.5 | 139.6 | 166 | -100.4 | 176.1 | 178.8 | -110.8 | -0.5 | 110.7 | ||||
| 21 | R | 34.8 | Very low | 38.4 | Very low | 239 Ų | 239 | 158 Ų | 158 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | trans | -164.2 | 124.6 | 146.1 | -110.1 | 171.3 | -171.6 | -149.4 | -0.4 | 112.2 | ||||
| 22 | S | 35 | Very low | 38.5 | Very low | 111 Ų | 111 | 159.1 Ų | 159.1 | 78% | 0.776 | 82% | 0.823 | S | S | * | * | trans | 58.3 | 111.1 | 149.7 | 52.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 23 | E | 39.5 | Very low | 38.5 | Very low | 192 Ų | 192 | 164.1 Ų | 164.1 | 90% | 0.897 | 83% | 0.831 | S | S | * | * | trans | -61.7 | 152.6 | 156.8 | -67 | 170.8 | 158.4 | 0 | 0 | 111.9 | ||||
| 24 | P | 41.8 | Very low | 37.9 | Very low | 113 Ų | 113 | 162.7 Ų | 162.7 | 73% | 0.734 | 83% | 0.829 | S | S | * | * | trans | -125.4 | 142.1 | 136.3 | 33.4 | -23.5 | 0 | 0 | 0 | 112.4 | ||||
| 25 | E | 40.5 | Very low | 38.2 | Very low | 197 Ų | 197 | 162.9 Ų | 162.9 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | trans | -52.5 | 136.8 | 170.1 | -73.8 | 171.3 | 126.7 | 0 | 0 | 112.2 | ||||
| 26 | L | 42 | Very low | 38.3 | Very low | 168 Ų | 168 | 163.2 Ų | 163.2 | 88% | 0.88 | 83% | 0.833 | S | S | * | * | trans | -150.4 | 140.8 | 162 | -98.9 | 132.8 | 0 | 0 | 0 | 109.8 | ||||
| 27 | E | 42.3 | Very low | 38.6 | Very low | 182 Ų | 182 | 157.1 Ų | 157.1 | 85% | 0.85 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 162.3 | -162.5 | -64.6 | -177.2 | 163 | 0 | 0 | 116.7 | ||
| 28 | P | 43 | Very low | 38 | Very low | 128 Ų | 128 | 157.7 Ų | 157.7 | 83% | 0.831 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 133.7 | -172.5 | 29.4 | -35 | 0 | 0 | 0 | 114.5 | ||
| 29 | E | 39.9 | Very low | 38.4 | Very low | 175 Ų | 175 | 155 Ų | 155 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 145.1 | 166.9 | -67 | -83.4 | 154.8 | 0 | 0 | 111.7 | ||
| 30 | P | 36.5 | Very low | 38.6 | Very low | 117 Ų | 117 | 155.5 Ų | 155.5 | 76% | 0.76 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 141.4 | 174.4 | 30.7 | -32.8 | 0 | 0 | 0 | 112.8 | ||
| 31 | E | 40.7 | Very low | 39.1 | Very low | 183 Ų | 183 | 150.3 Ų | 150.3 | 86% | 0.855 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 148.5 | 178.9 | -61.4 | -160.6 | 162.8 | 0 | 0 | 113.6 | ||
| 32 | P | 37.5 | Very low | 39.7 | Very low | 124 Ų | 124 | 146.9 Ų | 146.9 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 122.6 | 171.8 | 31.3 | -31.6 | 0 | 0 | 0 | 111.5 | A34 | P32-A34 PolarHBondContact O-N 3.22Š|
| 33 | E | 34 | Very low | 40.2 | Very low | 197 Ų | 197 | 150.1 Ų | 150.1 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 128.1 | 177.9 | -62.9 | -156.8 | 172.3 | 0 | 0 | 112.5 | ||
| 34 | A | 34.4 | Very low | 40.4 | Very low | 93 Ų | 93 | 145.2 Ų | 145.2 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 129.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | P32 | P32-A34 PolarHBondContact O-N 3.22Š|
| 35 | S | 38.7 | Very low | 40.9 | Very low | 106 Ų | 106 | 145.4 Ų | 145.4 | 74% | 0.741 | 82% | 0.815 | S | S | * | * | trans | -2.6 | 120.1 | 156.6 | 55.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 36 | T | 39.1 | Very low | 41.6 | Very low | 132 Ų | 132 | 139.6 Ų | 139.6 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 128.8 | 160.2 | -34.4 | 0 | 0 | 0 | 0 | 110.5 | C38 | T36-C38 PolarHBondContact O-N 3.5Š|
| 37 | P | 40.5 | Very low | 42.3 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 131 | 178.4 | 28.4 | -31 | 0 | 0 | 0 | 110 | ||
| 38 | C | 29.5 | Very low | 43.4 | Very low | 117 Ų | 117 | 140.7 Ų | 140.7 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 138.6 | 166.7 | -66.5 | 0 | 0 | 0 | 0 | 109.2 | T36 R40 | T36-C38 PolarHBondContact O-N 3.5Å; C38-R40 PolarHBondContact O-N 3.15Å |
| 39 | P | 42.3 | Very low | 44.6 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | -66.7 | 113.4 | 173.2 | 28.3 | -31 | 0 | 0 | 0 | 107.8 | T41 | P39-T41 PolarHBondContact O-N 3.34Š| ||
| 40 | R | 41 | Very low | 46 | Very low | 220 Ų | 220 | 134.4 Ų | 134.4 | 83% | 0.83 | 77% | 0.771 | S | S | * | * | trans | -53.7 | 121 | 166 | -174.2 | 174.3 | -174.6 | 152.1 | -1.5 | 106.7 | C38 E42 | C38-R40 PolarHBondContact O-N 3.15Å; R40-E42 PolarHBondContact O-N 3.49Å | ||
| 41 | T | 48.5 | Very low | 47.3 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | -62.2 | 87.2 | 167.2 | -54.9 | 0 | 0 | 0 | 0 | 107.4 | P39 M43 | P39-T41 PolarHBondContact O-N 3.34Å; T41-M43 PolarHBondContact O-N 2.91Å; T41-M43 VanDerWaalsContact O-N 3.15Å | ||
| 42 | E | 46.8 | Very low | 48.5 | Very low | 166 Ų | 166 | 133 Ų | 133 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | trans | -64.2 | 108.2 | 158.3 | -67.8 | -172.4 | 159.9 | 0 | 0 | 104.8 | R40 A44 | R40-E42 PolarHBondContact O-N 3.49Å; E42-A44 PolarHBondContact O-N 2.95Å | ||
| 43 | M | 46.3 | Very low | 49.9 | Very low | 179 Ų | 179 | 130.8 Ų | 130.8 | 88% | 0.882 | 74% | 0.742 | S | S | * | * | trans | -57.7 | 102.6 | 162.8 | -71.5 | -147 | 179.8 | 0 | 0 | 105.5 | T41 S45 | T41-M43 PolarHBondContact O-N 2.91Å; T41-M43 VanDerWaalsContact O-N 3.15Å; M43-S45 PolarHBondContact O-N 3.16Å | ||
| 44 | A | 43.8 | Very low | 51.3 | Low | 90 Ų | 90 | 130.6 Ų | 130.6 | 74% | 0.744 | 74% | 0.741 | S | S | * | * | trans | -52.8 | 112.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 105.2 | E42 A46 | E42-A44 PolarHBondContact O-N 2.95Å; A44-A46 PolarHBondContact O-N 3.49Å | ||
| 45 | S | 51.2 | Low | 52.5 | Low | 117 Ų | 117 | 133.1 Ų | 133.1 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | -64.8 | 84.9 | 160.3 | 42.1 | 0 | 0 | 0 | 0 | 104.8 | M43 R47 | M43-S45 PolarHBondContact O-N 3.16Å; S45-R47 PolarHBondContact O-N 3.37Å | ||
| 46 | A | 55.7 | Low | 53.2 | Low | 75 Ų | 75 | 129.3 Ų | 129.3 | 62% | 0.62 | 72% | 0.715 | S | S | * | * | trans | -50.8 | 116.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 104.1 | A44 I48 | A44-A46 PolarHBondContact O-N 3.49Å; A46-I48 PolarHBondContact O-N 3.4Å | ||
| 47 | R | 57.6 | Low | 54.1 | Low | 245 Ų | 245 | 129 Ų | 129 | 93% | 0.925 | 72% | 0.718 | S | S | * | * | trans | -59.1 | 97.7 | 157.8 | -69.6 | -175.5 | 176.5 | -178.7 | -1.4 | 103.1 | S45 G49 | S45-R47 PolarHBondContact O-N 3.37Å; R47-G49 PolarHBondContact O-N 3.15Å | ||
| 48 | I | 64.3 | Low | 54.9 | Low | 128 Ų | 128 | 128.1 Ų | 128.1 | 66% | 0.656 | 71% | 0.707 | S | S | * | * | trans | -57.3 | 104.2 | 170 | -62.2 | 166.7 | 0 | 0 | 0 | 102.2 | A46 E51 | A46-I48 PolarHBondContact O-N 3.4Å; I48-E51 HydrophobicContact CG2-CG 3.7Å; I48-E51 WeakPolarHBondContact CG2-OE1 3.47Å | ||
| 49 | G | 67.8 | Low | 56.1 | Low | 53 Ų | 53 | 127 Ų | 127 | 55% | 0.546 | 69% | 0.69 | S | S | . | * | trans | -54.9 | 156.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | R47 E51 | R47-G49 PolarHBondContact O-N 3.15Å; G49-E51 PolarHBondContact O-N 2.92Å | ||
| 50 | D | 70.1 | Confident | 56.7 | Low | 118 Ų | 118 | 130.1 Ų | 130.1 | 63% | 0.631 | 70% | 0.695 | S | S | * | * | trans | -52.8 | 109 | 176.6 | -164.6 | -12.8 | 0 | 0 | 0 | 109.3 | Y52 A53 | D50-Y52 PolarHBondContact O-N 2.97Å; D50-Y52 VanDerWaalsContact O-N 3.1Å; D50-Y52 WeakPolarHBondContact OD1-CD2 3.41Å; D50-Y52 PolarHBondContact OD1-N 3.39Å; D50-A53 HydrophobicContact CB-CB 4.43Å; D50-A53 VanDerWaalsContact O-CB 3.32Å; D50-A53 WeakPolarHBondContact O-CB 3.49Å; D50-A53 PolarHBondContact O-N 3.38Å | ||
| 51 | E | 64.3 | Low | 57.4 | Low | 146 Ų | 146 | 123 Ų | 123 | 68% | 0.682 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -16.7 | -173.4 | -64.1 | 178.8 | 176.5 | 0 | 0 | 111.2 | I48 G49 | I48-E51 HydrophobicContact CG2-CG 3.7Å; I48-E51 WeakPolarHBondContact CG2-OE1 3.47Å; G49-E51 PolarHBondContact O-N 2.92Å |
| 52 | Y | 64.8 | Low | 57.8 | Low | 123 Ų | 123 | 122.4 Ų | 122.4 | 48% | 0.482 | 66% | 0.664 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.9 | -3.9 | 178.4 | -62.9 | -86.4 | 0 | 0 | 0 | 113.6 | D50 | D50-Y52 PolarHBondContact O-N 2.97Å; D50-Y52 VanDerWaalsContact O-N 3.1Å; D50-Y52 WeakPolarHBondContact OD1-CD2 3.41Å; D50-Y52 PolarHBondContact OD1-N 3.39Å |
| 53 | A | 66.6 | Low | 58.6 | Low | 78 Ų | 78 | 122.8 Ų | 122.8 | 65% | 0.645 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -77.8 | -21.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | D50 | D50-A53 HydrophobicContact CB-CB 4.43Å; D50-A53 VanDerWaalsContact O-CB 3.32Å; D50-A53 WeakPolarHBondContact O-CB 3.49Å; D50-A53 PolarHBondContact O-N 3.38Å |
| 54 | E | 64.3 | Low | 59.6 | Low | 194 Ų | 194 | 114.6 Ų | 114.6 | 91% | 0.907 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -116.6 | -30.8 | -166.1 | -65.7 | -176.5 | -178.6 | 0 | 0 | 114.2 | ||
| 55 | D | 58.8 | Low | 61.1 | Low | 145 Ų | 145 | 114.3 Ų | 114.3 | 78% | 0.775 | 61% | 0.607 | S | S | * | * | trans | -157.1 | 79.9 | 178 | -170.3 | 15.4 | 0 | 0 | 0 | 110.3 | ||||
| 56 | S | 53.8 | Low | 62.3 | Low | 27 Ų | 27 | 110 Ų | 110 | 19% | 0.189 | 58% | 0.575 | C | S | . | * | trans | -98.5 | 97.5 | 170.5 | 172.6 | 0 | 0 | 0 | 0 | 110.2 | D58 E59 | S56-D58 PolarHBondContact O-N 2.89Å; S56-D58 PolarHBondContact OG-N 3.38Å; S56-D58 VanDerWaalsContact OG-N 3.1Å; S56-D58 PolarHBondContact OG-OD1 3.22Å; S56-E59 WeakPolarHBondContact OG-CB 3.38Å; S56-E59 VanDerWaalsContact OG-CG 3.22Å; S56-E59 WeakPolarHBondContact OG-CG 3.09Å; S56-E59 PolarHBondContact OG-N 2.96Å | ||
| 57 | S | 59.3 | Low | 63.4 | Low | 124 Ų | 124 | 107.5 Ų | 107.5 | 87% | 0.867 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -1.5 | 162.5 | -178.4 | 0 | 0 | 0 | 0 | 112.8 | ||
| 58 | D | 56.3 | Low | 64.5 | Low | 98 Ų | 98 | 104.1 Ų | 104.1 | 52% | 0.524 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -114.1 | -4.4 | -178.4 | 85.1 | -22.7 | 0 | 0 | 0 | 114.8 | S56 | S56-D58 PolarHBondContact O-N 2.89Å; S56-D58 PolarHBondContact OG-N 3.38Å; S56-D58 VanDerWaalsContact OG-N 3.1Å; S56-D58 PolarHBondContact OG-OD1 3.22Å |
| 59 | E | 55.2 | Low | 65.4 | Low | 94 Ų | 94 | 100.3 Ų | 100.3 | 44% | 0.439 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -2.2 | -174.2 | -94.6 | -170.8 | 149.5 | 0 | 0 | 115.4 | S56 D61 I62 | S56-E59 WeakPolarHBondContact OG-CB 3.38Å; S56-E59 VanDerWaalsContact OG-CG 3.22Å; S56-E59 WeakPolarHBondContact OG-CG 3.09Å; S56-E59 PolarHBondContact OG-N 2.96Å; E59-D61 VanDerWaalsContact C-N 3.29Å; E59-I62 VanDerWaalsContact O-CG1 3.22Å; E59-I62 WeakPolarHBondContact O-CG1 3.33Å |
| 60 | E | 54 | Low | 66.2 | Low | 187 Ų | 187 | 101.1 Ų | 101.1 | 87% | 0.874 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -23.2 | 172.2 | -64.9 | -162.2 | 154.9 | 0 | 0 | 111.9 | ||
| 61 | D | 56 | Low | 66.6 | Low | 71 Ų | 71 | 98.7 Ų | 98.7 | 38% | 0.38 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -98.6 | -4.1 | -171.2 | -140.9 | 10 | 0 | 0 | 0 | 114.1 | E59 R63 N64 M119 | E59-D61 VanDerWaalsContact C-N 3.29Å; D61-R63 PolarHBondContact O-N 3.4Å; D61-N64 CarbonylContact O-C 3.49Å; D61-N64 PolarHBondContact O-N 3.35Å; D61-N64 VanDerWaalsContact O-O 3.09Å; D61-M119 WeakPolarHBondContact OD1-CE 3.18Å |
| 62 | I | 57 | Low | 67.5 | Low | 113 Ų | 113 | 98.9 Ų | 98.9 | 58% | 0.579 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -15.1 | 180 | 47.4 | 157.3 | 0 | 0 | 0 | 113.8 | E59 | E59-I62 VanDerWaalsContact O-CG1 3.22Å; E59-I62 WeakPolarHBondContact O-CG1 3.33Å |
| 63 | R | 63.1 | Low | 68.5 | Low | 174 Ų | 174 | 101.7 Ų | 101.7 | 66% | 0.657 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -20.4 | 174.4 | -67 | -168.8 | -176.4 | 88.7 | 3.9 | 113.4 | D61 I89 | D61-R63 PolarHBondContact O-N 3.4Å; R63-I89 WeakPolarHBondContact O-CD1 3.1Å |
| 64 | N | 68.8 | Low | 69.3 | Low | 6 Ų | 6 | 100.5 Ų | 100.5 | 3% | 0.032 | 51% | 0.513 | C | S | . | . | trans | -139.2 | 112.5 | -178.8 | -174.1 | 8.9 | 0 | 0 | 0 | 111.8 | D61 V66 I89 M119 | D61-N64 CarbonylContact O-C 3.49Å; D61-N64 PolarHBondContact O-N 3.35Å; D61-N64 VanDerWaalsContact O-O 3.09Å; N64-V66 VanDerWaalsContact C-N 3.26Å; N64-V66 PolarHBondContact O-N 2.88Å; N64-V66 WeakPolarHBondContact OD1-CB 3.48Å; N64-V66 VanDerWaalsContact OD1-CG2 3.22Å; N64-V66 WeakPolarHBondContact OD1-CG2 3.37Å; N64-V66 PolarHBondContact OD1-N 2.88Å; N64-I89 HydrophobicContact CB-CD1 4.2Å; N64-M119 HydrophobicContact CB-CE 4.11Å; N64-M119 HydrophobicContact CB-SD 4.23Å; N64-M119 WeakPolarHBondContact ND2-CE 3.22Å | ||
| 65 | T | 75.4 | Confident | 70.1 | Confident | 84 Ų | 84 | 96.1 Ų | 96.1 | 52% | 0.515 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -0.5 | -176.3 | 62.3 | 0 | 0 | 0 | 0 | 114.9 | G67 Y82 | T65-G67 VanDerWaalsContact C-N 3.26Å; T65-G67 PolarHBondContact O-N 3.38Å; T65-Y82 PolarHBondContact OG1-O 2.88Å |
| 66 | V | 76.4 | Confident | 71.4 | Confident | 26 Ų | 26 | 96.8 Ų | 96.8 | 16% | 0.158 | 50% | 0.499 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -25.3 | -175.5 | 173.1 | 0 | 0 | 0 | 0 | 112.4 | N64 V69 Y74 | N64-V66 VanDerWaalsContact C-N 3.26Å; N64-V66 PolarHBondContact O-N 2.88Å; N64-V66 WeakPolarHBondContact OD1-CB 3.48Å; N64-V66 VanDerWaalsContact OD1-CG2 3.22Å; N64-V66 WeakPolarHBondContact OD1-CG2 3.37Å; N64-V66 PolarHBondContact OD1-N 2.88Å; V66-V69 HydrophobicContact CG1-CB 3.75Å; V66-V69 HydrophobicContact CG1-CG1 4.43Å; V66-V69 HydrophobicContact CG1-CG2 4.06Å; V66-V69 VanDerWaalsContact O-CG2 3.27Å; V66-V69 WeakPolarHBondContact O-CG2 3.28Å; V66-Y74 HydrophobicContact CG1-CE2 3.9Å; V66-Y74 HydrophobicContact CG2-CE2 4.41Å |
| 67 | G | 77.7 | Confident | 72.9 | Confident | 24 Ų | 24 | 100.8 Ų | 100.8 | 25% | 0.247 | 51% | 0.513 | C | S | . | . | trans | 62.5 | -155.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113 | T65 V69 M119 | T65-G67 VanDerWaalsContact C-N 3.26Å; T65-G67 PolarHBondContact O-N 3.38Å; G67-V69 VanDerWaalsContact C-N 3.28Å; G67-V69 PolarHBondContact O-N 3.35Å; G67-M119 WeakPolarHBondContact O-CE 3.41Å | ||
| 68 | N | 80.7 | Confident | 74.1 | Confident | 173 Ų | 173 | 99.2 Ų | 99.2 | 93% | 0.925 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -79 | 67.6 | -178 | -170.8 | 26.7 | 0 | 0 | 0 | 113 | ||
| 69 | V | 83.1 | Confident | 75.4 | Confident | 48 Ų | 48 | 95.5 Ų | 95.5 | 29% | 0.291 | 48% | 0.48 | S | S | . | . | trans | -108.7 | 142.1 | 174.7 | 176.1 | 0 | 0 | 0 | 0 | 109.3 | V66 G67 L71 W73 | V66-V69 HydrophobicContact CG1-CB 3.75Å; V66-V69 HydrophobicContact CG1-CG1 4.43Å; V66-V69 HydrophobicContact CG1-CG2 4.06Å; V66-V69 VanDerWaalsContact O-CG2 3.27Å; V66-V69 WeakPolarHBondContact O-CG2 3.28Å; G67-V69 VanDerWaalsContact C-N 3.28Å; G67-V69 PolarHBondContact O-N 3.35Å; V69-L71 PolarHBondContact O-N 3.43Å; V69-W73 HydrophobicContact CG1-CD2 4.31Å; V69-W73 HydrophobicContact CG1-CE3 3.59Å; V69-W73 HydrophobicContact CG1-CZ3 3.8Å | ||
| 70 | P | 83.8 | Confident | 76.7 | Confident | 71 Ų | 71 | 91.6 Ų | 91.6 | 46% | 0.461 | 46% | 0.462 | S | S | . | . | trans | -55.1 | 126.5 | 175.4 | -26 | 35.3 | 0 | 0 | 0 | 112.3 | E72 W73 | P70-E72 PolarHBondContact O-N 2.95Å; P70-W73 PolarHBondContact O-N 2.86Å | ||
| 71 | L | 79.4 | Confident | 78.1 | Confident | 67 Ų | 67 | 82.7 Ų | 82.7 | 35% | 0.351 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -67.6 | -22 | -178.3 | -69.6 | 162.9 | 0 | 0 | 0 | 113.2 | V69 W73 Y74 V80 P118 | V69-L71 PolarHBondContact O-N 3.43Å; L71-W73 PolarHBondContact O-N 3.46Å; L71-W73 VanDerWaalsContact O-N 3.09Å; L71-Y74 PolarHBondContact O-N 3.27Å; L71-V80 HydrophobicContact CD2-CG1 4.06Å; L71-P118 HydrophobicContact CD1-CB 4Å; L71-P118 WeakPolarHBondContact CD1-O 3.36Å |
| 72 | E | 84 | Confident | 79.4 | Confident | 150 Ų | 150 | 84.5 Ų | 84.5 | 70% | 0.701 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -53.7 | -31.2 | 177.9 | -61.3 | -179.2 | 170.2 | 0 | 0 | 112.4 | P70 Y74 D75 | P70-E72 PolarHBondContact O-N 2.95Å; E72-Y74 PolarHBondContact O-N 3.26Å; E72-D75 WeakPolarHBondContact CA-OD2 3.4Å; E72-D75 WeakPolarHBondContact O-CB 3.43Å; E72-D75 PolarHBondContact O-N 2.97Å; E72-D75 VanDerWaalsContact O-N 3.17Å |
| 73 | W | 85.1 | Confident | 80.5 | Confident | 181 Ų | 181 | 81.8 Ų | 81.8 | 69% | 0.686 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -67 | -19.2 | 179.3 | -67.4 | 2.6 | 0 | 0 | 0 | 113.6 | V69 P70 L71 | V69-W73 HydrophobicContact CG1-CD2 4.31Å; V69-W73 HydrophobicContact CG1-CE3 3.59Å; V69-W73 HydrophobicContact CG1-CZ3 3.8Å; P70-W73 PolarHBondContact O-N 2.86Å; L71-W73 PolarHBondContact O-N 3.46Å; L71-W73 VanDerWaalsContact O-N 3.09Å |
| 74 | Y | 82.8 | Confident | 81.4 | Confident | 53 Ų | 53 | 81 Ų | 81 | 21% | 0.208 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -98.9 | -0.7 | 178.4 | -69.1 | -81.3 | 0 | 0 | 0 | 112.6 | V66 L71 E72 D76 F77 H79 V80 K91 | V66-Y74 HydrophobicContact CG1-CE2 3.9Å; V66-Y74 HydrophobicContact CG2-CE2 4.41Å; L71-Y74 PolarHBondContact O-N 3.27Å; E72-Y74 PolarHBondContact O-N 3.26Å; Y74-D76 VanDerWaalsContact C-N 3.31Å; Y74-D76 PolarHBondContact O-N 2.96Å; Y74-F77 PolarHBondContact O-N 2.88Å; Y74-F77 VanDerWaalsContact O-O 3.07Å; Y74-H79 WeakPolarHBondContact CD1-O 3.44Å; Y74-V80 HydrophobicContact CD2-CG1 4.47Å; Y74-K91 VanDerWaalsContact C-NZ 3.3Å; Y74-K91 WeakPolarHBondContact O-CE 3.37Å; Y74-K91 PolarHBondContact O-NZ 3.38Å |
| 75 | D | 81.7 | Confident | 82.1 | Confident | 103 Ų | 103 | 86.9 Ų | 86.9 | 55% | 0.551 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -43.8 | -174.7 | -74.2 | -14.8 | 0 | 0 | 0 | 113 | E72 F77 | E72-D75 WeakPolarHBondContact CA-OD2 3.4Å; E72-D75 WeakPolarHBondContact O-CB 3.43Å; E72-D75 PolarHBondContact O-N 2.97Å; E72-D75 VanDerWaalsContact O-N 3.17Å; D75-F77 PolarHBondContact O-N 3.36Å |
| 76 | D | 86.2 | Confident | 82.3 | Confident | 159 Ų | 159 | 85.3 Ų | 85.3 | 85% | 0.85 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -9 | 178.5 | -64.3 | -37.1 | 0 | 0 | 0 | 113.9 | Y74 | Y74-D76 VanDerWaalsContact C-N 3.31Å; Y74-D76 PolarHBondContact O-N 2.96Å |
| 77 | F | 84.1 | Confident | 82.7 | Confident | 110 Ų | 110 | 92.3 Ų | 92.3 | 48% | 0.482 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -104.1 | 138.3 | -175.7 | -65.2 | -81.1 | 0 | 0 | 0 | 112.3 | Y74 D75 H79 K91 | Y74-F77 PolarHBondContact O-N 2.88Å; Y74-F77 VanDerWaalsContact O-O 3.07Å; D75-F77 PolarHBondContact O-N 3.36Å; F77-H79 PolarHBondContact O-N 2.88Å; F77-K91 WeakPolarHBondContact O-CE 3.49Å; F77-K91 PolarHBondContact O-NZ 3.17Å |
| 78 | P | 84.8 | Confident | 83.1 | Confident | 92 Ų | 92 | 98 Ų | 98 | 60% | 0.597 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -68.8 | -0.6 | 176.6 | -22.2 | 33.6 | 0 | 0 | 0 | 115.7 | K91 | P78-K91 PolarHBondContact O-N 3.34Š|
| 79 | H | 84.1 | Confident | 83.2 | Confident | 20 Ų | 20 | 91.1 Ų | 91.1 | 9% | 0.093 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 153.1 | -175.2 | 69.3 | -65.8 | 0 | 0 | 0 | 110 | Y74 F77 G81 Y82 R88 I89 Y90 | Y74-H79 WeakPolarHBondContact CD1-O 3.44Å; F77-H79 PolarHBondContact O-N 2.88Å; H79-G81 PolarHBondContact CD2-O 3.46Å; H79-Y82 AromaticContact NE2-CE2 3.99Å; H79-Y82 AromaticContact NE2-CZ 3.68Å; H79-R88 HydrophobicContact CB-CB 4.19Å; H79-I89 CarbonylContact C-O 3.57Å; H79-I89 WeakPolarHBondContact CA-O 3.37Å; H79-I89 WeakPolarHBondContact CB-O 3.27Å; H79-Y90 HydrophobicContact CB-CD1 4.35Å |
| 80 | V | 82.2 | Confident | 83.2 | Confident | 12 Ų | 12 | 95.9 Ų | 95.9 | 7% | 0.073 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 99.9 | 174.9 | 178.6 | 0 | 0 | 0 | 0 | 107 | L71 Y74 I89 K91 | L71-V80 HydrophobicContact CD2-CG1 4.06Å; Y74-V80 HydrophobicContact CD2-CG1 4.47Å; V80-I89 PolarHBondContact N-O 3.33Å; V80-I89 WeakPolarHBondContact O-CB 3.38Å; V80-K91 HydrophobicContact CG2-CD 4.06Å; V80-K91 HydrophobicContact CG2-CG 3.6Å |
| 81 | G | 82.8 | Confident | 82.9 | Confident | 0 Ų | 0 | 95 Ų | 95 | 0% | 0 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 71 | -168.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | H79 I89 | H79-G81 PolarHBondContact CD2-O 3.46Å; G81-I89 PolarHBondContact O-N 3.38Å |
| 82 | Y | 83.9 | Confident | 82.8 | Confident | 109 Ų | 109 | 94.1 Ų | 94.1 | 43% | 0.427 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 148.5 | -178.9 | -62.3 | -93.5 | 0 | 0 | 0 | 110.9 | T65 H79 R87 R88 | T65-Y82 PolarHBondContact OG1-O 2.88Å; H79-Y82 AromaticContact NE2-CE2 3.99Å; H79-Y82 AromaticContact NE2-CZ 3.68Å; Y82-R87 CarbonylContact C-O 3.47Å; Y82-R87 WeakPolarHBondContact CA-O 3.47Å; Y82-R88 HydrophobicContact CD1-CG 3.78Å; Y82-R88 HydrophobicContact CE1-CB 4.49Å; Y82-R88 HydrophobicContact CE1-CG 3.32Å |
| 83 | D | 81.5 | Confident | 81.8 | Confident | 55 Ų | 55 | 95.9 Ų | 95.9 | 29% | 0.294 | 46% | 0.464 | S | S | . | . | trans | -67.7 | 166.6 | 170.2 | -66.2 | -36.7 | 0 | 0 | 0 | 110.8 | D85 G86 R87 I89 | D83-D85 PolarHBondContact O-N 3.19Å; D83-D85 VanDerWaalsContact O-N 3.13Å; D83-G86 WeakPolarHBondContact O-CA 3.24Å; D83-G86 PolarHBondContact O-N 2.97Å; D83-R87 HydrophobicContact CB-CB 4.29Å; D83-R87 PolarHBondContact N-O 2.82Å; D83-R87 WeakPolarHBondContact OD2-CB 3.41Å; D83-I89 WeakPolarHBondContact OD1-CD1 3.43Å; D83-I89 WeakPolarHBondContact OD1-CG1 3.42Å | ||
| 84 | L | 81.5 | Confident | 80.8 | Confident | 158 Ų | 158 | 97.5 Ų | 97.5 | 83% | 0.827 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -32.5 | 171.8 | -175.3 | 64.9 | 0 | 0 | 0 | 112.8 | G86 | L84-G86 VanDerWaalsContact C-N 3.28Å; L84-G86 PolarHBondContact O-N 2.96Å |
| 85 | D | 82.2 | Confident | 79.9 | Confident | 130 Ų | 130 | 100.1 Ų | 100.1 | 70% | 0.695 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | 1.9 | 176.1 | -65.3 | -36.6 | 0 | 0 | 0 | 113.9 | D83 R87 | D83-D85 PolarHBondContact O-N 3.19Å; D83-D85 VanDerWaalsContact O-N 3.13Å; D85-R87 HydrophobicContact CB-CG 4.5Å |
| 86 | G | 81.3 | Confident | 79.2 | Confident | 51 Ų | 51 | 100 Ų | 100 | 53% | 0.526 | 48% | 0.484 | S | S | . | . | S | Bend | trans | 76.5 | 17.5 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | D83 L84 | D83-G86 WeakPolarHBondContact O-CA 3.24Å; D83-G86 PolarHBondContact O-N 2.97Å; L84-G86 VanDerWaalsContact C-N 3.28Å; L84-G86 PolarHBondContact O-N 2.96Å |
| 87 | R | 84.6 | Confident | 78.7 | Confident | 172 Ų | 172 | 97.5 Ų | 97.5 | 65% | 0.649 | 47% | 0.47 | S | S | * | . | trans | -82.8 | 145.7 | 175 | -64.8 | 179.1 | -177.3 | 177.5 | 4.6 | 110.3 | Y82 D83 D85 | Y82-R87 CarbonylContact C-O 3.47Å; Y82-R87 WeakPolarHBondContact CA-O 3.47Å; D83-R87 HydrophobicContact CB-CB 4.29Å; D83-R87 PolarHBondContact N-O 2.82Å; D83-R87 WeakPolarHBondContact OD2-CB 3.41Å; D85-R87 HydrophobicContact CB-CG 4.5Å | ||
| 88 | R | 85.8 | Confident | 78.7 | Confident | 143 Ų | 143 | 100.3 Ų | 100.3 | 54% | 0.54 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 126.5 | -180 | -73.4 | 175.3 | -95.3 | -172.8 | -5.1 | 110.3 | H79 Y82 Y90 | H79-R88 HydrophobicContact CB-CB 4.19Å; Y82-R88 HydrophobicContact CD1-CG 3.78Å; Y82-R88 HydrophobicContact CE1-CB 4.49Å; Y82-R88 HydrophobicContact CE1-CG 3.32Å; R88-Y90 HydrophobicContact CB-CE2 4.42Å; R88-Y90 PolarHBondContact O-N 3.33Å |
| 89 | I | 83.2 | Confident | 78.7 | Confident | 30 Ų | 30 | 102 Ų | 102 | 15% | 0.154 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 101.4 | 175.1 | -56.9 | 157.1 | 0 | 0 | 0 | 108.1 | R63 N64 H79 V80 G81 D83 | R63-I89 WeakPolarHBondContact O-CD1 3.1Å; N64-I89 HydrophobicContact CB-CD1 4.2Å; H79-I89 CarbonylContact C-O 3.57Å; H79-I89 WeakPolarHBondContact CA-O 3.37Å; H79-I89 WeakPolarHBondContact CB-O 3.27Å; V80-I89 PolarHBondContact N-O 3.33Å; V80-I89 WeakPolarHBondContact O-CB 3.38Å; G81-I89 PolarHBondContact O-N 3.38Å; D83-I89 WeakPolarHBondContact OD1-CD1 3.43Å; D83-I89 WeakPolarHBondContact OD1-CG1 3.42Å |
| 90 | Y | 82.8 | Confident | 78.7 | Confident | 148 Ų | 148 | 103.9 Ų | 103.9 | 58% | 0.58 | 50% | 0.499 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 140 | -178.4 | -69.5 | -77.8 | 0 | 0 | 0 | 111.9 | H79 R88 | H79-Y90 HydrophobicContact CB-CD1 4.35Å; R88-Y90 HydrophobicContact CB-CE2 4.42Å; R88-Y90 PolarHBondContact O-N 3.33Å |
| 91 | K | 77.4 | Confident | 78.7 | Confident | 53 Ų | 53 | 107.5 Ų | 107.5 | 23% | 0.23 | 52% | 0.515 | C | S | . | . | P | Polyproline II helix | trans | -61 | 147.4 | 167.2 | -68 | -178.5 | -179.9 | -175.1 | 0 | 109.1 | Y74 F77 P78 V80 L93 | Y74-K91 VanDerWaalsContact C-NZ 3.3Å; Y74-K91 WeakPolarHBondContact O-CE 3.37Å; Y74-K91 PolarHBondContact O-NZ 3.38Å; F77-K91 WeakPolarHBondContact O-CE 3.49Å; F77-K91 PolarHBondContact O-NZ 3.17Å; P78-K91 PolarHBondContact O-N 3.34Å; V80-K91 HydrophobicContact CG2-CD 4.06Å; V80-K91 HydrophobicContact CG2-CG 3.6Å; K91-L93 PolarHBondContact O-N 3.22Å |
| 92 | P | 76.4 | Confident | 79 | Confident | 48 Ų | 48 | 112.8 Ų | 112.8 | 31% | 0.312 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 132 | 168.1 | 23.5 | -31.5 | 0 | 0 | 0 | 108.9 | R94 T120 | P92-R94 PolarHBondContact O-N 3.43Å; P92-T120 WeakPolarHBondContact CD-O 3.43Å |
| 93 | L | 63.3 | Low | 79.1 | Confident | 187 Ų | 187 | 111.6 Ų | 111.6 | 98% | 0.979 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -60.1 | -10.6 | -172.5 | -69.6 | 158.7 | 0 | 0 | 0 | 114 | K91 | K91-L93 PolarHBondContact O-N 3.22Š|
| 94 | R | 64.5 | Low | 79.3 | Confident | 214 Ų | 214 | 110.5 Ų | 110.5 | 81% | 0.808 | 53% | 0.533 | S | S | * | . | trans | -132.9 | 105 | 172.5 | -82.8 | -179.5 | 148.5 | 176.1 | -9.9 | 108.4 | P92 | P92-R94 PolarHBondContact O-N 3.43Š| ||
| 95 | T | 63.7 | Low | 79.5 | Confident | 109 Ų | 109 | 109.7 Ų | 109.7 | 67% | 0.669 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -66 | 124 | 152.7 | 38.5 | 0 | 0 | 0 | 0 | 107 | D97 | T95-D97 PolarHBondContact O-N 3.18Š|
| 96 | R | 66.7 | Low | 79.7 | Confident | 101 Ų | 101 | 109.5 Ų | 109.5 | 38% | 0.381 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -64 | 125 | 178.9 | -68.5 | -171.2 | -170.4 | 165.5 | 15.7 | 109.1 | D100 Q101 D104 D123 | R96-D100 HydrophobicContact CB-CB 3.89Å; R96-D100 HydrophobicContact CG-CB 4.37Å; R96-Q101 HydrophobicContact CB-CG 4.39Å; R96-D104 WeakPolarHBondContact CD-OD2 2.98Å; R96-D104 IonicContact CZ-OD2 3.36Å; R96-D104 IonicContact NE-OD2 3.98Å; R96-D104 IonicContact NH1-OD2 3.69Å; R96-D104 PolarHBondContact NH1-OD2 2.83Å; R96-D123 IonicContact CZ-OD1 3.15Å; R96-D123 IonicContact CZ-OD2 2.72Å; R96-D123 IonicContact NE-OD1 3.59Å; R96-D123 IonicContact NH1-OD1 2.7Å; R96-D123 IonicContact NH1-OD2 3.46Å; R96-D123 PolarHBondContact NH1-OD2 3.37Å; R96-D123 VanDerWaalsContact NH2-CG 3.34Å; R96-D123 IonicContact NH2-OD1 3.62Å; R96-D123 PolarHBondContact NH2-OD1 2.64Å; R96-D123 IonicContact NH2-OD2 3.82Å; R96-D123 PolarHBondContact NH2-OD2 3.27Å |
| 97 | D | 76.9 | Confident | 80 | Confident | 105 Ų | 105 | 112.7 Ų | 112.7 | 56% | 0.561 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -64 | 160.5 | 176 | -70.2 | -30.1 | 0 | 0 | 0 | 109.7 | T95 L99 D100 Q101 | T95-D97 PolarHBondContact O-N 3.18Å; D97-L99 PolarHBondContact O-N 3.14Å; D97-L99 VanDerWaalsContact O-N 3.08Å; D97-D100 PolarHBondContact N-OD2 2.75Å; D97-D100 WeakPolarHBondContact O-CB 3.41Å; D97-D100 PolarHBondContact O-N 3.15Å; D97-Q101 PolarHBondContact O-N 3.03Å |
| 98 | E | 82.9 | Confident | 80.1 | Confident | 169 Ų | 169 | 108.6 Ų | 108.6 | 79% | 0.79 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -55.2 | -29.7 | 175.1 | -63.4 | -178 | 164.7 | 0 | 0 | 112 | F102 | E98-F102 WeakPolarHBondContact O-CB 3.42Å; E98-F102 PolarHBondContact O-N 3.15Å; E98-F102 VanDerWaalsContact O-N 3.11Å |
| 99 | L | 85.5 | Confident | 80.1 | Confident | 128 Ų | 128 | 106.7 Ų | 106.7 | 67% | 0.67 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.8 | -40 | 174.1 | -65 | 179.4 | 0 | 0 | 0 | 112.4 | D97 F102 L103 | D97-L99 PolarHBondContact O-N 3.14Å; D97-L99 VanDerWaalsContact O-N 3.08Å; L99-F102 WeakPolarHBondContact O-CB 3.25Å; L99-F102 PolarHBondContact O-N 3.25Å; L99-L103 WeakPolarHBondContact O-CG 3.48Å; L99-L103 PolarHBondContact O-N 3.17Å |
| 100 | D | 83.1 | Confident | 80.2 | Confident | 59 Ų | 59 | 107.2 Ų | 107.2 | 32% | 0.316 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.9 | -42.4 | 177.6 | -69.2 | -23.2 | 0 | 0 | 0 | 110.2 | R96 D97 F102 L103 D104 | R96-D100 HydrophobicContact CB-CB 3.89Å; R96-D100 HydrophobicContact CG-CB 4.37Å; D97-D100 PolarHBondContact N-OD2 2.75Å; D97-D100 WeakPolarHBondContact O-CB 3.41Å; D97-D100 PolarHBondContact O-N 3.15Å; D100-F102 PolarHBondContact O-N 3.4Å; D100-L103 PolarHBondContact O-N 3.2Å; D100-L103 VanDerWaalsContact O-N 3.16Å; D100-D104 PolarHBondContact O-N 3.27Å |
| 101 | Q | 83.8 | Confident | 80.4 | Confident | 89 Ų | 89 | 103.8 Ų | 103.8 | 42% | 0.416 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.1 | -35.6 | 174.4 | -65.2 | 178.9 | 31 | 0 | 0 | 112.4 | R96 D97 K105 | R96-Q101 HydrophobicContact CB-CG 4.39Å; D97-Q101 PolarHBondContact O-N 3.03Å; Q101-K105 WeakPolarHBondContact O-CB 3.27Å; Q101-K105 PolarHBondContact O-N 3.18Å; Q101-K105 VanDerWaalsContact O-N 3.07Å |
| 102 | F | 87.3 | Confident | 80.8 | Confident | 111 Ų | 111 | 107.7 Ų | 107.7 | 49% | 0.487 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -70 | -39.6 | 176.2 | 179.3 | -97.5 | 0 | 0 | 0 | 112.2 | E98 L99 D100 K105 M106 | E98-F102 WeakPolarHBondContact O-CB 3.42Å; E98-F102 PolarHBondContact O-N 3.15Å; E98-F102 VanDerWaalsContact O-N 3.11Å; L99-F102 WeakPolarHBondContact O-CB 3.25Å; L99-F102 PolarHBondContact O-N 3.25Å; D100-F102 PolarHBondContact O-N 3.4Å; F102-K105 WeakPolarHBondContact O-CB 3.39Å; F102-K105 PolarHBondContact O-N 3.09Å; F102-M106 HydrophobicContact CD1-SD 4.34Å; F102-M106 HydrophobicContact CE1-CE 3.65Å; F102-M106 HydrophobicContact CE1-SD 3.59Å; F102-M106 VanDerWaalsContact CE1-SD 3.59Å; F102-M106 HydrophobicContact CE2-CE 3.69Å; F102-M106 HydrophobicContact CZ-CE 3.1Å; F102-M106 HydrophobicContact CZ-SD 3.73Å; F102-M106 PolarHBondContact O-N 3.44Å |
| 103 | L | 87.4 | Confident | 81.4 | Confident | 84 Ų | 84 | 108.2 Ų | 108.2 | 44% | 0.44 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.7 | -47.8 | 174.2 | -71.5 | 174.3 | 0 | 0 | 0 | 111 | L99 D100 K105 M106 D107 | L99-L103 WeakPolarHBondContact O-CG 3.48Å; L99-L103 PolarHBondContact O-N 3.17Å; D100-L103 PolarHBondContact O-N 3.2Å; D100-L103 VanDerWaalsContact O-N 3.16Å; L103-K105 PolarHBondContact O-N 3.29Å; L103-M106 PolarHBondContact O-N 3.26Å; L103-D107 WeakPolarHBondContact O-CB 2.91Å; L103-D107 PolarHBondContact O-N 2.54Å |
| 104 | D | 85.6 | Confident | 82.6 | Confident | 32 Ų | 32 | 101.1 Ų | 101.1 | 17% | 0.171 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -57.1 | -38.7 | 176.9 | -64.5 | -18 | 0 | 0 | 0 | 111 | R96 D100 M106 D108 Y111 | R96-D104 WeakPolarHBondContact CD-OD2 2.98Å; R96-D104 IonicContact CZ-OD2 3.36Å; R96-D104 IonicContact NE-OD2 3.98Å; R96-D104 IonicContact NH1-OD2 3.69Å; R96-D104 PolarHBondContact NH1-OD2 2.83Å; D100-D104 PolarHBondContact O-N 3.27Å; D104-M106 VanDerWaalsContact C-N 3.25Å; D104-M106 PolarHBondContact O-N 3.48Å; D104-D108 WeakPolarHBondContact O-CB 3.43Å; D104-D108 PolarHBondContact O-N 2.77Å; D104-Y111 HydrophobicContact CB-CD2 3.71Å; D104-Y111 HydrophobicContact CB-CE2 3.79Å |
| 105 | K | 86.3 | Confident | 83.8 | Confident | 140 Ų | 140 | 94.5 Ų | 94.5 | 61% | 0.609 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.9 | -27.7 | 176.2 | -175.6 | 177.1 | 179.2 | 179.9 | 0 | 113.8 | Q101 F102 L103 Y111 | Q101-K105 WeakPolarHBondContact O-CB 3.27Å; Q101-K105 PolarHBondContact O-N 3.18Å; Q101-K105 VanDerWaalsContact O-N 3.07Å; F102-K105 WeakPolarHBondContact O-CB 3.39Å; F102-K105 PolarHBondContact O-N 3.09Å; L103-K105 PolarHBondContact O-N 3.29Å; K105-Y111 HydrophobicContact CB-CD1 4.05Å; K105-Y111 HydrophobicContact CB-CE1 3.86Å; K105-Y111 HydrophobicContact CB-CE2 4.35Å; K105-Y111 HydrophobicContact CB-CG 4.39Å; K105-Y111 HydrophobicContact CD-CE1 4.4Å; K105-Y111 HydrophobicContact CG-CD1 4.07Å; K105-Y111 HydrophobicContact CG-CE1 3.94Å |
| 106 | M | 85.8 | Confident | 84.7 | Confident | 126 Ų | 126 | 93.8 Ų | 93.8 | 62% | 0.621 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -93.8 | -38.3 | 180 | -70.7 | -168.9 | 163.3 | 0 | 0 | 112.9 | F102 L103 D104 | F102-M106 HydrophobicContact CD1-SD 4.34Å; F102-M106 HydrophobicContact CE1-CE 3.65Å; F102-M106 HydrophobicContact CE1-SD 3.59Å; F102-M106 VanDerWaalsContact CE1-SD 3.59Å; F102-M106 HydrophobicContact CE2-CE 3.69Å; F102-M106 HydrophobicContact CZ-CE 3.1Å; F102-M106 HydrophobicContact CZ-SD 3.73Å; F102-M106 PolarHBondContact O-N 3.44Å; L103-M106 PolarHBondContact O-N 3.26Å; D104-M106 VanDerWaalsContact C-N 3.25Å; D104-M106 PolarHBondContact O-N 3.48Å |
| 107 | D | 86.7 | Confident | 85.4 | Confident | 119 Ų | 119 | 91 Ų | 91 | 64% | 0.636 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -93.7 | -32.5 | -169.1 | -69.3 | -20.4 | 0 | 0 | 0 | 112.5 | L103 P109 | L103-D107 WeakPolarHBondContact O-CB 2.91Å; L103-D107 PolarHBondContact O-N 2.54Å; D107-P109 WeakPolarHBondContact O-CD 3.39Å |
| 108 | D | 87.1 | Confident | 85.3 | Confident | 86 Ų | 86 | 90.4 Ų | 90.4 | 46% | 0.46 | 45% | 0.452 | S | S | . | . | trans | -91.5 | 117 | -177.7 | -74.4 | -33.6 | 0 | 0 | 0 | 112.4 | D104 D110 Y111 | D104-D108 WeakPolarHBondContact O-CB 3.43Å; D104-D108 PolarHBondContact O-N 2.77Å; D108-D110 PolarHBondContact O-N 2.91Å; D108-Y111 WeakPolarHBondContact O-CB 3.46Å; D108-Y111 PolarHBondContact O-N 3.36Å | ||
| 109 | P | 86.1 | Confident | 84.8 | Confident | 102 Ų | 102 | 84.4 Ų | 84.4 | 66% | 0.662 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -16.9 | 176.9 | 29 | -35.6 | 0 | 0 | 0 | 113.1 | D107 W112 | D107-P109 WeakPolarHBondContact O-CD 3.39Å; P109-W112 PolarHBondContact O-NE1 3.39Å |
| 110 | D | 85.4 | Confident | 84.1 | Confident | 42 Ų | 42 | 79.7 Ų | 79.7 | 23% | 0.225 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 8.8 | -179.8 | -72 | -38 | 0 | 0 | 0 | 113.1 | D108 W112 R113 T114 R125 | D108-D110 PolarHBondContact O-N 2.91Å; D110-W112 PolarHBondContact O-N 3.45Å; D110-W112 VanDerWaalsContact O-N 3.16Å; D110-R113 WeakPolarHBondContact O-CA 3.34Å; D110-R113 VanDerWaalsContact O-CB 3.31Å; D110-R113 WeakPolarHBondContact O-CB 3.05Å; D110-R113 PolarHBondContact O-N 3.43Å; D110-R113 WeakPolarHBondContact OD1-CD 3.15Å; D110-R113 IonicContact OD1-CZ 3.2Å; D110-R113 IonicContact OD1-NE 3.15Å; D110-R113 IonicContact OD1-NH1 2.66Å; D110-R113 PolarHBondContact OD1-NH1 3.16Å; D110-T114 PolarHBondContact O-N 3.38Å; D110-R125 IonicContact OD2-CZ 3.8Å; D110-R125 IonicContact OD2-NH2 2.67Å; D110-R125 PolarHBondContact OD2-NH2 3.08Å |
| 111 | Y | 86.9 | Confident | 83.7 | Confident | 75 Ų | 75 | 78.8 Ų | 78.8 | 29% | 0.294 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -56.7 | -32.9 | 179.1 | -177.5 | -96.1 | 0 | 0 | 0 | 113.1 | D104 K105 D108 R113 T114 | D104-Y111 HydrophobicContact CB-CD2 3.71Å; D104-Y111 HydrophobicContact CB-CE2 3.79Å; K105-Y111 HydrophobicContact CB-CD1 4.05Å; K105-Y111 HydrophobicContact CB-CE1 3.86Å; K105-Y111 HydrophobicContact CB-CE2 4.35Å; K105-Y111 HydrophobicContact CB-CG 4.39Å; K105-Y111 HydrophobicContact CD-CE1 4.4Å; K105-Y111 HydrophobicContact CG-CD1 4.07Å; K105-Y111 HydrophobicContact CG-CE1 3.94Å; D108-Y111 WeakPolarHBondContact O-CB 3.46Å; D108-Y111 PolarHBondContact O-N 3.36Å; Y111-R113 PolarHBondContact O-N 3.16Å; Y111-T114 PolarHBondContact O-N 3.49Å; Y111-T114 PolarHBondContact O-OG1 2.92Å |
| 112 | W | 84.8 | Confident | 83.4 | Confident | 136 Ų | 136 | 81.8 Ų | 81.8 | 52% | 0.515 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -70.8 | -10.1 | 175.6 | 64 | -86.5 | 0 | 0 | 0 | 113.8 | P109 D110 V131 R135 | P109-W112 PolarHBondContact O-NE1 3.39Å; D110-W112 PolarHBondContact O-N 3.45Å; D110-W112 VanDerWaalsContact O-N 3.16Å; W112-V131 HydrophobicContact CH2-CG1 4.02Å; W112-V131 HydrophobicContact CZ3-CG1 3.64Å; W112-R135 VanDerWaalsContact CZ3-NH2 3.29Å |
| 113 | R | 89.9 | Confident | 83.2 | Confident | 58 Ų | 58 | 78.4 Ų | 78.4 | 22% | 0.219 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -100.4 | -9.4 | 176.7 | -57.7 | 176.3 | 167.7 | -166.6 | -25.8 | 112.9 | D110 Y111 L126 D128 V131 | D110-R113 WeakPolarHBondContact O-CA 3.34Å; D110-R113 VanDerWaalsContact O-CB 3.31Å; D110-R113 WeakPolarHBondContact O-CB 3.05Å; D110-R113 PolarHBondContact O-N 3.43Å; D110-R113 WeakPolarHBondContact OD1-CD 3.15Å; D110-R113 IonicContact OD1-CZ 3.2Å; D110-R113 IonicContact OD1-NE 3.15Å; D110-R113 IonicContact OD1-NH1 2.66Å; D110-R113 PolarHBondContact OD1-NH1 3.16Å; Y111-R113 PolarHBondContact O-N 3.16Å; R113-L126 WeakPolarHBondContact O-CB 3.44Å; R113-L126 WeakPolarHBondContact O-CG 3.4Å; R113-L126 PolarHBondContact O-N 2.9Å; R113-D128 IonicContact CZ-OD1 3.31Å; R113-D128 IonicContact NH1-OD1 3.76Å; R113-D128 PolarHBondContact NH1-OD1 3.09Å; R113-D128 VanDerWaalsContact NH1-OD1 3.15Å; R113-D128 IonicContact NH2-OD1 3.29Å; R113-D128 PolarHBondContact NH2-OD1 3.37Å; R113-V131 HydrophobicContact CG-CG2 4.39Å |
| 114 | T | 89.4 | Confident | 83.1 | Confident | 38 Ų | 38 | 79 Ų | 79 | 23% | 0.233 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 134.4 | 179.4 | 45.3 | 0 | 0 | 0 | 0 | 111.2 | D110 Y111 L124 R125 | D110-T114 PolarHBondContact O-N 3.38Å; Y111-T114 PolarHBondContact O-N 3.49Å; Y111-T114 PolarHBondContact O-OG1 2.92Å; T114-L124 CarbonylContact C-O 3.59Å; T114-L124 WeakPolarHBondContact CA-O 3.4Å; T114-R125 HydrophobicContact CG2-CG 3.56Å |
| 115 | V | 87.8 | Confident | 83.3 | Confident | 76 Ų | 76 | 85.6 Ų | 85.6 | 46% | 0.461 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 134.8 | 173.2 | 179 | 0 | 0 | 0 | 0 | 108.5 | L124 L126 | V115-L124 PolarHBondContact N-O 2.91Å; V115-L124 PolarHBondContact O-N 3.1Å; V115-L126 HydrophobicContact CG2-CD1 3.9Å; V115-L126 HydrophobicContact CG2-CD2 4.39Å; V115-L126 HydrophobicContact CG2-CG 4.09Å |
| 116 | Q | 83.2 | Confident | 83.5 | Confident | 93 Ų | 93 | 81.8 Ų | 81.8 | 44% | 0.435 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 122.2 | 176.4 | -68.1 | -66.9 | -10.2 | 0 | 0 | 110 | D123 | Q116-D123 VanDerWaalsContact CD-OD1 3.32Å; Q116-D123 PolarHBondContact NE2-OD1 3.49Å; Q116-D123 PolarHBondContact NE2-OD2 3.24Å; Q116-D123 PolarHBondContact OE1-OD1 3.41Å; Q116-D123 VanDerWaalsContact OE1-OD1 3.09Å |
| 117 | D | 82.3 | Confident | 83.9 | Confident | 42 Ų | 42 | 79.1 Ų | 79.1 | 23% | 0.225 | 40% | 0.403 | C | S | . | . | trans | -75.7 | 119.7 | 170.8 | 174.3 | 1.8 | 0 | 0 | 0 | 109.4 | M119 T120 G121 R122 L124 | D117-M119 VanDerWaalsContact C-N 3.28Å; D117-M119 PolarHBondContact O-N 2.65Å; D117-M119 PolarHBondContact OD1-N 2.94Å; D117-T120 VanDerWaalsContact CG-OG1 3.3Å; D117-T120 WeakPolarHBondContact OD2-CB 3.44Å; D117-T120 WeakPolarHBondContact OD2-CG2 3.5Å; D117-T120 PolarHBondContact OD2-OG1 3.33Å; D117-G121 VanDerWaalsContact O-CA 3.24Å; D117-G121 WeakPolarHBondContact O-CA 3.49Å; D117-G121 PolarHBondContact O-N 3.12Å; D117-R122 PolarHBondContact N-O 3.29Å; D117-L124 HydrophobicContact CB-CD1 4.17Å; D117-L124 HydrophobicContact CB-CG 4.46Å | ||
| 118 | P | 74.9 | Confident | 84.1 | Confident | 93 Ų | 93 | 78.4 Ų | 78.4 | 60% | 0.604 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -32 | -178.6 | 26.4 | -35.1 | 0 | 0 | 0 | 113.1 | L71 | L71-P118 HydrophobicContact CD1-CB 4Å; L71-P118 WeakPolarHBondContact CD1-O 3.36Å |
| 119 | M | 71.1 | Confident | 84.4 | Confident | 43 Ų | 43 | 82.1 Ų | 82.1 | 21% | 0.212 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -40.8 | -173.3 | -72.1 | -177.7 | 122.4 | 0 | 0 | 112.6 | D61 N64 G67 D117 | D61-M119 WeakPolarHBondContact OD1-CE 3.18Å; N64-M119 HydrophobicContact CB-CE 4.11Å; N64-M119 HydrophobicContact CB-SD 4.23Å; N64-M119 WeakPolarHBondContact ND2-CE 3.22Å; G67-M119 WeakPolarHBondContact O-CE 3.41Å; D117-M119 VanDerWaalsContact C-N 3.28Å; D117-M119 PolarHBondContact O-N 2.65Å; D117-M119 PolarHBondContact OD1-N 2.94Å |
| 120 | T | 72.4 | Confident | 84.6 | Confident | 30 Ų | 30 | 81.6 Ų | 81.6 | 18% | 0.184 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -14.5 | -177.9 | 67.2 | 0 | 0 | 0 | 0 | 113.2 | P92 D117 R122 | P92-T120 WeakPolarHBondContact CD-O 3.43Å; D117-T120 VanDerWaalsContact CG-OG1 3.3Å; D117-T120 WeakPolarHBondContact OD2-CB 3.44Å; D117-T120 WeakPolarHBondContact OD2-CG2 3.5Å; D117-T120 PolarHBondContact OD2-OG1 3.33Å; T120-R122 PolarHBondContact O-N 2.93Å |
| 121 | G | 73.3 | Confident | 85 | Confident | 39 Ų | 39 | 80.3 Ų | 80.3 | 40% | 0.402 | 40% | 0.395 | S | S | . | . | trans | 62.2 | 26.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D117 | D117-G121 VanDerWaalsContact O-CA 3.24Å; D117-G121 WeakPolarHBondContact O-CA 3.49Å; D117-G121 PolarHBondContact O-N 3.12Å | ||
| 122 | R | 78.7 | Confident | 85.3 | Confident | 152 Ų | 152 | 78.2 Ų | 78.2 | 57% | 0.574 | 39% | 0.393 | S | S | * | . | trans | -103.9 | 141.6 | -178.8 | -64 | 179.1 | -177.7 | 179.3 | 3.5 | 110.4 | D117 T120 L124 | D117-R122 PolarHBondContact N-O 3.29Å; T120-R122 PolarHBondContact O-N 2.93Å; R122-L124 PolarHBondContact O-N 3.36Å | ||
| 123 | D | 82.9 | Confident | 85.7 | Confident | 40 Ų | 40 | 75.1 Ų | 75.1 | 21% | 0.214 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 113 | 170.6 | -59.9 | 46.3 | 0 | 0 | 0 | 110.7 | R96 Q116 | R96-D123 IonicContact CZ-OD1 3.15Å; R96-D123 IonicContact CZ-OD2 2.72Å; R96-D123 IonicContact NE-OD1 3.59Å; R96-D123 IonicContact NH1-OD1 2.7Å; R96-D123 IonicContact NH1-OD2 3.46Å; R96-D123 PolarHBondContact NH1-OD2 3.37Å; R96-D123 VanDerWaalsContact NH2-CG 3.34Å; R96-D123 IonicContact NH2-OD1 3.62Å; R96-D123 PolarHBondContact NH2-OD1 2.64Å; R96-D123 IonicContact NH2-OD2 3.82Å; R96-D123 PolarHBondContact NH2-OD2 3.27Å; Q116-D123 VanDerWaalsContact CD-OD1 3.32Å; Q116-D123 PolarHBondContact NE2-OD1 3.49Å; Q116-D123 PolarHBondContact NE2-OD2 3.24Å; Q116-D123 PolarHBondContact OE1-OD1 3.41Å; Q116-D123 VanDerWaalsContact OE1-OD1 3.09Å |
| 124 | L | 84.9 | Confident | 85.8 | Confident | 97 Ų | 97 | 75.6 Ų | 75.6 | 51% | 0.508 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 122.9 | 170.9 | -60.4 | -180 | 0 | 0 | 0 | 109.3 | T114 V115 D117 R122 | T114-L124 CarbonylContact C-O 3.59Å; T114-L124 WeakPolarHBondContact CA-O 3.4Å; V115-L124 PolarHBondContact N-O 2.91Å; V115-L124 PolarHBondContact O-N 3.1Å; D117-L124 HydrophobicContact CB-CD1 4.17Å; D117-L124 HydrophobicContact CB-CG 4.46Å; R122-L124 PolarHBondContact O-N 3.36Å |
| 125 | R | 89.6 | Confident | 86 | Confident | 170 Ų | 170 | 80.6 Ų | 80.6 | 64% | 0.642 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 121.5 | 173.8 | -70.9 | 175.9 | 73.2 | -167.9 | 3 | 109.2 | D110 T114 | D110-R125 IonicContact OD2-CZ 3.8Å; D110-R125 IonicContact OD2-NH2 2.67Å; D110-R125 PolarHBondContact OD2-NH2 3.08Å; T114-R125 HydrophobicContact CG2-CG 3.56Å |
| 126 | L | 90.4 | Very high | 86.2 | Confident | 60 Ų | 60 | 80.2 Ų | 80.2 | 31% | 0.314 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 141.6 | 174.9 | -62.5 | 178 | 0 | 0 | 0 | 110.9 | R113 V115 Q130 V131 | R113-L126 WeakPolarHBondContact O-CB 3.44Å; R113-L126 WeakPolarHBondContact O-CG 3.4Å; R113-L126 PolarHBondContact O-N 2.9Å; V115-L126 HydrophobicContact CG2-CD1 3.9Å; V115-L126 HydrophobicContact CG2-CD2 4.39Å; V115-L126 HydrophobicContact CG2-CG 4.09Å; L126-Q130 HydrophobicContact CB-CB 4.47Å; L126-V131 HydrophobicContact CB-CG2 3.81Å; L126-V131 HydrophobicContact CD1-CG2 4.41Å |
| 127 | T | 94 | Very high | 86.7 | Confident | 71 Ų | 71 | 80.9 Ų | 80.9 | 44% | 0.436 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 158.3 | 174.1 | 67 | 0 | 0 | 0 | 0 | 111 | E129 Q130 V131 | T127-E129 PolarHBondContact O-N 3.49Å; T127-Q130 PolarHBondContact O-N 2.98Å; T127-Q130 VanDerWaalsContact O-N 3.16Å; T127-Q130 VanDerWaalsContact OG1-CD 3.28Å; T127-Q130 VanDerWaalsContact OG1-CG 3.23Å; T127-Q130 WeakPolarHBondContact OG1-CG 3.43Å; T127-Q130 PolarHBondContact OG1-N 3.15Å; T127-Q130 PolarHBondContact OG1-OE1 3.36Å; T127-V131 WeakPolarHBondContact O-CG2 3.33Å; T127-V131 PolarHBondContact O-N 3.07Å |
| 128 | D | 91.9 | Very high | 87.3 | Confident | 103 Ų | 103 | 86.5 Ų | 86.5 | 55% | 0.551 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -59.6 | -33 | 179.3 | -72.6 | -43.5 | 0 | 0 | 0 | 112.4 | R113 A132 | R113-D128 IonicContact CZ-OD1 3.31Å; R113-D128 IonicContact NH1-OD1 3.76Å; R113-D128 PolarHBondContact NH1-OD1 3.09Å; R113-D128 VanDerWaalsContact NH1-OD1 3.15Å; R113-D128 IonicContact NH2-OD1 3.29Å; R113-D128 PolarHBondContact NH2-OD1 3.37Å; D128-A132 VanDerWaalsContact O-CB 3.29Å; D128-A132 WeakPolarHBondContact O-CB 3.38Å; D128-A132 PolarHBondContact O-N 2.92Å |
| 129 | E | 91.9 | Very high | 88.2 | Confident | 165 Ų | 165 | 85.3 Ų | 85.3 | 77% | 0.771 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -67.1 | -45 | 176.1 | -64.1 | 179.1 | 177.1 | 0 | 0 | 111.8 | T127 A132 L133 | T127-E129 PolarHBondContact O-N 3.49Å; E129-A132 PolarHBondContact O-N 3.31Å; E129-L133 WeakPolarHBondContact O-CB 3.38Å; E129-L133 PolarHBondContact O-N 2.92Å |
| 130 | Q | 91.5 | Very high | 89.1 | Confident | 91 Ų | 91 | 86.7 Ų | 86.7 | 43% | 0.425 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 176.1 | -71.1 | 166.9 | -11.9 | 0 | 0 | 111.2 | L126 T127 A132 L133 V134 | L126-Q130 HydrophobicContact CB-CB 4.47Å; T127-Q130 PolarHBondContact O-N 2.98Å; T127-Q130 VanDerWaalsContact O-N 3.16Å; T127-Q130 VanDerWaalsContact OG1-CD 3.28Å; T127-Q130 VanDerWaalsContact OG1-CG 3.23Å; T127-Q130 WeakPolarHBondContact OG1-CG 3.43Å; T127-Q130 PolarHBondContact OG1-N 3.15Å; T127-Q130 PolarHBondContact OG1-OE1 3.36Å; Q130-A132 PolarHBondContact O-N 2.9Å; Q130-L133 WeakPolarHBondContact O-CB 3.49Å; Q130-L133 PolarHBondContact O-N 3.38Å; Q130-V134 WeakPolarHBondContact O-CG2 3.37Å; Q130-V134 PolarHBondContact O-N 3.42Å |
| 131 | V | 93.3 | Very high | 90 | Very high | 14 Ų | 14 | 90.8 Ų | 90.8 | 9% | 0.085 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 175.7 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | W112 R113 L126 T127 L133 V134 R135 | W112-V131 HydrophobicContact CH2-CG1 4.02Å; W112-V131 HydrophobicContact CZ3-CG1 3.64Å; R113-V131 HydrophobicContact CG-CG2 4.39Å; L126-V131 HydrophobicContact CB-CG2 3.81Å; L126-V131 HydrophobicContact CD1-CG2 4.41Å; T127-V131 WeakPolarHBondContact O-CG2 3.33Å; T127-V131 PolarHBondContact O-N 3.07Å; V131-L133 VanDerWaalsContact C-N 3.33Å; V131-V134 PolarHBondContact O-N 2.99Å; V131-R135 WeakPolarHBondContact O-CG 3.17Å; V131-R135 PolarHBondContact O-N 3.05Å |
| 132 | A | 92.4 | Very high | 90.8 | Very high | 31 Ų | 31 | 93.9 Ų | 93.9 | 26% | 0.256 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D128 E129 Q130 R135 R136 | D128-A132 VanDerWaalsContact O-CB 3.29Å; D128-A132 WeakPolarHBondContact O-CB 3.38Å; D128-A132 PolarHBondContact O-N 2.92Å; E129-A132 PolarHBondContact O-N 3.31Å; Q130-A132 PolarHBondContact O-N 2.9Å; A132-R135 PolarHBondContact O-N 3.2Å; A132-R136 WeakPolarHBondContact O-CG 3.32Å; A132-R136 PolarHBondContact O-N 3.44Å |
| 133 | L | 93.1 | Very high | 91.2 | Very high | 71 Ų | 71 | 88 Ų | 88 | 37% | 0.372 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60 | -49.7 | 175 | 178.9 | 64.2 | 0 | 0 | 0 | 111.6 | E129 Q130 V131 R135 R136 L137 G143 | E129-L133 WeakPolarHBondContact O-CB 3.38Å; E129-L133 PolarHBondContact O-N 2.92Å; Q130-L133 WeakPolarHBondContact O-CB 3.49Å; Q130-L133 PolarHBondContact O-N 3.38Å; V131-L133 VanDerWaalsContact C-N 3.33Å; L133-R135 VanDerWaalsContact C-N 3.31Å; L133-R135 PolarHBondContact O-N 3.01Å; L133-R136 WeakPolarHBondContact O-CB 3.24Å; L133-R136 PolarHBondContact O-N 2.86Å; L133-R136 VanDerWaalsContact O-N 3.15Å; L133-L137 HydrophobicContact CD1-CD1 4.4Å; L133-L137 HydrophobicContact CD1-CG 4.43Å; L133-L137 HydrophobicContact CG-CD1 4.18Å; L133-L137 WeakPolarHBondContact O-CG 3.4Å; L133-L137 PolarHBondContact O-N 2.62Å; L133-G143 VanDerWaalsContact CD1-CA 3.47Å; L133-G143 WeakPolarHBondContact CD1-O 3.45Å |
| 134 | V | 92.8 | Very high | 91.5 | Very high | 69 Ų | 69 | 91.2 Ų | 91.2 | 42% | 0.418 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.6 | -43.4 | 177.9 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | Q130 V131 R136 L137 Q138 | Q130-V134 WeakPolarHBondContact O-CG2 3.37Å; Q130-V134 PolarHBondContact O-N 3.42Å; V131-V134 PolarHBondContact O-N 2.99Å; V134-R136 PolarHBondContact O-N 2.93Å; V134-L137 PolarHBondContact O-N 3.05Å; V134-Q138 HydrophobicContact CG1-CG 4.47Å; V134-Q138 WeakPolarHBondContact O-CG 3.05Å; V134-Q138 PolarHBondContact O-N 2.85Å |
| 135 | R | 93.3 | Very high | 91.6 | Very high | 143 Ų | 143 | 92 Ų | 92 | 54% | 0.54 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 176.9 | -72.2 | 176.6 | 179.7 | -173.4 | 0.3 | 112.5 | W112 V131 A132 L133 S139 | W112-R135 VanDerWaalsContact CZ3-NH2 3.29Å; V131-R135 WeakPolarHBondContact O-CG 3.17Å; V131-R135 PolarHBondContact O-N 3.05Å; A132-R135 PolarHBondContact O-N 3.2Å; L133-R135 VanDerWaalsContact C-N 3.31Å; L133-R135 PolarHBondContact O-N 3.01Å; R135-S139 WeakPolarHBondContact O-CB 3.2Å; R135-S139 PolarHBondContact O-N 2.7Å; R135-S139 VanDerWaalsContact O-N 3.08Å; R135-S139 PolarHBondContact O-OG 3.36Å |
| 136 | R | 92.9 | Very high | 91.6 | Very high | 67 Ų | 67 | 86.9 Ų | 86.9 | 25% | 0.253 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 173.9 | -72.7 | -179.4 | -157 | 146 | 6.2 | 111.4 | A132 L133 V134 Q138 S139 G140 Q141 F142 G143 | A132-R136 WeakPolarHBondContact O-CG 3.32Å; A132-R136 PolarHBondContact O-N 3.44Å; L133-R136 WeakPolarHBondContact O-CB 3.24Å; L133-R136 PolarHBondContact O-N 2.86Å; L133-R136 VanDerWaalsContact O-N 3.15Å; V134-R136 PolarHBondContact O-N 2.93Å; R136-Q138 PolarHBondContact O-N 3.23Å; R136-S139 WeakPolarHBondContact CA-OG 3.41Å; R136-S139 CarbonylContact O-C 3.48Å; R136-S139 PolarHBondContact O-N 3.31Å; R136-S139 VanDerWaalsContact O-N 3.16Å; R136-S139 PolarHBondContact O-OG 3.03Å; R136-G140 PolarHBondContact O-N 2.85Å; R136-G140 VanDerWaalsContact O-N 3.16Å; R136-Q141 HydrophobicContact CB-CB 4.07Å; R136-Q141 HydrophobicContact CG-CB 4.4Å; R136-Q141 PolarHBondContact O-N 2.81Å; R136-F142 WeakPolarHBondContact CD-O 3.22Å; R136-G143 PolarHBondContact NH1-O 3.34Å |
| 137 | L | 93.3 | Very high | 91.7 | Very high | 107 Ų | 107 | 88.9 Ų | 88.9 | 56% | 0.56 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.4 | -44.3 | 177.9 | -68.7 | 173.1 | 0 | 0 | 0 | 112.1 | L133 V134 S139 G140 | L133-L137 HydrophobicContact CD1-CD1 4.4Å; L133-L137 HydrophobicContact CD1-CG 4.43Å; L133-L137 HydrophobicContact CG-CD1 4.18Å; L133-L137 WeakPolarHBondContact O-CG 3.4Å; L133-L137 PolarHBondContact O-N 2.62Å; V134-L137 PolarHBondContact O-N 3.05Å; L137-S139 VanDerWaalsContact C-N 3.27Å; L137-S139 PolarHBondContact O-N 3.02Å; L137-G140 PolarHBondContact O-N 2.54Å; L137-G140 VanDerWaalsContact O-N 3.09Å |
| 138 | Q | 94.4 | Very high | 91.5 | Very high | 160 Ų | 160 | 89 Ų | 89 | 75% | 0.748 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.3 | -34.1 | 176 | -75.6 | -178.5 | -9 | 0 | 0 | 113 | V134 R136 G140 | V134-Q138 HydrophobicContact CG1-CG 4.47Å; V134-Q138 WeakPolarHBondContact O-CG 3.05Å; V134-Q138 PolarHBondContact O-N 2.85Å; R136-Q138 PolarHBondContact O-N 3.23Å; Q138-G140 VanDerWaalsContact C-N 3.27Å; Q138-G140 PolarHBondContact O-N 3.41Å |
| 139 | S | 93.4 | Very high | 91.4 | Very high | 69 Ų | 69 | 87 Ų | 87 | 48% | 0.483 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 0.8 | 177.2 | 56.8 | 0 | 0 | 0 | 0 | 113.9 | R135 R136 L137 Q141 | R135-S139 WeakPolarHBondContact O-CB 3.2Å; R135-S139 PolarHBondContact O-N 2.7Å; R135-S139 VanDerWaalsContact O-N 3.08Å; R135-S139 PolarHBondContact O-OG 3.36Å; R136-S139 WeakPolarHBondContact CA-OG 3.41Å; R136-S139 CarbonylContact O-C 3.48Å; R136-S139 PolarHBondContact O-N 3.31Å; R136-S139 VanDerWaalsContact O-N 3.16Å; R136-S139 PolarHBondContact O-OG 3.03Å; L137-S139 VanDerWaalsContact C-N 3.27Å; L137-S139 PolarHBondContact O-N 3.02Å; S139-Q141 PolarHBondContact O-N 3.45Å; S139-Q141 WeakPolarHBondContact OG-CG 3.16Å |
| 140 | G | 91.6 | Very high | 91.4 | Very high | 71 Ų | 71 | 88.7 Ų | 88.7 | 73% | 0.732 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.6 | 19.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R136 L137 Q138 | R136-G140 PolarHBondContact O-N 2.85Å; R136-G140 VanDerWaalsContact O-N 3.16Å; L137-G140 PolarHBondContact O-N 2.54Å; L137-G140 VanDerWaalsContact O-N 3.09Å; Q138-G140 VanDerWaalsContact C-N 3.27Å; Q138-G140 PolarHBondContact O-N 3.41Å |
| 141 | Q | 89.6 | Confident | 91.4 | Very high | 116 Ų | 116 | 91 Ų | 91 | 54% | 0.542 | 49% | 0.492 | S | S | . | . | trans | -84.6 | 163.6 | 173.3 | -63.7 | 179 | 2.6 | 0 | 0 | 110.7 | R136 S139 | R136-Q141 HydrophobicContact CB-CB 4.07Å; R136-Q141 HydrophobicContact CG-CB 4.4Å; R136-Q141 PolarHBondContact O-N 2.81Å; S139-Q141 PolarHBondContact O-N 3.45Å; S139-Q141 WeakPolarHBondContact OG-CG 3.16Å | ||
| 142 | F | 90.9 | Very high | 91.4 | Very high | 104 Ų | 104 | 95.2 Ų | 95.2 | 46% | 0.456 | 52% | 0.519 | S | S | . | . | trans | -66.1 | 143.5 | 177.5 | -54.8 | -76.9 | 0 | 0 | 0 | 111.3 | R136 F147 P149 | R136-F142 WeakPolarHBondContact CD-O 3.22Å; F142-F147 HydrophobicContact CB-CB 4.04Å; F142-F147 HydrophobicContact CB-CD1 3.96Å; F142-F147 HydrophobicContact CB-CG 4.24Å; F142-F147 AromaticContact CD1-CD1 3.33Å; F142-F147 HydrophobicContact CD1-CD1 3.33Å; F142-F147 AromaticContact CD1-CE1 3.45Å; F142-F147 HydrophobicContact CD1-CE1 3.45Å; F142-F147 VanDerWaalsContact CD1-CE1 3.45Å; F142-F147 HydrophobicContact CD1-CG 4.16Å; F142-F147 HydrophobicContact CD1-CZ 4.37Å; F142-F147 AromaticContact CD2-CD1 3.65Å; F142-F147 HydrophobicContact CD2-CD1 3.65Å; F142-F147 HydrophobicContact CD2-CE1 4.23Å; F142-F147 AromaticContact CE1-CD1 3.67Å; F142-F147 HydrophobicContact CE1-CD1 3.67Å; F142-F147 AromaticContact CE1-CE1 3.31Å; F142-F147 HydrophobicContact CE1-CE1 3.31Å; F142-F147 HydrophobicContact CE1-CZ 4.24Å; F142-F147 AromaticContact CE2-CD1 3.98Å; F142-F147 HydrophobicContact CE2-CD1 3.98Å; F142-F147 HydrophobicContact CE2-CE1 4.13Å; F142-F147 HydrophobicContact CG-CB 4.34Å; F142-F147 AromaticContact CG-CD1 3.32Å; F142-F147 HydrophobicContact CG-CD1 3.32Å; F142-F147 AromaticContact CG-CE1 3.92Å; F142-F147 HydrophobicContact CG-CE1 3.92Å; F142-F147 HydrophobicContact CG-CG 4.08Å; F142-F147 AromaticContact CZ-CD1 3.98Å; F142-F147 HydrophobicContact CZ-CD1 3.98Å; F142-F147 AromaticContact CZ-CE1 3.68Å; F142-F147 HydrophobicContact CZ-CE1 3.68Å; F142-P149 HydrophobicContact CE2-CB 3.56Å; F142-P149 HydrophobicContact CE2-CG 3.89Å; F142-P149 HydrophobicContact CZ-CB 3.75Å | ||
| 143 | G | 88 | Confident | 91.3 | Very high | 30 Ų | 30 | 98.7 Ų | 98.7 | 31% | 0.309 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -68.1 | -42.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | L133 R136 | L133-G143 VanDerWaalsContact CD1-CA 3.47Å; L133-G143 WeakPolarHBondContact CD1-O 3.45Å; R136-G143 PolarHBondContact NH1-O 3.34Å |
| 144 | D | 88.8 | Confident | 91.2 | Very high | 107 Ų | 107 | 99.6 Ų | 99.6 | 57% | 0.572 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -77.5 | 136.7 | 176.1 | -175.9 | 16.9 | 0 | 0 | 0 | 111.7 | G146 F147 | D144-G146 VanDerWaalsContact C-N 3.3Å; D144-G146 PolarHBondContact OD1-N 3.13Å; D144-F147 HydrophobicContact CB-CB 4.23Å |
| 145 | V | 87.1 | Confident | 91.1 | Very high | 114 Ų | 114 | 100.6 Ų | 100.6 | 69% | 0.691 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -33.4 | 175.2 | -170.6 | 0 | 0 | 0 | 0 | 110.7 | F147 | V145-F147 VanDerWaalsContact C-N 3.33Š|
| 146 | G | 89.8 | Confident | 90.9 | Very high | 62 Ų | 62 | 102.5 Ų | 102.5 | 64% | 0.639 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -6.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | D144 N148 | D144-G146 VanDerWaalsContact C-N 3.3Å; D144-G146 PolarHBondContact OD1-N 3.13Å; G146-N148 PolarHBondContact O-N 2.82Å |
| 147 | F | 90.8 | Very high | 90.6 | Very high | 102 Ų | 102 | 106.7 Ų | 106.7 | 45% | 0.447 | 59% | 0.592 | S | S | . | * | trans | -71.3 | 124.5 | -172.8 | -172.6 | -95.7 | 0 | 0 | 0 | 111.9 | F142 D144 V145 P149 | F142-F147 HydrophobicContact CB-CB 4.04Å; F142-F147 HydrophobicContact CB-CD1 3.96Å; F142-F147 HydrophobicContact CB-CG 4.24Å; F142-F147 AromaticContact CD1-CD1 3.33Å; F142-F147 HydrophobicContact CD1-CD1 3.33Å; F142-F147 AromaticContact CD1-CE1 3.45Å; F142-F147 HydrophobicContact CD1-CE1 3.45Å; F142-F147 VanDerWaalsContact CD1-CE1 3.45Å; F142-F147 HydrophobicContact CD1-CG 4.16Å; F142-F147 HydrophobicContact CD1-CZ 4.37Å; F142-F147 AromaticContact CD2-CD1 3.65Å; F142-F147 HydrophobicContact CD2-CD1 3.65Å; F142-F147 HydrophobicContact CD2-CE1 4.23Å; F142-F147 AromaticContact CE1-CD1 3.67Å; F142-F147 HydrophobicContact CE1-CD1 3.67Å; F142-F147 AromaticContact CE1-CE1 3.31Å; F142-F147 HydrophobicContact CE1-CE1 3.31Å; F142-F147 HydrophobicContact CE1-CZ 4.24Å; F142-F147 AromaticContact CE2-CD1 3.98Å; F142-F147 HydrophobicContact CE2-CD1 3.98Å; F142-F147 HydrophobicContact CE2-CE1 4.13Å; F142-F147 HydrophobicContact CG-CB 4.34Å; F142-F147 AromaticContact CG-CD1 3.32Å; F142-F147 HydrophobicContact CG-CD1 3.32Å; F142-F147 AromaticContact CG-CE1 3.92Å; F142-F147 HydrophobicContact CG-CE1 3.92Å; F142-F147 HydrophobicContact CG-CG 4.08Å; F142-F147 AromaticContact CZ-CD1 3.98Å; F142-F147 HydrophobicContact CZ-CD1 3.98Å; F142-F147 AromaticContact CZ-CE1 3.68Å; F142-F147 HydrophobicContact CZ-CE1 3.68Å; D144-F147 HydrophobicContact CB-CB 4.23Å; V145-F147 VanDerWaalsContact C-N 3.33Å; F147-P149 HydrophobicContact CE1-CB 4.48Å; F147-P149 WeakPolarHBondContact O-CD 3.22Å | ||
| 148 | N | 90.3 | Very high | 90.4 | Very high | 74 Ų | 74 | 105.3 Ų | 105.3 | 40% | 0.396 | 59% | 0.592 | S | S | . | * | trans | -96.8 | 109 | 175 | -179.1 | 10.9 | 0 | 0 | 0 | 110.5 | G146 Y150 E151 | G146-N148 PolarHBondContact O-N 2.82Å; N148-Y150 PolarHBondContact O-N 3.1Å; N148-Y150 PolarHBondContact OD1-N 3.41Å; N148-E151 HydrophobicContact CB-CG 3.87Å | ||
| 149 | P | 89.9 | Confident | 90.1 | Very high | 61 Ų | 61 | 100.6 Ų | 100.6 | 40% | 0.396 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65 | -20.7 | 177.8 | 20.5 | -29.5 | 0 | 0 | 0 | 114.6 | F142 F147 | F142-P149 HydrophobicContact CE2-CB 3.56Å; F142-P149 HydrophobicContact CE2-CG 3.89Å; F142-P149 HydrophobicContact CZ-CB 3.75Å; F147-P149 HydrophobicContact CE1-CB 4.48Å; F147-P149 WeakPolarHBondContact O-CD 3.22Å |
| 150 | Y | 92.6 | Very high | 90 | Very high | 199 Ų | 199 | 103.9 Ų | 103.9 | 78% | 0.78 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.5 | 54.1 | -174.1 | -55.6 | -67.4 | 0 | 0 | 0 | 109.7 | N148 | N148-Y150 PolarHBondContact O-N 3.1Å; N148-Y150 PolarHBondContact OD1-N 3.41Å |
| 151 | E | 91.7 | Very high | 89.9 | Confident | 139 Ų | 139 | 106.7 Ų | 106.7 | 65% | 0.65 | 60% | 0.601 | S | S | * | * | trans | -61.2 | 136.9 | 168.5 | -74.8 | -179 | 179.2 | 0 | 0 | 110.1 | N148 A153 | N148-E151 HydrophobicContact CB-CG 3.87Å; E151-A153 PolarHBondContact O-N 2.86Å | ||
| 152 | P | 92.9 | Very high | 90 | Very high | 103 Ų | 103 | 106.9 Ų | 106.9 | 67% | 0.669 | 60% | 0.603 | S | S | * | * | trans | -61.6 | 134.3 | 177.1 | 26.3 | -33 | 0 | 0 | 0 | 109.2 | V154 | P152-V154 PolarHBondContact O-N 2.83Š| ||
| 153 | A | 89.8 | Confident | 90.1 | Very high | 105 Ų | 105 | 109.3 Ų | 109.3 | 87% | 0.868 | 62% | 0.62 | S | S | * | * | trans | -62.6 | 105.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | E151 D155 | E151-A153 PolarHBondContact O-N 2.86Å; A153-D155 PolarHBondContact O-N 2.76Å | ||
| 154 | V | 91.1 | Very high | 90.4 | Very high | 89 Ų | 89 | 115 Ų | 115 | 54% | 0.539 | 64% | 0.638 | S | S | . | * | trans | -80 | 121.9 | 176.7 | -179.9 | 0 | 0 | 0 | 0 | 108.1 | P152 F156 | P152-V154 PolarHBondContact O-N 2.83Å; V154-F156 HydrophobicContact CB-CD2 4.21Å; V154-F156 HydrophobicContact CB-CE1 4.19Å; V154-F156 HydrophobicContact CB-CE2 3.61Å; V154-F156 HydrophobicContact CB-CZ 3.59Å; V154-F156 HydrophobicContact CG1-CD1 3.91Å; V154-F156 HydrophobicContact CG1-CD2 4.15Å; V154-F156 HydrophobicContact CG1-CE1 3.56Å; V154-F156 HydrophobicContact CG1-CE2 3.82Å; V154-F156 HydrophobicContact CG1-CG 4.2Å; V154-F156 HydrophobicContact CG1-CZ 3.51Å; V154-F156 HydrophobicContact CG2-CZ 4.39Å; V154-F156 WeakPolarHBondContact O-CD2 3.48Å; V154-F156 WeakPolarHBondContact O-CE2 3.15Å; V154-F156 PolarHBondContact O-N 3.15Å; V154-F156 VanDerWaalsContact O-N 3.12Å | ||
| 155 | D | 90 | Very high | 90.6 | Very high | 91 Ų | 91 | 114.7 Ų | 114.7 | 49% | 0.487 | 64% | 0.641 | S | S | . | * | trans | -85.8 | 81.2 | -179.7 | -173.3 | 10.2 | 0 | 0 | 0 | 111.2 | A153 F157 S158 | A153-D155 PolarHBondContact O-N 2.76Å; D155-F157 PolarHBondContact O-N 2.74Å; D155-F157 PolarHBondContact OD1-N 3.23Å; D155-S158 VanDerWaalsContact CG-CB 3.45Å; D155-S158 WeakPolarHBondContact OD1-CA 3.18Å; D155-S158 VanDerWaalsContact OD1-CB 3.25Å; D155-S158 WeakPolarHBondContact OD1-CB 3.44Å; D155-S158 PolarHBondContact OD1-N 3.02Å; D155-S158 PolarHBondContact OD1-OG 3.16Å; D155-S158 WeakPolarHBondContact OD2-CA 3.49Å; D155-S158 WeakPolarHBondContact OD2-CB 3.48Å; D155-S158 PolarHBondContact OD2-OG 2.93Å | ||
| 156 | F | 89.7 | Confident | 90.9 | Very high | 182 Ų | 182 | 115.3 Ų | 115.3 | 80% | 0.798 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -20.1 | -178.7 | -60.4 | -80.2 | 0 | 0 | 0 | 113.8 | V154 | V154-F156 HydrophobicContact CB-CD2 4.21Å; V154-F156 HydrophobicContact CB-CE1 4.19Å; V154-F156 HydrophobicContact CB-CE2 3.61Å; V154-F156 HydrophobicContact CB-CZ 3.59Å; V154-F156 HydrophobicContact CG1-CD1 3.91Å; V154-F156 HydrophobicContact CG1-CD2 4.15Å; V154-F156 HydrophobicContact CG1-CE1 3.56Å; V154-F156 HydrophobicContact CG1-CE2 3.82Å; V154-F156 HydrophobicContact CG1-CG 4.2Å; V154-F156 HydrophobicContact CG1-CZ 3.51Å; V154-F156 HydrophobicContact CG2-CZ 4.39Å; V154-F156 WeakPolarHBondContact O-CD2 3.48Å; V154-F156 WeakPolarHBondContact O-CE2 3.15Å; V154-F156 PolarHBondContact O-N 3.15Å; V154-F156 VanDerWaalsContact O-N 3.12Å |
| 157 | F | 87.1 | Confident | 91.2 | Very high | 155 Ų | 155 | 117.2 Ų | 117.2 | 68% | 0.68 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.5 | -36.3 | -169 | -174.4 | -101 | 0 | 0 | 0 | 113.3 | D155 G159 | D155-F157 PolarHBondContact O-N 2.74Å; D155-F157 PolarHBondContact OD1-N 3.23Å; F157-G159 VanDerWaalsContact C-N 3.29Å; F157-G159 PolarHBondContact O-N 3.31Å |
| 158 | S | 88.8 | Confident | 91.4 | Very high | 79 Ų | 79 | 120 Ų | 120 | 55% | 0.552 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -2 | -177.9 | -6.2 | 0 | 0 | 0 | 0 | 114.3 | D155 D160 | D155-S158 VanDerWaalsContact CG-CB 3.45Å; D155-S158 WeakPolarHBondContact OD1-CA 3.18Å; D155-S158 VanDerWaalsContact OD1-CB 3.25Å; D155-S158 WeakPolarHBondContact OD1-CB 3.44Å; D155-S158 PolarHBondContact OD1-N 3.02Å; D155-S158 PolarHBondContact OD1-OG 3.16Å; D155-S158 WeakPolarHBondContact OD2-CA 3.49Å; D155-S158 WeakPolarHBondContact OD2-CB 3.48Å; D155-S158 PolarHBondContact OD2-OG 2.93Å; S158-D160 PolarHBondContact O-N 3.47Å |
| 159 | G | 88.9 | Confident | 91.6 | Very high | 60 Ų | 60 | 126.2 Ų | 126.2 | 62% | 0.619 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -32.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F157 | F157-G159 VanDerWaalsContact C-N 3.29Å; F157-G159 PolarHBondContact O-N 3.31Å |
| 160 | D | 89.9 | Confident | 91.8 | Very high | 138 Ų | 138 | 128.4 Ų | 128.4 | 74% | 0.738 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -96.7 | 111.3 | -178.7 | -68.3 | -27.8 | 0 | 0 | 0 | 111.2 | S158 M162 | S158-D160 PolarHBondContact O-N 3.47Å; D160-M162 PolarHBondContact O-N 3.41Å |
| 161 | V | 90.3 | Very high | 91.9 | Very high | 131 Ų | 131 | 122.3 Ų | 122.3 | 79% | 0.794 | 69% | 0.687 | S | S | * | * | trans | -76.2 | 120.5 | 179 | -177.7 | 0 | 0 | 0 | 0 | 110.5 | I163 | V161-I163 PolarHBondContact O-N 2.9Š| ||
| 162 | M | 91.4 | Very high | 92 | Very high | 120 Ų | 120 | 119 Ų | 119 | 59% | 0.591 | 67% | 0.674 | S | S | * | * | trans | -74.1 | 119.8 | 174.8 | -66.7 | -172.5 | -74 | 0 | 0 | 111.4 | D160 V166 | D160-M162 PolarHBondContact O-N 3.41Å; M162-V166 HydrophobicContact CE-CG2 4.14Å | ||
| 163 | I | 94.3 | Very high | 92.1 | Very high | 155 Ų | 155 | 122.3 Ų | 122.3 | 80% | 0.795 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -74.1 | -34.5 | 177.3 | -59.7 | 168.5 | 0 | 0 | 0 | 111.3 | V161 | V161-I163 PolarHBondContact O-N 2.9Š|
| 164 | H | 93.1 | Very high | 92.3 | Very high | 150 Ų | 150 | 126.4 Ų | 126.4 | 69% | 0.694 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -99.3 | 149.7 | -177.5 | -62.8 | -52.8 | 0 | 0 | 0 | 111.4 | ||
| 165 | P | 94.3 | Very high | 92.4 | Very high | 99 Ų | 99 | 126.6 Ų | 126.6 | 64% | 0.643 | 68% | 0.676 | S | S | * | * | trans | -64.2 | 151.2 | 170 | 30.1 | -35.4 | 0 | 0 | 0 | 110 | T167 | P165-T167 PolarHBondContact O-N 3.27Š| ||
| 166 | V | 93 | Very high | 92.7 | Very high | 127 Ų | 127 | 130.1 Ų | 130.1 | 77% | 0.77 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -57.8 | -33.2 | 178.6 | -179.2 | 0 | 0 | 0 | 0 | 112 | M162 | M162-V166 HydrophobicContact CE-CG2 4.14Š|
| 167 | T | 95.4 | Very high | 92.9 | Very high | 102 Ų | 102 | 126.1 Ų | 126.1 | 63% | 0.626 | 67% | 0.673 | S | S | * | * | trans | -125.7 | 129.1 | -179.1 | 61.9 | 0 | 0 | 0 | 0 | 111.9 | P165 R169 | P165-T167 PolarHBondContact O-N 3.27Å; T167-R169 VanDerWaalsContact C-N 3.3Å; T167-R169 PolarHBondContact O-N 3.08Å | ||
| 168 | N | 94.6 | Very high | 93.3 | Very high | 161 Ų | 161 | 124.2 Ų | 124.2 | 86% | 0.861 | 68% | 0.676 | S | S | * | * | trans | -92 | 53.4 | 172.4 | -169.1 | 17.2 | 0 | 0 | 0 | 111.8 | ||||
| 169 | R | 94.9 | Very high | 93.7 | Very high | 204 Ų | 204 | 122.5 Ų | 122.5 | 77% | 0.77 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 126 | 175.6 | -168.2 | 177.3 | -178.1 | 125.3 | -0.2 | 108.5 | T167 | T167-R169 VanDerWaalsContact C-N 3.3Å; T167-R169 PolarHBondContact O-N 3.08Å |
| 170 | P | 95.1 | Very high | 93.9 | Very high | 107 Ų | 107 | 125.9 Ų | 125.9 | 70% | 0.695 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 143.5 | 177.7 | 26.2 | -34.1 | 0 | 0 | 0 | 110.2 | ||
| 171 | A | 93.3 | Very high | 94.2 | Very high | 72 Ų | 72 | 123.6 Ų | 123.6 | 60% | 0.595 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 141.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F176 | A171-F176 HydrophobicContact CB-CE2 3.7Å; A171-F176 HydrophobicContact CB-CZ 4.02Å |
| 172 | D | 95.3 | Very high | 94.5 | Very high | 69 Ų | 69 | 123.3 Ų | 123.3 | 37% | 0.369 | 65% | 0.648 | S | S | . | * | P | Polyproline II helix | trans | -75.7 | 146.9 | 177.1 | -68.9 | -31.7 | 0 | 0 | 0 | 111.7 | R174 S175 | D172-R174 HydrophobicContact CB-CG 3.83Å; D172-R174 PolarHBondContact O-N 3.11Å; D172-R174 IonicContact OD2-CZ 3.3Å; D172-R174 VanDerWaalsContact OD2-CZ 3.3Å; D172-R174 IonicContact OD2-NE 3.03Å; D172-R174 PolarHBondContact OD2-NE 3.06Å; D172-R174 IonicContact OD2-NH2 2.75Å; D172-R174 PolarHBondContact OD2-NH2 3.3Å; D172-S175 PolarHBondContact O-N 3.07Å; D172-S175 VanDerWaalsContact O-N 3.15Å |
| 173 | K | 95.1 | Very high | 94.7 | Very high | 172 Ų | 172 | 124.7 Ų | 124.7 | 75% | 0.748 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -59.3 | -30.8 | 177.5 | -67.4 | -176.4 | 178.3 | -178.5 | 0 | 113.8 | S175 F176 I177 | K173-S175 PolarHBondContact O-N 2.85Å; K173-F176 PolarHBondContact O-N 3.16Å; K173-F176 VanDerWaalsContact O-N 3.14Å; K173-I177 HydrophobicContact CB-CD1 4.2Å; K173-I177 WeakPolarHBondContact O-CG1 3.44Å; K173-I177 PolarHBondContact O-N 2.73Å; K173-I177 VanDerWaalsContact O-N 3.15Å |
| 174 | R | 93.5 | Very high | 94.9 | Very high | 192 Ų | 192 | 122.4 Ų | 122.4 | 73% | 0.725 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -64.3 | -20.3 | 179.3 | 65.5 | -175.5 | 166.1 | 167.9 | -1.7 | 114 | D172 F176 | D172-R174 HydrophobicContact CB-CG 3.83Å; D172-R174 PolarHBondContact O-N 3.11Å; D172-R174 IonicContact OD2-CZ 3.3Å; D172-R174 VanDerWaalsContact OD2-CZ 3.3Å; D172-R174 IonicContact OD2-NE 3.03Å; D172-R174 PolarHBondContact OD2-NE 3.06Å; D172-R174 IonicContact OD2-NH2 2.75Å; D172-R174 PolarHBondContact OD2-NH2 3.3Å; R174-F176 VanDerWaalsContact C-N 3.29Å |
| 175 | S | 93.2 | Very high | 95.1 | Very high | 92 Ų | 92 | 121.4 Ų | 121.4 | 64% | 0.643 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -75.4 | -22.7 | 176.5 | -56.3 | 0 | 0 | 0 | 0 | 112.2 | D172 K173 | D172-S175 PolarHBondContact O-N 3.07Å; D172-S175 VanDerWaalsContact O-N 3.15Å; K173-S175 PolarHBondContact O-N 2.85Å |
| 176 | F | 95.1 | Very high | 95.2 | Very high | 166 Ų | 166 | 120.2 Ų | 120.2 | 73% | 0.728 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | -22.1 | -178.1 | -58.7 | -75.9 | 0 | 0 | 0 | 113.3 | A171 K173 R174 | A171-F176 HydrophobicContact CB-CE2 3.7Å; A171-F176 HydrophobicContact CB-CZ 4.02Å; K173-F176 PolarHBondContact O-N 3.16Å; K173-F176 VanDerWaalsContact O-N 3.14Å; R174-F176 VanDerWaalsContact C-N 3.29Å |
| 177 | I | 95.4 | Very high | 95.4 | Very high | 98 Ų | 98 | 117.4 Ų | 117.4 | 50% | 0.503 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -97.6 | 145.1 | -179.3 | -60.9 | 172.5 | 0 | 0 | 0 | 108.6 | K173 | K173-I177 HydrophobicContact CB-CD1 4.2Å; K173-I177 WeakPolarHBondContact O-CG1 3.44Å; K173-I177 PolarHBondContact O-N 2.73Å; K173-I177 VanDerWaalsContact O-N 3.15Å |
| 178 | P | 95.4 | Very high | 95.4 | Very high | 114 Ų | 114 | 120.3 Ų | 120.3 | 74% | 0.74 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 148 | 171.5 | 22.3 | -35.6 | 0 | 0 | 0 | 112 | L180 | P178-L180 PolarHBondContact O-N 3.29Š|
| 179 | S | 96 | Very high | 95.4 | Very high | 44 Ų | 44 | 117.5 Ų | 117.5 | 31% | 0.308 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -70.8 | 133.6 | -166.3 | 89 | 0 | 0 | 0 | 0 | 112.6 | V181 E182 K183 | S179-V181 VanDerWaalsContact C-N 3.31Å; S179-E182 WeakPolarHBondContact CB-OE2 3.43Å; S179-E182 WeakPolarHBondContact OG-CB 3.35Å; S179-E182 WeakPolarHBondContact OG-CG 3.37Å; S179-E182 PolarHBondContact OG-N 2.83Å; S179-E182 VanDerWaalsContact OG-N 3.17Å; S179-E182 PolarHBondContact OG-OE2 3.32Å; S179-K183 PolarHBondContact O-N 2.99Å |
| 180 | L | 93.4 | Very high | 95.5 | Very high | 131 Ų | 131 | 111.9 Ų | 111.9 | 69% | 0.686 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -70.5 | -30 | 176.7 | -69.3 | 174.4 | 0 | 0 | 0 | 112.2 | P178 K183 E184 | P178-L180 PolarHBondContact O-N 3.29Å; L180-K183 HydrophobicContact CD2-CD 4.46Å; L180-K183 WeakPolarHBondContact O-CB 3.38Å; L180-K183 PolarHBondContact O-N 3.31Å; L180-E184 PolarHBondContact O-N 2.66Å |
| 181 | V | 95.6 | Very high | 95.5 | Very high | 90 Ų | 90 | 111.3 Ų | 111.3 | 55% | 0.545 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.4 | -41.6 | 178.7 | 178.6 | 0 | 0 | 0 | 0 | 110.7 | S179 K183 E184 K185 | S179-V181 VanDerWaalsContact C-N 3.31Å; V181-K183 VanDerWaalsContact C-N 3.34Å; V181-E184 PolarHBondContact O-N 3.22Å; V181-K185 HydrophobicContact CG1-CD 4.42Å; V181-K185 WeakPolarHBondContact O-CG 3.38Å; V181-K185 PolarHBondContact O-N 2.77Å |
| 182 | E | 96.3 | Very high | 95.7 | Very high | 124 Ų | 124 | 108.4 Ų | 108.4 | 58% | 0.579 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.4 | -41.4 | 173.5 | -70.7 | 162.2 | 165.3 | 0 | 0 | 110.9 | S179 E184 K185 V186 | S179-E182 WeakPolarHBondContact CB-OE2 3.43Å; S179-E182 WeakPolarHBondContact OG-CB 3.35Å; S179-E182 WeakPolarHBondContact OG-CG 3.37Å; S179-E182 PolarHBondContact OG-N 2.83Å; S179-E182 VanDerWaalsContact OG-N 3.17Å; S179-E182 PolarHBondContact OG-OE2 3.32Å; E182-E184 VanDerWaalsContact C-N 3.27Å; E182-E184 PolarHBondContact O-N 3.38Å; E182-K185 PolarHBondContact O-N 2.85Å; E182-V186 WeakPolarHBondContact O-CB 3.45Å; E182-V186 VanDerWaalsContact O-CG2 3.27Å; E182-V186 WeakPolarHBondContact O-CG2 3.42Å; E182-V186 PolarHBondContact O-N 2.95Å |
| 183 | K | 96.9 | Very high | 95.6 | Very high | 149 Ų | 149 | 108.7 Ų | 108.7 | 65% | 0.648 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -55.7 | -43.5 | 174.3 | -179.1 | -176.2 | 175.2 | -177.2 | 0 | 111.8 | S179 L180 V181 S187 | S179-K183 PolarHBondContact O-N 2.99Å; L180-K183 HydrophobicContact CD2-CD 4.46Å; L180-K183 WeakPolarHBondContact O-CB 3.38Å; L180-K183 PolarHBondContact O-N 3.31Å; V181-K183 VanDerWaalsContact C-N 3.34Å; K183-S187 WeakPolarHBondContact O-CB 3.43Å; K183-S187 PolarHBondContact O-N 2.97Å; K183-S187 PolarHBondContact O-OG 3.49Å |
| 184 | E | 97.3 | Very high | 95.6 | Very high | 107 Ų | 107 | 108.8 Ų | 108.8 | 50% | 0.5 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.6 | -40.1 | 177.8 | -161 | -163 | 142.8 | 0 | 0 | 112.5 | L180 V181 E182 S187 R188 | L180-E184 PolarHBondContact O-N 2.66Å; V181-E184 PolarHBondContact O-N 3.22Å; E182-E184 VanDerWaalsContact C-N 3.27Å; E182-E184 PolarHBondContact O-N 3.38Å; E184-S187 WeakPolarHBondContact CA-OG 3.44Å; E184-S187 PolarHBondContact O-N 3.29Å; E184-S187 PolarHBondContact O-OG 2.88Å; E184-R188 WeakPolarHBondContact O-CB 3.37Å; E184-R188 PolarHBondContact O-N 3.28Å; E184-R188 IonicContact OE1-NH2 2.88Å; E184-R188 PolarHBondContact OE1-NH2 3.09Å |
| 185 | K | 97.5 | Very high | 95.7 | Very high | 129 Ų | 129 | 104.4 Ų | 104.4 | 56% | 0.561 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.9 | -45.5 | 174.4 | -73.1 | 174.9 | 179.1 | 179.3 | 0 | 111.2 | V181 E182 R188 M189 | V181-K185 HydrophobicContact CG1-CD 4.42Å; V181-K185 WeakPolarHBondContact O-CG 3.38Å; V181-K185 PolarHBondContact O-N 2.77Å; E182-K185 PolarHBondContact O-N 2.85Å; K185-R188 PolarHBondContact O-N 2.91Å; K185-M189 WeakPolarHBondContact O-CG 3.29Å; K185-M189 PolarHBondContact O-N 3.37Å |
| 186 | V | 96.4 | Very high | 95.7 | Very high | 75 Ų | 75 | 102.4 Ų | 102.4 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.2 | -44.6 | 177 | 173 | 0 | 0 | 0 | 0 | 110.5 | E182 R188 M189 V190 | E182-V186 WeakPolarHBondContact O-CB 3.45Å; E182-V186 VanDerWaalsContact O-CG2 3.27Å; E182-V186 WeakPolarHBondContact O-CG2 3.42Å; E182-V186 PolarHBondContact O-N 2.95Å; V186-R188 VanDerWaalsContact C-N 3.31Å; V186-R188 PolarHBondContact O-N 3.23Å; V186-M189 HydrophobicContact CG2-CE 4.08Å; V186-M189 PolarHBondContact O-N 2.83Å; V186-V190 HydrophobicContact CG1-CG2 4.2Å; V186-V190 WeakPolarHBondContact O-CB 3.43Å; V186-V190 VanDerWaalsContact O-CG2 3.24Å; V186-V190 WeakPolarHBondContact O-CG2 3.44Å; V186-V190 PolarHBondContact O-N 3.4Å |
| 187 | S | 97.2 | Very high | 95.5 | Very high | 67 Ų | 67 | 104.1 Ų | 104.1 | 47% | 0.469 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.3 | -38.7 | 178.1 | 73 | 0 | 0 | 0 | 0 | 112.2 | K183 E184 V190 H191 | K183-S187 WeakPolarHBondContact O-CB 3.43Å; K183-S187 PolarHBondContact O-N 2.97Å; K183-S187 PolarHBondContact O-OG 3.49Å; E184-S187 WeakPolarHBondContact CA-OG 3.44Å; E184-S187 PolarHBondContact O-N 3.29Å; E184-S187 PolarHBondContact O-OG 2.88Å; S187-V190 PolarHBondContact O-N 3.38Å; S187-H191 WeakPolarHBondContact O-CB 3.23Å; S187-H191 PolarHBondContact O-N 3.03Å |
| 188 | R | 96.4 | Very high | 95.3 | Very high | 163 Ų | 163 | 103.6 Ų | 103.6 | 62% | 0.615 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.9 | -44.5 | 175.1 | -166.5 | -178.6 | -58.5 | 176.9 | 2.2 | 112.3 | E184 K185 V186 H191 A192 | E184-R188 WeakPolarHBondContact O-CB 3.37Å; E184-R188 PolarHBondContact O-N 3.28Å; E184-R188 IonicContact OE1-NH2 2.88Å; E184-R188 PolarHBondContact OE1-NH2 3.09Å; K185-R188 PolarHBondContact O-N 2.91Å; V186-R188 VanDerWaalsContact C-N 3.31Å; V186-R188 PolarHBondContact O-N 3.23Å; R188-H191 PolarHBondContact O-N 3.26Å; R188-A192 PolarHBondContact O-N 2.85Å |
| 189 | M | 94.6 | Very high | 94.9 | Very high | 102 Ų | 102 | 106.4 Ų | 106.4 | 50% | 0.502 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63 | -45.3 | 175 | -71.8 | -173.1 | -63.3 | 0 | 0 | 111.6 | K185 V186 H191 A192 I193 | K185-M189 WeakPolarHBondContact O-CG 3.29Å; K185-M189 PolarHBondContact O-N 3.37Å; V186-M189 HydrophobicContact CG2-CE 4.08Å; V186-M189 PolarHBondContact O-N 2.83Å; M189-H191 VanDerWaalsContact C-N 3.29Å; M189-H191 PolarHBondContact O-N 3.32Å; M189-A192 PolarHBondContact O-N 2.79Å; M189-I193 VanDerWaalsContact O-CG1 3.28Å; M189-I193 WeakPolarHBondContact O-CG1 3.1Å; M189-I193 PolarHBondContact O-N 2.99Å |
| 190 | V | 95.6 | Very high | 94.5 | Very high | 86 Ų | 86 | 108.8 Ų | 108.8 | 52% | 0.521 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.7 | -40.5 | 176.5 | 170.3 | 0 | 0 | 0 | 0 | 111 | V186 S187 I193 K194 | V186-V190 HydrophobicContact CG1-CG2 4.2Å; V186-V190 WeakPolarHBondContact O-CB 3.43Å; V186-V190 VanDerWaalsContact O-CG2 3.24Å; V186-V190 WeakPolarHBondContact O-CG2 3.44Å; V186-V190 PolarHBondContact O-N 3.4Å; S187-V190 PolarHBondContact O-N 3.38Å; V190-I193 PolarHBondContact O-N 2.93Å; V190-K194 WeakPolarHBondContact O-CB 3.47Å; V190-K194 PolarHBondContact O-N 3.22Å |
| 191 | H | 96 | Very high | 94.1 | Very high | 95 Ų | 95 | 114.4 Ų | 114.4 | 44% | 0.44 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.6 | -46.8 | 175 | -175.4 | 83.1 | 0 | 0 | 0 | 111.9 | S187 R188 M189 I193 K194 M195 | S187-H191 WeakPolarHBondContact O-CB 3.23Å; S187-H191 PolarHBondContact O-N 3.03Å; R188-H191 PolarHBondContact O-N 3.26Å; M189-H191 VanDerWaalsContact C-N 3.29Å; M189-H191 PolarHBondContact O-N 3.32Å; H191-I193 VanDerWaalsContact C-N 3.3Å; H191-I193 PolarHBondContact O-N 3.07Å; H191-K194 WeakPolarHBondContact O-CB 3.32Å; H191-K194 PolarHBondContact O-N 3.38Å; H191-K194 VanDerWaalsContact O-N 3.15Å; H191-M195 WeakPolarHBondContact CE1-CE 3.35Å; H191-M195 WeakPolarHBondContact O-CG 3.32Å; H191-M195 PolarHBondContact O-N 3.07Å |
| 192 | A | 96.7 | Very high | 93.3 | Very high | 12 Ų | 12 | 120.2 Ų | 120.2 | 10% | 0.099 | 57% | 0.567 | C | S | . | * | H | α-helix | trans | -62.2 | -36.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | R188 M189 G196 W197 I198 | R188-A192 PolarHBondContact O-N 2.85Å; M189-A192 PolarHBondContact O-N 2.79Å; A192-G196 PolarHBondContact O-N 2.82Å; A192-G196 VanDerWaalsContact O-N 3.16Å; A192-W197 HydrophobicContact CB-CB 4.5Å; A192-W197 HydrophobicContact CB-CE3 4.4Å; A192-W197 PolarHBondContact O-N 3.01Å; A192-I198 HydrophobicContact CB-CB 4.43Å; A192-I198 HydrophobicContact CB-CD1 3.7Å; A192-I198 HydrophobicContact CB-CG1 3.97Å; A192-I198 PolarHBondContact O-N 3.45Å |
| 193 | I | 94.3 | Very high | 92.6 | Very high | 75 Ų | 75 | 119.4 Ų | 119.4 | 39% | 0.385 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.3 | -45.6 | 172.5 | -67 | 163.6 | 0 | 0 | 0 | 110.6 | M189 V190 H191 M195 G196 I198 | M189-I193 VanDerWaalsContact O-CG1 3.28Å; M189-I193 WeakPolarHBondContact O-CG1 3.1Å; M189-I193 PolarHBondContact O-N 2.99Å; V190-I193 PolarHBondContact O-N 2.93Å; H191-I193 VanDerWaalsContact C-N 3.3Å; H191-I193 PolarHBondContact O-N 3.07Å; I193-M195 VanDerWaalsContact C-N 3.29Å; I193-M195 PolarHBondContact O-N 3.39Å; I193-G196 WeakPolarHBondContact O-CA 3.43Å; I193-G196 PolarHBondContact O-N 2.91Å; I193-I198 WeakPolarHBondContact CA-O 3.35Å; I193-I198 HydrophobicContact CG1-CB 4.16Å; I193-I198 HydrophobicContact CG1-CG2 4.19Å; I193-I198 WeakPolarHBondContact CG1-O 3.31Å |
| 194 | K | 94.8 | Very high | 91.8 | Very high | 173 Ų | 173 | 123.8 Ų | 123.8 | 75% | 0.752 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -61.4 | -37.4 | 179.1 | -173.7 | 177.3 | -179.2 | 178 | 0 | 112.4 | V190 H191 G196 | V190-K194 WeakPolarHBondContact O-CB 3.47Å; V190-K194 PolarHBondContact O-N 3.22Å; H191-K194 WeakPolarHBondContact O-CB 3.32Å; H191-K194 PolarHBondContact O-N 3.38Å; H191-K194 VanDerWaalsContact O-N 3.15Å; K194-G196 PolarHBondContact O-N 3.3Å |
| 195 | M | 96 | Very high | 90.9 | Very high | 100 Ų | 100 | 123.9 Ų | 123.9 | 49% | 0.493 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.8 | -5.7 | 174.7 | -63.9 | -57.3 | 175.6 | 0 | 0 | 113.2 | H191 I193 W197 | H191-M195 WeakPolarHBondContact CE1-CE 3.35Å; H191-M195 WeakPolarHBondContact O-CG 3.32Å; H191-M195 PolarHBondContact O-N 3.07Å; I193-M195 VanDerWaalsContact C-N 3.29Å; I193-M195 PolarHBondContact O-N 3.39Å; M195-W197 VanDerWaalsContact C-N 3.33Å; M195-W197 HydrophobicContact CB-CD2 4.21Å; M195-W197 HydrophobicContact CB-CG 4.34Å; M195-W197 PolarHBondContact O-N 3.23Å |
| 196 | G | 92.4 | Very high | 90 | Very high | 50 Ų | 50 | 123.7 Ų | 123.7 | 52% | 0.515 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 78.8 | 9.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | A192 I193 K194 I198 | A192-G196 PolarHBondContact O-N 2.82Å; A192-G196 VanDerWaalsContact O-N 3.16Å; I193-G196 WeakPolarHBondContact O-CA 3.43Å; I193-G196 PolarHBondContact O-N 2.91Å; K194-G196 PolarHBondContact O-N 3.3Å; G196-I198 VanDerWaalsContact C-N 3.35Å |
| 197 | W | 92.4 | Very high | 89.1 | Confident | 203 Ų | 203 | 125.2 Ų | 125.2 | 77% | 0.769 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -73.6 | -29 | 178.1 | -59.6 | -13.4 | 0 | 0 | 0 | 112.6 | A192 M195 | A192-W197 HydrophobicContact CB-CB 4.5Å; A192-W197 HydrophobicContact CB-CE3 4.4Å; A192-W197 PolarHBondContact O-N 3.01Å; M195-W197 VanDerWaalsContact C-N 3.33Å; M195-W197 HydrophobicContact CB-CD2 4.21Å; M195-W197 HydrophobicContact CB-CG 4.34Å; M195-W197 PolarHBondContact O-N 3.23Å |
| 198 | I | 90.6 | Very high | 88.2 | Confident | 86 Ų | 86 | 126 Ų | 126 | 44% | 0.441 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -123.7 | 121.6 | 177.3 | -61.5 | 177.8 | 0 | 0 | 0 | 107.6 | A192 I193 G196 | A192-I198 HydrophobicContact CB-CB 4.43Å; A192-I198 HydrophobicContact CB-CD1 3.7Å; A192-I198 HydrophobicContact CB-CG1 3.97Å; A192-I198 PolarHBondContact O-N 3.45Å; I193-I198 WeakPolarHBondContact CA-O 3.35Å; I193-I198 HydrophobicContact CG1-CB 4.16Å; I193-I198 HydrophobicContact CG1-CG2 4.19Å; I193-I198 WeakPolarHBondContact CG1-O 3.31Å; G196-I198 VanDerWaalsContact C-N 3.35Å |
| 199 | Q | 86 | Confident | 87.2 | Confident | 174 Ų | 174 | 122.3 Ų | 122.3 | 81% | 0.813 | 61% | 0.613 | S | S | * | * | trans | -89.8 | 133.7 | 171.6 | -69.1 | -170 | -12.4 | 0 | 0 | 109.9 | ||||
| 200 | P | 87.6 | Confident | 86.4 | Confident | 93 Ų | 93 | 125.8 Ų | 125.8 | 60% | 0.604 | 63% | 0.626 | S | S | * | * | trans | -60 | 146.1 | 171.2 | 27.1 | -32.9 | 0 | 0 | 0 | 108.9 | R202 | P200-R202 PolarHBondContact O-N 3.17Š| ||
| 201 | R | 84.7 | Confident | 85.6 | Confident | 250 Ų | 250 | 130.6 Ų | 130.6 | 94% | 0.943 | 64% | 0.636 | S | S | * | * | trans | -57.5 | 112.5 | 178.6 | -80.4 | -174.5 | 166.8 | 179.9 | -3.7 | 109.3 | ||||
| 202 | R | 78.9 | Confident | 84.8 | Confident | 211 Ų | 211 | 131.8 Ų | 131.8 | 80% | 0.796 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 136.4 | 170.8 | -164.5 | 174.5 | 179.8 | 163.3 | -1.2 | 108.2 | P200 R204 | P200-R202 PolarHBondContact O-N 3.17Å; R202-R204 PolarHBondContact O-N 2.87Å |
| 203 | P | 83.3 | Confident | 84 | Confident | 108 Ų | 108 | 138.4 Ų | 138.4 | 70% | 0.701 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 130.6 | 169.3 | 22.3 | -31.5 | 0 | 0 | 0 | 108.5 | D205 | P203-D205 PolarHBondContact O-N 3.29Š|
| 204 | R | 78.9 | Confident | 83.1 | Confident | 241 Ų | 241 | 145.3 Ų | 145.3 | 91% | 0.909 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -72 | 125.4 | -177.6 | -170.6 | 169.7 | 175.2 | 166.7 | -1.8 | 108 | R202 | R202-R204 PolarHBondContact O-N 2.87Š|
| 205 | D | 79.6 | Confident | 81.7 | Confident | 109 Ų | 109 | 140.8 Ų | 140.8 | 58% | 0.583 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 127 | 174.7 | -65 | -45.5 | 0 | 0 | 0 | 108.6 | P203 T207 | P203-D205 PolarHBondContact O-N 3.29Å; D205-T207 PolarHBondContact O-N 3.15Å |
| 206 | P | 77.3 | Confident | 80 | Confident | 124 Ų | 124 | 145.5 Ų | 145.5 | 81% | 0.805 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -76 | -9.7 | -176.1 | 30.9 | -35.6 | 0 | 0 | 0 | 112.5 | P208 | P206-P208 WeakPolarHBondContact O-CD 3.43Š|
| 207 | T | 77.9 | Confident | 78.1 | Confident | 107 Ų | 107 | 155.7 Ų | 155.7 | 66% | 0.656 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -75.4 | 121.2 | 177.3 | 46.8 | 0 | 0 | 0 | 0 | 109.5 | D205 S209 | D205-T207 PolarHBondContact O-N 3.15Å; T207-S209 PolarHBondContact O-N 2.7Å |
| 208 | P | 77.4 | Confident | 77.4 | Confident | 84 Ų | 84 | 153.4 Ų | 153.4 | 55% | 0.545 | 75% | 0.749 | S | S | . | * | trans | -62.5 | 134.4 | 170 | -9 | 22.4 | 0 | 0 | 0 | 108.4 | P206 F210 | P206-P208 WeakPolarHBondContact O-CD 3.43Å; P208-F210 HydrophobicContact CB-CD2 4.12Å; P208-F210 HydrophobicContact CB-CE1 4.14Å; P208-F210 HydrophobicContact CB-CE2 3.53Å; P208-F210 HydrophobicContact CB-CZ 3.55Å; P208-F210 HydrophobicContact CG-CD2 4.49Å; P208-F210 HydrophobicContact CG-CE2 3.56Å; P208-F210 HydrophobicContact CG-CZ 3.69Å; P208-F210 WeakPolarHBondContact O-CD2 3.38Å; P208-F210 PolarHBondContact O-N 2.72Å | ||
| 209 | S | 76.6 | Confident | 76.7 | Confident | 85 Ų | 85 | 156.9 Ų | 156.9 | 59% | 0.594 | 77% | 0.765 | S | S | * | * | trans | -73.6 | 93.5 | 174.9 | -175.3 | 0 | 0 | 0 | 0 | 108.5 | T207 Y211 | T207-S209 PolarHBondContact O-N 2.7Å; S209-Y211 WeakPolarHBondContact OG-CE2 3.43Å; S209-Y211 VanDerWaalsContact OG-CZ 3.27Å; S209-Y211 PolarHBondContact OG-OH 3.36Å | ||
| 210 | F | 78 | Confident | 76.2 | Confident | 176 Ų | 176 | 155.9 Ų | 155.9 | 77% | 0.772 | 76% | 0.762 | S | S | * | * | trans | -90.6 | 121.7 | 168 | -58.2 | -68.8 | 0 | 0 | 0 | 108 | P208 | P208-F210 HydrophobicContact CB-CD2 4.12Å; P208-F210 HydrophobicContact CB-CE1 4.14Å; P208-F210 HydrophobicContact CB-CE2 3.53Å; P208-F210 HydrophobicContact CB-CZ 3.55Å; P208-F210 HydrophobicContact CG-CD2 4.49Å; P208-F210 HydrophobicContact CG-CE2 3.56Å; P208-F210 HydrophobicContact CG-CZ 3.69Å; P208-F210 WeakPolarHBondContact O-CD2 3.38Å; P208-F210 PolarHBondContact O-N 2.72Å | ||
| 211 | Y | 77.9 | Confident | 75.5 | Confident | 187 Ų | 187 | 159.6 Ų | 159.6 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | trans | -99 | 124.2 | 169.7 | -65.5 | -80.5 | 0 | 0 | 0 | 107.9 | S209 L213 | S209-Y211 WeakPolarHBondContact OG-CE2 3.43Å; S209-Y211 VanDerWaalsContact OG-CZ 3.27Å; S209-Y211 PolarHBondContact OG-OH 3.36Å; Y211-L213 PolarHBondContact O-N 3.23Å | ||
| 212 | D | 79.9 | Confident | 75 | Confident | 120 Ų | 120 | 154 Ų | 154 | 64% | 0.642 | 76% | 0.761 | S | S | * | * | trans | -78.8 | 108.8 | 172.2 | -170.1 | 0.5 | 0 | 0 | 0 | 108.9 | W214 | D212-W214 VanDerWaalsContact C-N 3.26Å; D212-W214 PolarHBondContact O-N 3.16Å; D212-W214 PolarHBondContact OD1-N 2.9Å; D212-W214 VanDerWaalsContact OD1-N 3.15Å | ||
| 213 | L | 78.6 | Confident | 74.7 | Confident | 151 Ų | 151 | 150.2 Ų | 150.2 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -82.8 | -2.4 | -177.6 | -64 | 171.8 | 0 | 0 | 0 | 112.8 | Y211 | Y211-L213 PolarHBondContact O-N 3.23Š|
| 214 | W | 75.4 | Confident | 74.1 | Confident | 220 Ų | 220 | 153.2 Ų | 153.2 | 83% | 0.833 | 76% | 0.762 | S | S | * | * | trans | -117.6 | 5.1 | -167.7 | -58.7 | 94.6 | 0 | 0 | 0 | 114.2 | D212 Q216 | D212-W214 VanDerWaalsContact C-N 3.26Å; D212-W214 PolarHBondContact O-N 3.16Å; D212-W214 PolarHBondContact OD1-N 2.9Å; D212-W214 VanDerWaalsContact OD1-N 3.15Å; W214-Q216 PolarHBondContact O-N 2.67Å | ||
| 215 | A | 66.3 | Low | 73.7 | Confident | 78 Ų | 78 | 146.5 Ų | 146.5 | 65% | 0.645 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -76.7 | 1.8 | -176 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 216 | Q | 59.9 | Low | 73.2 | Confident | 198 Ų | 198 | 149.6 Ų | 149.6 | 93% | 0.925 | 77% | 0.765 | S | S | * | * | trans | -126.4 | 87.6 | 174.7 | -69.1 | -170.9 | -2 | 0 | 0 | 110.5 | W214 | W214-Q216 PolarHBondContact O-N 2.67Š| ||
| 217 | E | 53.3 | Low | 72.8 | Confident | 265 Ų | 265 | 151.9 Ų | 151.9 | 100% | 1.238 | 76% | 0.761 | S | S | * | * | trans | -137.3 | 0 | 149.4 | -164.1 | 165.7 | -152.6 | 0 | 0 | 109.2 |
Retrieved 217 of 217 residues in 176.1 ms
(Link to these results)