| 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 | 36.3 | Very low | 35.2 | Very low | 236 Ų | 236 | 177.5 Ų | 177.5 | 100% | 1.163 | 85% | 0.854 | S | S | * | * | 0 | 107.3 | 0 | -70.6 | 166.4 | 65.6 | 0 | 0 | 108.1 | |||||
| 2 | L | 40.7 | Very low | 35.1 | Very low | 143 Ų | 143 | 176.3 Ų | 176.3 | 75% | 0.749 | 85% | 0.852 | S | S | * | * | trans | -69.2 | 153.6 | 160.3 | -76.1 | 152.1 | 0 | 0 | 0 | 108 | ||||
| 3 | P | 45.4 | Very low | 34.8 | Very low | 126 Ų | 126 | 176.3 Ų | 176.3 | 82% | 0.818 | 85% | 0.85 | S | S | * | * | -135.3 | 136.9 | 117 | 29.1 | -13.8 | 0 | 0 | 0 | 112.5 | |||||
| 4 | W | 30 | Very low | 34.6 | Very low | 189 Ų | 189 | 176.6 Ų | 176.6 | 72% | 0.716 | 85% | 0.85 | S | S | * | * | trans | -74.6 | 147 | 171.8 | -65.1 | 16.6 | 0 | 0 | 0 | 110.4 | ||||
| 5 | K | 39.2 | Very low | 34.1 | Very low | 208 Ų | 208 | 173.3 Ų | 173.3 | 90% | 0.904 | 84% | 0.838 | S | S | * | * | trans | -136.8 | 122.5 | 144.9 | -97.2 | -166.2 | 178 | -177 | 0 | 110.6 | ||||
| 6 | K | 39.6 | Very low | 33.9 | Very low | 166 Ų | 166 | 173 Ų | 173 | 72% | 0.722 | 83% | 0.832 | S | S | * | * | trans | -73.7 | 144.8 | 170.2 | -63 | 170.6 | 174.3 | 177.2 | 0 | 109.1 | ||||
| 7 | N | 33.2 | Very low | 33.9 | Very low | 160 Ų | 160 | 173.6 Ų | 173.6 | 86% | 0.856 | 83% | 0.834 | S | S | * | * | trans | -154.4 | 99.3 | 145.1 | -91.6 | -17.8 | 0 | 0 | 0 | 106.4 | ||||
| 8 | K | 33 | Very low | 33.6 | Very low | 188 Ų | 188 | 170.6 Ų | 170.6 | 82% | 0.817 | 83% | 0.833 | S | S | * | * | 71.6 | 102.6 | 91.2 | -129 | -177.3 | -171.8 | -173.7 | 0 | 111.3 | |||||
| 9 | F | 28.2 | Very low | 33.4 | Very low | 206 Ų | 206 | 172.5 Ų | 172.5 | 90% | 0.904 | 84% | 0.837 | S | S | * | * | trans | -63.9 | 131 | 167.3 | -76.4 | -100.9 | 0 | 0 | 0 | 108.9 | ||||
| 10 | D | 30.4 | Very low | 33.3 | Very low | 154 Ų | 154 | 174.1 Ų | 174.1 | 82% | 0.824 | 84% | 0.843 | S | S | * | * | trans | -122 | 131.1 | 155.5 | -88.2 | -36.2 | 0 | 0 | 0 | 108.4 | ||||
| 11 | L | 31.4 | Very low | 33.3 | Very low | 176 Ų | 176 | 175.8 Ų | 175.8 | 92% | 0.921 | 85% | 0.846 | S | S | * | * | trans | -90.8 | 117 | -177 | -166.3 | 84.3 | 0 | 0 | 0 | 107.3 | ||||
| 12 | I | 34.1 | Very low | 33.1 | Very low | 163 Ų | 163 | 167.9 Ų | 167.9 | 84% | 0.836 | 83% | 0.825 | S | S | * | * | trans | -135.5 | 131.9 | 165.4 | -62.5 | 178.1 | 0 | 0 | 0 | 108.4 | ||||
| 13 | E | 30.3 | Very low | 32.8 | Very low | 177 Ų | 177 | 172.4 Ų | 172.4 | 83% | 0.827 | 83% | 0.834 | S | S | * | * | trans | -63.8 | 152.8 | -178.2 | -81.1 | 170.5 | 135.7 | 0 | 0 | 114.8 | ||||
| 14 | E | 32.2 | Very low | 32.2 | Very low | 180 Ų | 180 | 171 Ų | 171 | 84% | 0.841 | 83% | 0.832 | S | S | * | * | trans | 29.4 | 119.8 | 154 | -57.1 | -148.1 | 140.3 | 0 | 0 | 120.5 | ||||
| 15 | D | 27.7 | Very low | 32.6 | Very low | 127 Ų | 127 | 168.1 Ų | 168.1 | 68% | 0.679 | 84% | 0.835 | S | S | * | * | -160 | 136.8 | 108.1 | -123.6 | -23.5 | 0 | 0 | 0 | 113.8 | |||||
| 16 | K | 31.1 | Very low | 32.6 | Very low | 169 Ų | 169 | 163.2 Ų | 163.2 | 74% | 0.735 | 83% | 0.827 | S | S | * | * | trans | 28.9 | 135.1 | 149.3 | -74.5 | 162.9 | -165 | 148.8 | 0 | 123.8 | ||||
| 17 | Q | 33.1 | Very low | 32.7 | Very low | 184 Ų | 184 | 162.8 Ų | 162.8 | 86% | 0.86 | 83% | 0.832 | S | S | * | * | trans | 76 | 106.7 | 147 | -70.2 | 176.7 | 6.6 | 0 | 0 | 119.1 | ||||
| 18 | S | 28.3 | Very low | 33.1 | Very low | 119 Ų | 119 | 161.8 Ų | 161.8 | 83% | 0.832 | 83% | 0.827 | S | S | * | * | trans | -166.8 | 116.4 | 132.8 | 43.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 19 | K | 30.3 | Very low | 33.6 | Very low | 207 Ų | 207 | 162.2 Ų | 162.2 | 90% | 0.9 | 83% | 0.825 | S | S | * | * | trans | 34.3 | 104.6 | 138.6 | -62.9 | 177.7 | -179.9 | 175.6 | 0 | 119.1 | K21 | K19-K21 PolarHBondContact O-N 2.83Š| ||
| 20 | Q | 31.2 | Very low | 34.8 | Very low | 203 Ų | 203 | 156.9 Ų | 156.9 | 95% | 0.949 | 81% | 0.813 | S | S | * | * | trans | -68.5 | 120.9 | 157.8 | -72.3 | 179.9 | -32.9 | 0 | 0 | 110.8 | ||||
| 21 | K | 34.1 | Very low | 35.5 | Very low | 211 Ų | 211 | 153 Ų | 153 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | trans | -88.3 | 99 | 159.1 | -94.3 | -179.7 | 174.1 | 177.4 | 0 | 108.2 | K19 | K19-K21 PolarHBondContact O-N 2.83Š| ||
| 22 | G | 31.9 | Very low | 36.4 | Very low | 69 Ų | 69 | 150.8 Ų | 150.8 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | -90.1 | 126.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | A24 | G22-A24 PolarHBondContact O-N 3.13Å; G22-A24 VanDerWaalsContact O-N 3.17Å | ||
| 23 | Y | 34.7 | Very low | 37.2 | Very low | 239 Ų | 239 | 146.7 Ų | 146.7 | 94% | 0.937 | 77% | 0.773 | S | S | * | * | trans | -68.4 | 104.1 | 163.3 | -79.6 | -94.9 | 0 | 0 | 0 | 108.2 | ||||
| 24 | A | 33.2 | Very low | 37.9 | Very low | 95 Ų | 95 | 143.1 Ų | 143.1 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | -84.9 | 118.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | G22 S26 | G22-A24 PolarHBondContact O-N 3.13Å; G22-A24 VanDerWaalsContact O-N 3.17Å; A24-S26 PolarHBondContact O-N 3.08Å | ||
| 25 | V | 36.9 | Very low | 38.7 | Very low | 129 Ų | 129 | 142.5 Ų | 142.5 | 78% | 0.782 | 76% | 0.763 | S | S | * | * | trans | -72.3 | 108.1 | 162.6 | 170.3 | 0 | 0 | 0 | 0 | 106.8 | L27 | V25-L27 HydrophobicContact CG1-CG 4.47Å; V25-L27 PolarHBondContact O-N 3.31Å | ||
| 26 | S | 40.6 | Very low | 39.6 | Very low | 105 Ų | 105 | 140.1 Ų | 140.1 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | -72.8 | 102.7 | 173.6 | 57.7 | 0 | 0 | 0 | 0 | 109.5 | A24 | A24-S26 PolarHBondContact O-N 3.08Š| ||
| 27 | L | 40 | Very low | 40.5 | Very low | 157 Ų | 157 | 141.5 Ų | 141.5 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | trans | -80.7 | 124.7 | 166.3 | -74.1 | 169.8 | 0 | 0 | 0 | 109 | V25 Y29 | V25-L27 HydrophobicContact CG1-CG 4.47Å; V25-L27 PolarHBondContact O-N 3.31Å; L27-Y29 PolarHBondContact O-N 3.45Å | ||
| 28 | N | 41.8 | Very low | 41.2 | Very low | 140 Ų | 140 | 137.4 Ų | 137.4 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | trans | -61.6 | 125.9 | -177.1 | -79.2 | -41.3 | 0 | 0 | 0 | 112 | S30 | N28-S30 PolarHBondContact O-N 3.43Š| ||
| 29 | Y | 44.7 | Very low | 42.1 | Very low | 197 Ų | 197 | 135.7 Ų | 135.7 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 4 | -172.8 | -156.3 | -100.2 | 0 | 0 | 0 | 114.5 | L27 T33 | L27-Y29 PolarHBondContact O-N 3.45Å; Y29-T33 HydrophobicContact CE1-CG2 4.44Å |
| 30 | S | 52 | Low | 43 | Very low | 94 Ų | 94 | 130.3 Ų | 130.3 | 66% | 0.657 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -17.1 | -169.5 | 56.3 | 0 | 0 | 0 | 0 | 115.3 | N28 T33 | N28-S30 PolarHBondContact O-N 3.43Å; S30-T33 PolarHBondContact O-OG1 3.1Å |
| 31 | A | 46.7 | Very low | 43.9 | Very low | 71 Ų | 71 | 129.4 Ų | 129.4 | 59% | 0.587 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -86.9 | -20.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 32 | L | 49.7 | Very low | 44.7 | Very low | 131 Ų | 131 | 124.1 Ų | 124.1 | 69% | 0.686 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -89.1 | -16 | -177.2 | -65.8 | 177.5 | 0 | 0 | 0 | 113.4 | ||
| 33 | T | 49.9 | Very low | 45.5 | Very low | 76 Ų | 76 | 122.7 Ų | 122.7 | 47% | 0.466 | 70% | 0.698 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.2 | -20.3 | -179.2 | 36.9 | 0 | 0 | 0 | 0 | 113.6 | Y29 S30 | Y29-T33 HydrophobicContact CE1-CG2 4.44Å; S30-T33 PolarHBondContact O-OG1 3.1Å |
| 34 | S | 46.7 | Very low | 46.3 | Very low | 103 Ų | 103 | 117.7 Ų | 117.7 | 72% | 0.72 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -26.1 | 177.3 | -122 | 0 | 0 | 0 | 0 | 113.7 | ||
| 35 | F | 47.2 | Very low | 47.2 | Very low | 167 Ų | 167 | 120.3 Ų | 120.3 | 73% | 0.732 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -18.1 | 176.1 | -79 | -79.4 | 0 | 0 | 0 | 113.6 | K37 | F35-K37 VanDerWaalsContact C-N 3.33Å; F35-K37 PolarHBondContact O-N 3.36Å |
| 36 | A | 47.9 | Very low | 47.9 | Very low | 76 Ų | 76 | 124.4 Ų | 124.4 | 63% | 0.628 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -6.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 37 | K | 49.2 | Very low | 48.5 | Very low | 198 Ų | 198 | 123.2 Ų | 123.2 | 86% | 0.861 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -1.5 | -179.6 | -80.6 | -165.4 | 175.6 | -176.4 | 0 | 115.2 | F35 | F35-K37 VanDerWaalsContact C-N 3.33Å; F35-K37 PolarHBondContact O-N 3.36Å |
| 38 | S | 48.5 | Very low | 49 | Very low | 98 Ų | 98 | 118.4 Ų | 118.4 | 69% | 0.685 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -122.7 | 15.1 | -174.5 | 63.7 | 0 | 0 | 0 | 0 | 115.7 | ||
| 39 | C | 47.5 | Very low | 49.6 | Very low | 84 Ų | 84 | 116.1 Ų | 116.1 | 57% | 0.568 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -126.9 | 124.8 | -178 | -142.1 | 0 | 0 | 0 | 0 | 112.4 | ||
| 40 | P | 48.8 | Very low | 50.1 | Low | 94 Ų | 94 | 114.2 Ų | 114.2 | 61% | 0.61 | 66% | 0.661 | S | S | * | * | trans | -66.6 | 147.2 | 176.8 | 27.6 | -32.1 | 0 | 0 | 0 | 111 | S42 A43 | P40-S42 PolarHBondContact O-N 3.16Å; P40-A43 PolarHBondContact O-N 3.03Å | ||
| 41 | E | 49.6 | Very low | 50.2 | Low | 184 Ų | 184 | 117 Ų | 117 | 86% | 0.86 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -2.9 | -167.8 | -156.1 | 162.9 | 164.9 | 0 | 0 | 115.9 | ||
| 42 | S | 51.2 | Low | 50.5 | Low | 100 Ų | 100 | 122.1 Ų | 122.1 | 70% | 0.699 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -8.7 | -179 | 54.7 | 0 | 0 | 0 | 0 | 114.8 | P40 | P40-S42 PolarHBondContact O-N 3.16Š|
| 43 | A | 49 | Very low | 50.9 | Low | 39 Ų | 39 | 121.3 Ų | 121.3 | 32% | 0.322 | 67% | 0.671 | S | S | . | * | S | Bend | trans | -86.7 | -23.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | P40 N45 R46 | P40-A43 PolarHBondContact O-N 3.03Å; A43-N45 PolarHBondContact O-N 2.81Å; A43-R46 PolarHBondContact O-N 3.23Å |
| 44 | L | 52.2 | Low | 51.3 | Low | 134 Ų | 134 | 126.3 Ų | 126.3 | 70% | 0.702 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -71.2 | -27.9 | -173.2 | -70.3 | 177.7 | 0 | 0 | 0 | 113.7 | R46 V47 | L44-R46 VanDerWaalsContact C-N 3.26Å; L44-R46 PolarHBondContact O-N 3.45Å; L44-V47 PolarHBondContact O-N 2.86Å |
| 45 | N | 51.5 | Low | 51.7 | Low | 149 Ų | 149 | 133 Ų | 133 | 80% | 0.797 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -73.5 | -17.1 | 177.8 | -70 | -24.5 | 0 | 0 | 0 | 113.3 | A43 | A43-N45 PolarHBondContact O-N 2.81Å |
| 46 | R | 52.3 | Low | 52.4 | Low | 216 Ų | 216 | 133.4 Ų | 133.4 | 82% | 0.815 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -88.4 | -22.2 | 177.9 | -166.3 | 175.3 | -83.7 | -155.6 | -2.7 | 112.9 | A43 L44 | A43-R46 PolarHBondContact O-N 3.23Å; L44-R46 VanDerWaalsContact C-N 3.26Å; L44-R46 PolarHBondContact O-N 3.45Å |
| 47 | V | 52.9 | Low | 52.8 | Low | 79 Ų | 79 | 139.1 Ų | 139.1 | 48% | 0.479 | 71% | 0.708 | S | S | . | * | H | α-helix | trans | -90.8 | -23.6 | -178 | -172 | 0 | 0 | 0 | 0 | 112.5 | L44 S49 M50 F51 | L44-V47 PolarHBondContact O-N 2.86Å; V47-S49 PolarHBondContact O-N 2.7Å; V47-S49 VanDerWaalsContact O-N 3.11Å; V47-M50 PolarHBondContact O-N 3.04Å; V47-F51 HydrophobicContact CG1-CE2 4.27Å |
| 48 | G | 50.7 | Low | 53.3 | Low | 57 Ų | 57 | 134.5 Ų | 134.5 | 59% | 0.588 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -15.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 49 | S | 54.6 | Low | 53.5 | Low | 91 Ų | 91 | 138.9 Ų | 138.9 | 64% | 0.636 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -12.9 | 178.5 | -167.6 | 0 | 0 | 0 | 0 | 114.2 | V47 F51 | V47-S49 PolarHBondContact O-N 2.7Å; V47-S49 VanDerWaalsContact O-N 3.11Å; S49-F51 VanDerWaalsContact C-N 3.32Å; S49-F51 PolarHBondContact O-N 3.25Å |
| 50 | M | 53.6 | Low | 54.1 | Low | 157 Ų | 157 | 141.4 Ų | 141.4 | 77% | 0.773 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -10.6 | -175.9 | -59.4 | -145.7 | 83.2 | 0 | 0 | 113.6 | V47 | V47-M50 PolarHBondContact O-N 3.04Š|
| 51 | F | 54.6 | Low | 54.3 | Low | 154 Ų | 154 | 143 Ų | 143 | 68% | 0.675 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.2 | 21.3 | -175.6 | -62.6 | -79.4 | 0 | 0 | 0 | 114.4 | V47 S49 T53 | V47-F51 HydrophobicContact CG1-CE2 4.27Å; S49-F51 VanDerWaalsContact C-N 3.32Å; S49-F51 PolarHBondContact O-N 3.25Å; F51-T53 PolarHBondContact O-N 3.44Å |
| 52 | K | 53.2 | Low | 54.9 | Low | 177 Ų | 177 | 139.4 Ų | 139.4 | 77% | 0.77 | 71% | 0.712 | S | S | * | * | trans | -73.1 | 69.5 | 161.2 | -66.3 | -158.8 | -178.1 | -177 | 0 | 108.9 | K54 | K52-K54 PolarHBondContact O-N 3.29Š| ||
| 53 | T | 57.7 | Low | 55.9 | Low | 114 Ų | 114 | 142.6 Ų | 142.6 | 70% | 0.699 | 72% | 0.716 | S | S | * | * | trans | -61.3 | 90.8 | 167.3 | 41 | 0 | 0 | 0 | 0 | 107.1 | F51 R55 | F51-T53 PolarHBondContact O-N 3.44Å; T53-R55 VanDerWaalsContact C-N 3.31Å; T53-R55 PolarHBondContact O-N 2.97Å | ||
| 54 | K | 58.7 | Low | 57.5 | Low | 181 Ų | 181 | 144.5 Ų | 144.5 | 79% | 0.787 | 72% | 0.721 | S | S | * | * | trans | -55.2 | 104.3 | 164.2 | -76 | -171.6 | 176.8 | -177.6 | 0 | 105.4 | K52 K56 | K52-K54 PolarHBondContact O-N 3.29Å; K54-K56 PolarHBondContact O-N 3.42Å | ||
| 55 | R | 55.4 | Low | 59.2 | Low | 245 Ų | 245 | 140.3 Ų | 140.3 | 93% | 0.925 | 70% | 0.702 | S | S | * | * | trans | -61.9 | 84.4 | 174.2 | -70.5 | -177.9 | 178.8 | 176.2 | -0.8 | 107.4 | T53 K57 | T53-R55 VanDerWaalsContact C-N 3.31Å; T53-R55 PolarHBondContact O-N 2.97Å; R55-K57 PolarHBondContact O-N 2.84Å | ||
| 56 | K | 62 | Low | 61.1 | Low | 175 Ų | 175 | 136.6 Ų | 136.6 | 76% | 0.761 | 68% | 0.684 | S | S | * | * | trans | -74.1 | 116.9 | 171.8 | -77 | -175.9 | 177 | -179.5 | 0 | 106.3 | K54 V58 | K54-K56 PolarHBondContact O-N 3.42Å; K56-V58 VanDerWaalsContact C-N 3.29Å; K56-V58 PolarHBondContact O-N 3.27Å | ||
| 57 | K | 56.6 | Low | 63 | Low | 196 Ų | 196 | 127.7 Ų | 127.7 | 85% | 0.852 | 65% | 0.651 | S | S | * | * | trans | -68.4 | 90.7 | 171 | -172.9 | 175.7 | -177.7 | 176.7 | 0 | 107.5 | R55 K59 | R55-K57 PolarHBondContact O-N 2.84Å; K57-K59 PolarHBondContact O-N 2.88Å | ||
| 58 | V | 59.5 | Low | 65 | Low | 101 Ų | 101 | 128.2 Ų | 128.2 | 61% | 0.612 | 66% | 0.655 | S | S | * | * | trans | -78.4 | 114.6 | 173.1 | -175.5 | 0 | 0 | 0 | 0 | 106.6 | K56 I60 | K56-V58 VanDerWaalsContact C-N 3.29Å; K56-V58 PolarHBondContact O-N 3.27Å; V58-I60 VanDerWaalsContact C-N 3.28Å; V58-I60 HydrophobicContact CB-CG1 4.03Å; V58-I60 HydrophobicContact CG1-CD1 4.49Å; V58-I60 HydrophobicContact CG1-CG1 3.58Å; V58-I60 PolarHBondContact O-N 3.06Å | ||
| 59 | K | 52.4 | Low | 67.1 | Low | 190 Ų | 190 | 125.8 Ų | 125.8 | 83% | 0.826 | 63% | 0.628 | S | S | * | * | trans | -72.5 | 92.9 | 164.5 | -72.2 | -176.2 | 179.3 | -179.2 | 0 | 106.4 | K57 | K57-K59 PolarHBondContact O-N 2.88Š| ||
| 60 | I | 60.6 | Low | 69 | Low | 137 Ų | 137 | 123 Ų | 123 | 70% | 0.703 | 61% | 0.606 | S | S | * | * | trans | -78 | 126.3 | 177 | -59.4 | 171 | 0 | 0 | 0 | 106.3 | V58 | V58-I60 VanDerWaalsContact C-N 3.28Å; V58-I60 HydrophobicContact CB-CG1 4.03Å; V58-I60 HydrophobicContact CG1-CD1 4.49Å; V58-I60 HydrophobicContact CG1-CG1 3.58Å; V58-I60 PolarHBondContact O-N 3.06Å | ||
| 61 | T | 51.1 | Low | 71 | Confident | 126 Ų | 126 | 117 Ų | 117 | 77% | 0.773 | 58% | 0.575 | S | S | * | * | trans | 79.5 | 78.5 | 177.3 | -31.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 62 | S | 62.5 | Low | 72.9 | Confident | 109 Ų | 109 | 110.6 Ų | 110.6 | 76% | 0.762 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 130.2 | 146.2 | 52.6 | 0 | 0 | 0 | 0 | 107.4 | ||
| 63 | E | 72.6 | Confident | 74.8 | Confident | 168 Ų | 168 | 102.8 Ų | 102.8 | 79% | 0.785 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 144.2 | 170.8 | -174.6 | 176.4 | 178.9 | 0 | 0 | 110.4 | ||
| 64 | D | 82.8 | Confident | 76.5 | Confident | 79 Ų | 79 | 100.2 Ų | 100.2 | 42% | 0.422 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 125.2 | 178.5 | -71.8 | -31.6 | 0 | 0 | 0 | 109.8 | T66 T109 S111 | D64-T66 PolarHBondContact O-N 3.25Å; D64-T66 PolarHBondContact O-OG1 3.43Å; D64-T109 HydrophobicContact CB-CG2 3.5Å; D64-T109 VanDerWaalsContact CB-CG2 3.5Å; D64-S111 VanDerWaalsContact OD2-CB 3.24Å; D64-S111 WeakPolarHBondContact OD2-CB 3.4Å |
| 65 | P | 88.7 | Confident | 78.3 | Confident | 46 Ų | 46 | 92 Ų | 92 | 30% | 0.299 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 127.2 | -173.6 | 26.4 | -34.5 | 0 | 0 | 0 | 110.8 | Y67 I110 L183 | P65-Y67 HydrophobicContact CB-CE2 3.93Å; P65-Y67 HydrophobicContact CG-CE2 4.34Å; P65-I110 PolarHBondContact O-N 2.97Å; P65-L183 HydrophobicContact CB-CD2 4.25Å; P65-L183 HydrophobicContact CG-CD2 3.23Å; P65-L183 HydrophobicContact CG-CG 4.5Å |
| 66 | T | 91 | Very high | 80.1 | Confident | 70 Ų | 70 | 84.5 Ų | 84.5 | 43% | 0.429 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 129.4 | -176.4 | -62.2 | 0 | 0 | 0 | 0 | 110.7 | D64 K107 L108 T109 | D64-T66 PolarHBondContact O-N 3.25Å; D64-T66 PolarHBondContact O-OG1 3.43Å; T66-K107 HydrophobicContact CG2-CB 4.03Å; T66-L108 WeakPolarHBondContact CA-O 3.12Å; T66-T109 WeakPolarHBondContact CG2-OG1 3.32Å; T66-T109 PolarHBondContact OG1-OG1 3.48Å |
| 67 | Y | 92.9 | Very high | 81.5 | Confident | 29 Ų | 29 | 77.4 Ų | 77.4 | 11% | 0.114 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 127.6 | -176.5 | -56.9 | -85.6 | 0 | 0 | 0 | 110.5 | P65 V69 L108 I110 M180 L183 | P65-Y67 HydrophobicContact CB-CE2 3.93Å; P65-Y67 HydrophobicContact CG-CE2 4.34Å; Y67-V69 PolarHBondContact O-N 2.99Å; Y67-L108 PolarHBondContact N-O 3.27Å; Y67-L108 PolarHBondContact O-N 3.05Å; Y67-I110 HydrophobicContact CE2-CD1 4.25Å; Y67-M180 HydrophobicContact CD1-CG 4.16Å; Y67-M180 HydrophobicContact CD1-SD 4.2Å; Y67-M180 HydrophobicContact CD2-CE 4.17Å; Y67-M180 HydrophobicContact CD2-CG 3.77Å; Y67-M180 HydrophobicContact CD2-SD 4.1Å; Y67-M180 HydrophobicContact CE1-CG 4.14Å; Y67-M180 HydrophobicContact CE2-CG 3.74Å; Y67-M180 HydrophobicContact CG-CE 4.29Å; Y67-M180 HydrophobicContact CG-CG 3.98Å; Y67-M180 HydrophobicContact CG-SD 3.86Å; Y67-L183 HydrophobicContact CE2-CD2 4.35Å |
| 68 | T | 93.9 | Very high | 83 | Confident | 91 Ų | 91 | 75.9 Ų | 75.9 | 56% | 0.558 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 118.9 | 168.2 | -52.6 | 0 | 0 | 0 | 0 | 109.2 | V120 | T68-V120 HydrophobicContact CG2-CG2 4.11Å |
| 69 | V | 95 | Very high | 84.3 | Confident | 5 Ų | 5 | 76 Ų | 76 | 3% | 0.03 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 158.7 | -176.4 | -57.7 | 0 | 0 | 0 | 0 | 111.1 | Y67 M106 L108 M117 V169 V171 M180 | Y67-V69 PolarHBondContact O-N 2.99Å; V69-M106 PolarHBondContact N-O 3Å; V69-M106 PolarHBondContact O-N 3.23Å; V69-L108 HydrophobicContact CG1-CB 4.29Å; V69-L108 HydrophobicContact CG2-CB 3.76Å; V69-L108 HydrophobicContact CG2-CD1 4.25Å; V69-M117 HydrophobicContact CG2-CE 3.86Å; V69-V169 HydrophobicContact CB-CB 4.1Å; V69-V169 HydrophobicContact CB-CG2 4.36Å; V69-V169 HydrophobicContact CG1-CG2 4.44Å; V69-V169 HydrophobicContact CG2-CB 4.05Å; V69-V169 HydrophobicContact CG2-CG1 4.04Å; V69-V169 HydrophobicContact CG2-CG2 4.46Å; V69-V171 HydrophobicContact CG1-CG2 4.05Å; V69-M180 HydrophobicContact CG1-CE 4.05Å; V69-M180 HydrophobicContact CG1-SD 4.43Å |
| 70 | L | 94.9 | Very high | 85.7 | Confident | 32 Ų | 32 | 68.9 Ų | 68.9 | 17% | 0.168 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 111.1 | 171.8 | -175.9 | 74.6 | 0 | 0 | 0 | 108.7 | L72 G100 G103 K105 V169 L170 | L70-L72 HydrophobicContact CD2-CD2 4.14Å; L70-L72 HydrophobicContact CG-CD2 4.4Å; L70-L72 PolarHBondContact O-N 3.37Å; L70-G100 WeakPolarHBondContact CD2-O 3.27Å; L70-G103 VanDerWaalsContact CD1-C 3.42Å; L70-G103 WeakPolarHBondContact CD1-O 3.45Å; L70-K105 HydrophobicContact CD1-CG 3.92Å; L70-V169 CarbonylContact O-C 3.59Å; L70-V169 WeakPolarHBondContact O-CA 3.1Å; L70-L170 HydrophobicContact CB-CB 4.2Å; L70-L170 HydrophobicContact CD2-CD2 4.06Å; L70-L170 PolarHBondContact N-O 3.4Å; L70-L170 PolarHBondContact O-N 3.18Å |
| 71 | Y | 95.2 | Very high | 86.9 | Confident | 33 Ų | 33 | 65.1 Ų | 65.1 | 13% | 0.129 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 115.8 | 176.5 | -178.6 | -108.1 | 0 | 0 | 0 | 110.1 | N74 G103 T104 M106 H167 V169 | Y71-N74 PolarHBondContact OH-OD1 3.37Å; Y71-G103 CarbonylContact O-C 3.56Å; Y71-G103 WeakPolarHBondContact O-CA 3.37Å; Y71-T104 PolarHBondContact N-O 2.85Å; Y71-T104 PolarHBondContact O-N 3.33Å; Y71-M106 HydrophobicContact CD1-CE 4.13Å; Y71-M106 HydrophobicContact CD1-SD 4.43Å; Y71-M106 HydrophobicContact CG-CE 4.34Å; Y71-M106 HydrophobicContact CG-SD 4.04Å; Y71-H167 HydrophobicContact CE2-CB 4.4Å; Y71-H167 AromaticContact CE2-ND1 3.97Å; Y71-H167 AromaticContact CZ-ND1 3.99Å; Y71-H167 PolarHBondContact OH-ND1 2.89Å; Y71-H167 VanDerWaalsContact OH-ND1 3.1Å; Y71-V169 HydrophobicContact CD2-CG1 3.89Å |
| 72 | L | 94.5 | Very high | 88.4 | Confident | 18 Ų | 18 | 60.7 Ų | 60.7 | 9% | 0.094 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | -27.5 | -177.2 | -59.2 | -178.7 | 0 | 0 | 0 | 112.2 | L70 I93 W94 I148 A168 L170 | L70-L72 HydrophobicContact CD2-CD2 4.14Å; L70-L72 HydrophobicContact CG-CD2 4.4Å; L70-L72 PolarHBondContact O-N 3.37Å; L72-I93 HydrophobicContact CB-CG2 3.58Å; L72-W94 HydrophobicContact CD1-CE3 3.83Å; L72-W94 HydrophobicContact CD1-CZ3 4.04Å; L72-I148 HydrophobicContact CD1-CD1 4.23Å; L72-A168 PolarHBondContact N-O 3.37Å; L72-A168 VanDerWaalsContact N-O 3.14Å; L72-L170 HydrophobicContact CD1-CB 4.15Å; L72-L170 HydrophobicContact CD2-CB 4.03Å; L72-L170 HydrophobicContact CG-CB 4.12Å |
| 73 | G | 93.1 | Very high | 89.5 | Confident | 13 Ų | 13 | 64.7 Ų | 64.7 | 13% | 0.134 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 132.8 | -160.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | A168 | G73-A168 PolarHBondContact O-N 3.12Å |
| 74 | N | 94.1 | Very high | 90 | Very high | 60 Ų | 60 | 57.8 Ų | 57.8 | 32% | 0.321 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 150.2 | -175.1 | 59.5 | -78.2 | 0 | 0 | 0 | 112.1 | Y71 R165 C166 | Y71-N74 PolarHBondContact OH-OD1 3.37Å; N74-R165 HydrophobicContact CB-CG 3.75Å; N74-R165 WeakPolarHBondContact ND2-CD 3.38Å; N74-R165 VanDerWaalsContact ND2-CZ 3.3Å; N74-R165 PolarHBondContact ND2-NE 2.84Å; N74-R165 VanDerWaalsContact ND2-NE 3.17Å; N74-R165 PolarHBondContact ND2-NH1 2.55Å; N74-C166 CarbonylContact C-O 3.17Å; N74-C166 WeakPolarHBondContact CA-O 3.43Å; N74-C166 WeakPolarHBondContact CB-O 3.29Å |
| 75 | A | 95.3 | Very high | 90.3 | Very high | 9 Ų | 9 | 54.3 Ų | 54.3 | 7% | 0.074 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 148.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | A89 I93 R165 C166 | A75-A89 HydrophobicContact CB-CB 4.19Å; A75-I93 HydrophobicContact CB-CD1 3.94Å; A75-I93 HydrophobicContact CB-CG1 3.71Å; A75-R165 CarbonylContact O-C 3.54Å; A75-R165 WeakPolarHBondContact O-CA 3.2Å; A75-C166 PolarHBondContact N-O 3.42Å; A75-C166 PolarHBondContact O-N 2.89Å |
| 76 | T | 93.6 | Very high | 90.5 | Very high | 88 Ų | 88 | 52.2 Ų | 52.2 | 54% | 0.54 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 141.5 | 173.5 | 49.2 | 0 | 0 | 0 | 0 | 109.9 | M163 | T76-M163 HydrophobicContact CG2-CE 4.48Å; T76-M163 HydrophobicContact CG2-CG 4.24Å; T76-M163 HydrophobicContact CG2-SD 3.64Å |
| 77 | T | 92.1 | Very high | 90.5 | Very high | 25 Ų | 25 | 50.8 Ų | 50.8 | 15% | 0.153 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 156.1 | 174.6 | -172 | 0 | 0 | 0 | 0 | 109.8 | Q79 C85 I152 L164 | T77-Q79 WeakPolarHBondContact CG2-O 3.43Å; T77-C85 PolarHBondContact OG1-O 2.82Å; T77-I152 HydrophobicContact CG2-CD1 4.06Å; T77-I152 HydrophobicContact CG2-CG1 4.31Å; T77-I152 HydrophobicContact CG2-CG2 3.92Å; T77-L164 HydrophobicContact CG2-CB 3.72Å; T77-L164 PolarHBondContact N-O 3.4Å; T77-L164 WeakPolarHBondContact O-CB 3.39Å |
| 78 | I | 87.6 | Confident | 90.5 | Very high | 165 Ų | 165 | 53.9 Ų | 53.9 | 85% | 0.846 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -96.1 | -33.3 | -179.4 | -58.8 | 170.2 | 0 | 0 | 0 | 110.1 | ||
| 79 | Q | 86.4 | Confident | 90.5 | Very high | 102 Ų | 102 | 49.7 Ų | 49.7 | 48% | 0.477 | 28% | 0.279 | S | S | . | . | trans | -92.1 | 136.5 | -177.4 | -65.6 | -176.1 | 26.1 | 0 | 0 | 110.6 | T77 C85 | T77-Q79 WeakPolarHBondContact CG2-O 3.43Å; Q79-C85 HydrophobicContact CB-CB 3.62Å | ||
| 80 | S | 82.6 | Confident | 90.5 | Very high | 41 Ų | 41 | 49.5 Ų | 49.5 | 29% | 0.287 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -92.4 | -26.9 | 177.6 | 56.5 | 0 | 0 | 0 | 0 | 113.3 | T137 Y138 | S80-T137 WeakPolarHBondContact O-CB 3.32Å; S80-T137 PolarHBondContact O-OG1 3.45Å; S80-Y138 WeakPolarHBondContact O-CB 3.46Å |
| 81 | K | 85.4 | Confident | 90.4 | Very high | 59 Ų | 59 | 50.9 Ų | 50.9 | 26% | 0.257 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -152.2 | 159.3 | -176.8 | -56.7 | -172.1 | -178.5 | -179.9 | 0 | 108.6 | D290 E293 S295 | K81-D290 PolarHBondContact NZ-O 3.2Å; K81-E293 PolarHBondContact NZ-O 2.89Å; K81-S295 WeakPolarHBondContact CB-OG 3.26Å; K81-S295 WeakPolarHBondContact CD-OG 3.41Å; K81-S295 WeakPolarHBondContact CG-OG 3.46Å |
| 82 | G | 83.4 | Confident | 90.4 | Very high | 33 Ų | 33 | 55 Ų | 55 | 34% | 0.34 | 31% | 0.309 | S | S | . | . | S | Bend | trans | 123.5 | 158.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | G84 C85 Y138 | G82-G84 PolarHBondContact O-N 3.34Å; G82-C85 WeakPolarHBondContact O-CB 3.46Å; G82-C85 PolarHBondContact O-N 3.36Å; G82-C85 PolarHBondContact O-SG 3.28Å; G82-Y138 PolarHBondContact O-OH 2.89Å |
| 83 | E | 83.7 | Confident | 90.4 | Very high | 192 Ų | 192 | 54.3 Ų | 54.3 | 90% | 0.897 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 131.4 | 176.5 | -171 | 173.2 | -177.8 | 0 | 0 | 110.1 | C85 | E83-C85 VanDerWaalsContact C-N 3.26Å; E83-C85 PolarHBondContact O-N 2.87Å |
| 84 | G | 85.1 | Confident | 90.5 | Very high | 24 Ų | 24 | 56.1 Ų | 56.1 | 25% | 0.247 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 4.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | G82 T86 D87 | G82-G84 PolarHBondContact O-N 3.34Å; G84-T86 PolarHBondContact O-N 3.44Å; G84-T86 VanDerWaalsContact O-N 3.08Å; G84-D87 WeakPolarHBondContact CA-OD2 3.36Å; G84-D87 WeakPolarHBondContact O-CB 3.37Å; G84-D87 PolarHBondContact O-N 3.15Å |
| 85 | C | 88.4 | Confident | 90.5 | Very high | 5 Ų | 5 | 55.4 Ų | 55.4 | 3% | 0.034 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -25.7 | 179.7 | 65.6 | 0 | 0 | 0 | 0 | 114 | T77 Q79 G82 E83 Y138 I152 | T77-C85 PolarHBondContact OG1-O 2.82Å; Q79-C85 HydrophobicContact CB-CB 3.62Å; G82-C85 WeakPolarHBondContact O-CB 3.46Å; G82-C85 PolarHBondContact O-N 3.36Å; G82-C85 PolarHBondContact O-SG 3.28Å; E83-C85 VanDerWaalsContact C-N 3.26Å; E83-C85 PolarHBondContact O-N 2.87Å; C85-Y138 WeakPolarHBondContact SG-CD1 3.47Å; C85-Y138 WeakPolarHBondContact SG-CE1 3.28Å; C85-I152 HydrophobicContact CB-CD1 4.42Å |
| 86 | T | 91.9 | Very high | 90.4 | Very high | 3 Ų | 3 | 62.7 Ų | 62.7 | 2% | 0.018 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -16 | 179.7 | 44.6 | 0 | 0 | 0 | 0 | 113.9 | G84 V88 A89 V90 Y138 V140 I152 | G84-T86 PolarHBondContact O-N 3.44Å; G84-T86 VanDerWaalsContact O-N 3.08Å; T86-V88 PolarHBondContact O-N 3.4Å; T86-A89 PolarHBondContact O-N 3.29Å; T86-A89 VanDerWaalsContact O-N 3.1Å; T86-V90 WeakPolarHBondContact O-CB 3.47Å; T86-V90 WeakPolarHBondContact O-CG2 3.38Å; T86-V90 PolarHBondContact O-N 3.06Å; T86-Y138 HydrophobicContact CG2-CD1 3.57Å; T86-Y138 HydrophobicContact CG2-CE1 3.55Å; T86-V140 HydrophobicContact CG2-CG1 3.9Å; T86-V140 WeakPolarHBondContact OG1-CG1 3.4Å; T86-I152 HydrophobicContact CG2-CD1 3.79Å; T86-I152 HydrophobicContact CG2-CG1 3.82Å |
| 87 | D | 91.9 | Very high | 90.2 | Very high | 39 Ų | 39 | 58.6 Ų | 58.6 | 21% | 0.209 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.9 | -47.3 | -163.8 | -62.5 | -13.3 | 0 | 0 | 0 | 113.1 | G84 A89 S91 R144 | G84-D87 WeakPolarHBondContact CA-OD2 3.36Å; G84-D87 WeakPolarHBondContact O-CB 3.37Å; G84-D87 PolarHBondContact O-N 3.15Å; D87-A89 VanDerWaalsContact C-N 3.29Å; D87-A89 PolarHBondContact O-N 2.73Å; D87-S91 VanDerWaalsContact O-CB 3.28Å; D87-S91 WeakPolarHBondContact O-CB 3.49Å; D87-S91 PolarHBondContact O-N 2.86Å; D87-S91 PolarHBondContact O-OG 3.41Å; D87-R144 VanDerWaalsContact CB-NH2 3.34Å; D87-R144 IonicContact OD1-NH2 2.68Å; D87-R144 PolarHBondContact OD1-NH2 2.7Å; D87-R144 IonicContact OD2-CZ 3.6Å; D87-R144 IonicContact OD2-NH2 3.76Å; D87-R144 PolarHBondContact OD2-NH2 3.19Å |
| 88 | V | 93 | Very high | 90.1 | Very high | 95 Ų | 95 | 62.7 Ų | 62.7 | 58% | 0.576 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65.5 | -38.3 | 178.4 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | T86 K92 | T86-V88 PolarHBondContact O-N 3.4Å; V88-K92 HydrophobicContact CG1-CD 4.33Å; V88-K92 WeakPolarHBondContact O-CB 3.29Å; V88-K92 VanDerWaalsContact O-CG 3.25Å; V88-K92 WeakPolarHBondContact O-CG 3.22Å; V88-K92 PolarHBondContact O-N 3.23Å; V88-K92 VanDerWaalsContact O-N 3.12Å |
| 89 | A | 93.6 | Very high | 90 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 3% | 0.025 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -71.5 | -45.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A75 T86 D87 K92 I93 C166 | A75-A89 HydrophobicContact CB-CB 4.19Å; T86-A89 PolarHBondContact O-N 3.29Å; T86-A89 VanDerWaalsContact O-N 3.1Å; D87-A89 VanDerWaalsContact C-N 3.29Å; D87-A89 PolarHBondContact O-N 2.73Å; A89-K92 PolarHBondContact O-N 2.96Å; A89-I93 VanDerWaalsContact O-CG1 3.26Å; A89-I93 WeakPolarHBondContact O-CG1 3.3Å; A89-I93 PolarHBondContact O-N 2.91Å; A89-C166 HydrophobicContact CB-CB 3.54Å |
| 90 | V | 94.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.006 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 176.1 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | T86 K92 I93 W94 L145 I148 A150 | T86-V90 WeakPolarHBondContact O-CB 3.47Å; T86-V90 WeakPolarHBondContact O-CG2 3.38Å; T86-V90 PolarHBondContact O-N 3.06Å; V90-K92 VanDerWaalsContact C-N 3.32Å; V90-K92 PolarHBondContact O-N 2.81Å; V90-I93 PolarHBondContact O-N 3.3Å; V90-I93 VanDerWaalsContact O-N 3.16Å; V90-W94 VanDerWaalsContact O-CB 3.26Å; V90-W94 WeakPolarHBondContact O-CB 3.24Å; V90-W94 PolarHBondContact O-N 2.94Å; V90-L145 HydrophobicContact CG1-CD1 4.38Å; V90-I148 HydrophobicContact CG1-CD1 4.09Å; V90-I148 HydrophobicContact CG1-CG2 4.11Å; V90-A150 HydrophobicContact CG2-CB 3.76Å |
| 91 | S | 93.8 | Very high | 89.9 | Confident | 61 Ų | 61 | 61.7 Ų | 61.7 | 43% | 0.427 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.5 | -41.7 | 176.6 | -59.5 | 0 | 0 | 0 | 0 | 112.1 | D87 W94 G95 | D87-S91 VanDerWaalsContact O-CB 3.28Å; D87-S91 WeakPolarHBondContact O-CB 3.49Å; D87-S91 PolarHBondContact O-N 2.86Å; D87-S91 PolarHBondContact O-OG 3.41Å; S91-W94 PolarHBondContact O-N 3.19Å; S91-G95 PolarHBondContact O-N 3.33Å |
| 92 | K | 94.6 | Very high | 90 | Very high | 119 Ų | 119 | 62.8 Ų | 62.8 | 52% | 0.517 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 174.7 | -75.3 | 171.8 | -177.8 | 178.1 | 0 | 112.2 | V88 A89 V90 K96 | V88-K92 HydrophobicContact CG1-CD 4.33Å; V88-K92 WeakPolarHBondContact O-CB 3.29Å; V88-K92 VanDerWaalsContact O-CG 3.25Å; V88-K92 WeakPolarHBondContact O-CG 3.22Å; V88-K92 PolarHBondContact O-N 3.23Å; V88-K92 VanDerWaalsContact O-N 3.12Å; A89-K92 PolarHBondContact O-N 2.96Å; V90-K92 VanDerWaalsContact C-N 3.32Å; V90-K92 PolarHBondContact O-N 2.81Å; K92-K96 WeakPolarHBondContact O-CB 3.49Å; K92-K96 VanDerWaalsContact O-CG 3.27Å; K92-K96 WeakPolarHBondContact O-CG 3.4Å; K92-K96 PolarHBondContact O-N 3.29Å; K92-K96 VanDerWaalsContact O-N 3.08Å |
| 93 | I | 94.7 | Very high | 90.1 | Very high | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.9 | -43.3 | 178 | -64.6 | 162 | 0 | 0 | 0 | 109.9 | L72 A75 A89 V90 G95 K96 S97 A168 | L72-I93 HydrophobicContact CB-CG2 3.58Å; A75-I93 HydrophobicContact CB-CD1 3.94Å; A75-I93 HydrophobicContact CB-CG1 3.71Å; A89-I93 VanDerWaalsContact O-CG1 3.26Å; A89-I93 WeakPolarHBondContact O-CG1 3.3Å; A89-I93 PolarHBondContact O-N 2.91Å; V90-I93 PolarHBondContact O-N 3.3Å; V90-I93 VanDerWaalsContact O-N 3.16Å; I93-G95 PolarHBondContact O-N 3.14Å; I93-K96 PolarHBondContact O-N 2.94Å; I93-S97 WeakPolarHBondContact O-CB 3.43Å; I93-S97 PolarHBondContact O-N 2.71Å; I93-S97 PolarHBondContact O-OG 3.48Å; I93-A168 HydrophobicContact CD1-CB 3.9Å; I93-A168 HydrophobicContact CG2-CB 4.11Å |
| 94 | W | 94.8 | Very high | 90.5 | Very high | 51 Ų | 51 | 56.8 Ų | 56.8 | 19% | 0.193 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.6 | -47.3 | 179 | -172.3 | -120.1 | 0 | 0 | 0 | 111.8 | L72 V90 S91 K96 S97 M99 L145 I148 L170 | L72-W94 HydrophobicContact CD1-CE3 3.83Å; L72-W94 HydrophobicContact CD1-CZ3 4.04Å; V90-W94 VanDerWaalsContact O-CB 3.26Å; V90-W94 WeakPolarHBondContact O-CB 3.24Å; V90-W94 PolarHBondContact O-N 2.94Å; S91-W94 PolarHBondContact O-N 3.19Å; W94-K96 PolarHBondContact O-N 3.05Å; W94-S97 WeakPolarHBondContact CA-OG 3.17Å; W94-S97 PolarHBondContact O-N 3.1Å; W94-S97 PolarHBondContact O-OG 3.21Å; W94-M99 HydrophobicContact CD2-CE 4.3Å; W94-M99 HydrophobicContact CG-CE 3.8Å; W94-M99 HydrophobicContact CH2-CB 4.43Å; W94-M99 WeakPolarHBondContact CH2-O 3.37Å; W94-M99 VanDerWaalsContact CZ2-C 3.47Å; W94-M99 HydrophobicContact CZ2-CB 3.78Å; W94-M99 WeakPolarHBondContact CZ2-O 3.4Å; W94-M99 HydrophobicContact CZ2-SD 4.46Å; W94-M99 VanDerWaalsContact NE1-CE 3.33Å; W94-M99 PolarHBondContact NE1-SD 2.89Å; W94-M99 WeakPolarHBondContact O-CE 3.21Å; W94-M99 PolarHBondContact O-N 3.44Å; W94-L145 HydrophobicContact CB-CD1 4.34Å; W94-L145 HydrophobicContact CD2-CD1 4.05Å; W94-L145 HydrophobicContact CG-CD1 3.86Å; W94-I148 HydrophobicContact CD2-CD1 4.14Å; W94-I148 HydrophobicContact CE3-CD1 3.62Å; W94-I148 HydrophobicContact CZ3-CD1 4.03Å; W94-L170 HydrophobicContact CZ3-CD1 4.36Å |
| 95 | G | 94.1 | Very high | 90.9 | Very high | 45 Ų | 45 | 61.1 Ų | 61.1 | 46% | 0.464 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.3 | -44.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S91 I93 S97 E98 | S91-G95 PolarHBondContact O-N 3.33Å; I93-G95 PolarHBondContact O-N 3.14Å; G95-S97 VanDerWaalsContact C-N 3.28Å; G95-S97 PolarHBondContact O-N 2.98Å; G95-E98 PolarHBondContact O-N 3.11Å |
| 96 | K | 92.6 | Very high | 91.1 | Very high | 161 Ų | 161 | 61.4 Ų | 61.4 | 70% | 0.7 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -65.4 | -29.2 | 177.3 | -73.7 | 177.1 | -179.1 | -171.9 | 0 | 113.6 | K92 I93 W94 E98 | K92-K96 WeakPolarHBondContact O-CB 3.49Å; K92-K96 VanDerWaalsContact O-CG 3.27Å; K92-K96 WeakPolarHBondContact O-CG 3.4Å; K92-K96 PolarHBondContact O-N 3.29Å; K92-K96 VanDerWaalsContact O-N 3.08Å; I93-K96 PolarHBondContact O-N 2.94Å; W94-K96 PolarHBondContact O-N 3.05Å; K96-E98 PolarHBondContact O-N 3.22Å |
| 97 | S | 90.1 | Very high | 91.1 | Very high | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.014 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 7.1 | 179.4 | 70.6 | 0 | 0 | 0 | 0 | 114.1 | I93 W94 G95 M99 G100 K101 N102 | I93-S97 WeakPolarHBondContact O-CB 3.43Å; I93-S97 PolarHBondContact O-N 2.71Å; I93-S97 PolarHBondContact O-OG 3.48Å; W94-S97 WeakPolarHBondContact CA-OG 3.17Å; W94-S97 PolarHBondContact O-N 3.1Å; W94-S97 PolarHBondContact O-OG 3.21Å; G95-S97 VanDerWaalsContact C-N 3.28Å; G95-S97 PolarHBondContact O-N 2.98Å; S97-M99 VanDerWaalsContact C-N 3.3Å; S97-M99 PolarHBondContact O-N 3.27Å; S97-G100 PolarHBondContact O-N 3.32Å; S97-G100 VanDerWaalsContact O-N 3.11Å; S97-G100 PolarHBondContact OG-N 3.1Å; S97-K101 PolarHBondContact O-N 2.85Å; S97-K101 VanDerWaalsContact O-N 3.12Å; S97-N102 WeakPolarHBondContact CB-O 3.24Å; S97-N102 PolarHBondContact O-N 3.45Å |
| 98 | E | 89.4 | Confident | 91.3 | Very high | 111 Ų | 111 | 63.8 Ų | 63.8 | 52% | 0.519 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 47.3 | -174.2 | -60.6 | -172.3 | 176.2 | 0 | 0 | 112.6 | G95 K96 G100 K101 N102 | G95-E98 PolarHBondContact O-N 3.11Å; K96-E98 PolarHBondContact O-N 3.22Å; E98-G100 PolarHBondContact O-N 3.26Å; E98-K101 HydrophobicContact CB-CB 4.27Å; E98-K101 HydrophobicContact CB-CD 4.45Å; E98-K101 WeakPolarHBondContact O-CG 3.38Å; E98-N102 PolarHBondContact OE2-OD1 3.05Å |
| 99 | M | 85.8 | Confident | 91.3 | Very high | 105 Ų | 105 | 60.2 Ų | 60.2 | 52% | 0.517 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62 | 39.5 | -177 | -46.7 | -73 | 90.2 | 0 | 0 | 113.3 | W94 S97 | W94-M99 HydrophobicContact CD2-CE 4.3Å; W94-M99 HydrophobicContact CG-CE 3.8Å; W94-M99 HydrophobicContact CH2-CB 4.43Å; W94-M99 WeakPolarHBondContact CH2-O 3.37Å; W94-M99 VanDerWaalsContact CZ2-C 3.47Å; W94-M99 HydrophobicContact CZ2-CB 3.78Å; W94-M99 WeakPolarHBondContact CZ2-O 3.4Å; W94-M99 HydrophobicContact CZ2-SD 4.46Å; W94-M99 VanDerWaalsContact NE1-CE 3.33Å; W94-M99 PolarHBondContact NE1-SD 2.89Å; W94-M99 WeakPolarHBondContact O-CE 3.21Å; W94-M99 PolarHBondContact O-N 3.44Å; S97-M99 VanDerWaalsContact C-N 3.3Å; S97-M99 PolarHBondContact O-N 3.27Å |
| 100 | G | 81.9 | Confident | 91.3 | Very high | 14 Ų | 14 | 60.2 Ų | 60.2 | 14% | 0.144 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | 11.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | L70 S97 E98 | L70-G100 WeakPolarHBondContact CD2-O 3.27Å; S97-G100 PolarHBondContact O-N 3.32Å; S97-G100 VanDerWaalsContact O-N 3.11Å; S97-G100 PolarHBondContact OG-N 3.1Å; E98-G100 PolarHBondContact O-N 3.26Å |
| 101 | K | 85.7 | Confident | 91.1 | Very high | 168 Ų | 168 | 60.5 Ų | 60.5 | 73% | 0.73 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -36.1 | 171.7 | -66.2 | 177.9 | -176.8 | 179.7 | 0 | 111.5 | S97 E98 | S97-K101 PolarHBondContact O-N 2.85Å; S97-K101 VanDerWaalsContact O-N 3.12Å; E98-K101 HydrophobicContact CB-CB 4.27Å; E98-K101 HydrophobicContact CB-CD 4.45Å; E98-K101 WeakPolarHBondContact O-CG 3.38Å |
| 102 | N | 86.6 | Confident | 90.8 | Very high | 83 Ų | 83 | 61.3 Ų | 61.3 | 44% | 0.444 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -106.5 | 114 | -174.1 | -62.6 | 36 | 0 | 0 | 0 | 108.9 | S97 E98 | S97-N102 WeakPolarHBondContact CB-O 3.24Å; S97-N102 PolarHBondContact O-N 3.45Å; E98-N102 PolarHBondContact OE2-OD1 3.05Å |
| 103 | G | 87.4 | Confident | 90.6 | Very high | 38 Ų | 38 | 61.5 Ų | 61.5 | 39% | 0.392 | 32% | 0.323 | S | S | . | . | trans | -171.4 | 165.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L70 Y71 | L70-G103 VanDerWaalsContact CD1-C 3.42Å; L70-G103 WeakPolarHBondContact CD1-O 3.45Å; Y71-G103 CarbonylContact O-C 3.56Å; Y71-G103 WeakPolarHBondContact O-CA 3.37Å | ||
| 104 | T | 91.4 | Very high | 90.4 | Very high | 61 Ų | 61 | 61.3 Ų | 61.3 | 37% | 0.374 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 124.1 | 178.7 | -57.2 | 0 | 0 | 0 | 0 | 110.3 | Y71 M106 | Y71-T104 PolarHBondContact N-O 2.85Å; Y71-T104 PolarHBondContact O-N 3.33Å; T104-M106 HydrophobicContact CG2-CE 3.8Å; T104-M106 HydrophobicContact CG2-CG 4.06Å; T104-M106 PolarHBondContact O-N 3.35Å |
| 105 | K | 92.3 | Very high | 90.4 | Very high | 114 Ų | 114 | 58.9 Ų | 58.9 | 50% | 0.496 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 121.3 | 175.2 | -66.8 | -179.3 | -176.2 | 171.5 | 0 | 109.9 | L70 V120 | L70-K105 HydrophobicContact CD1-CG 3.92Å; K105-V120 HydrophobicContact CB-CB 4.44Å; K105-V120 HydrophobicContact CB-CG2 4.07Å; K105-V120 PolarHBondContact O-N 3.16Å |
| 106 | M | 93.1 | Very high | 90.4 | Very high | 11 Ų | 11 | 62.1 Ų | 62.1 | 5% | 0.054 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 153.6 | -179 | -62.2 | -177.1 | 172.6 | 0 | 0 | 111.1 | V69 Y71 T104 M117 V118 | V69-M106 PolarHBondContact N-O 3Å; V69-M106 PolarHBondContact O-N 3.23Å; Y71-M106 HydrophobicContact CD1-CE 4.13Å; Y71-M106 HydrophobicContact CD1-SD 4.43Å; Y71-M106 HydrophobicContact CG-CE 4.34Å; Y71-M106 HydrophobicContact CG-SD 4.04Å; T104-M106 HydrophobicContact CG2-CE 3.8Å; T104-M106 HydrophobicContact CG2-CG 4.06Å; T104-M106 PolarHBondContact O-N 3.35Å; M106-M117 HydrophobicContact CB-CE 3.28Å; M106-M117 HydrophobicContact CG-CE 4.18Å; M106-M117 HydrophobicContact SD-CB 4.43Å; M106-M117 HydrophobicContact SD-CE 3.84Å; M106-M117 HydrophobicContact SD-SD 4.27Å; M106-V118 CarbonylContact C-O 3.45Å; M106-V118 VanDerWaalsContact CA-O 3.26Å; M106-V118 WeakPolarHBondContact CA-O 3.45Å; M106-V118 WeakPolarHBondContact CB-O 3.22Å |
| 107 | K | 93.3 | Very high | 90.4 | Very high | 92 Ų | 92 | 54.6 Ų | 54.6 | 40% | 0.4 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 119.8 | 167.8 | -64.3 | -176.6 | 178.2 | 174.5 | 0 | 108.3 | T66 M117 V118 V120 | T66-K107 HydrophobicContact CG2-CB 4.03Å; K107-M117 WeakPolarHBondContact O-CA 3.35Å; K107-V118 PolarHBondContact N-O 3.16Å; K107-V118 PolarHBondContact O-N 3.09Å; K107-V120 HydrophobicContact CG-CG2 3.87Å |
| 108 | L | 94.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 116 | 178.1 | -168.9 | 160.3 | 0 | 0 | 0 | 109.2 | T66 Y67 V69 I110 I115 R116 M117 W151 V169 M180 | T66-L108 WeakPolarHBondContact CA-O 3.12Å; Y67-L108 PolarHBondContact N-O 3.27Å; Y67-L108 PolarHBondContact O-N 3.05Å; V69-L108 HydrophobicContact CG1-CB 4.29Å; V69-L108 HydrophobicContact CG2-CB 3.76Å; V69-L108 HydrophobicContact CG2-CD1 4.25Å; L108-I110 HydrophobicContact CD2-CD1 4.18Å; L108-I110 HydrophobicContact CD2-CG1 3.57Å; L108-I115 HydrophobicContact CD1-CG2 3.97Å; L108-I115 HydrophobicContact CD2-CG2 3.71Å; L108-I115 HydrophobicContact CG-CG2 3.61Å; L108-R116 CarbonylContact C-O 3.33Å; L108-R116 WeakPolarHBondContact CA-O 3.36Å; L108-M117 HydrophobicContact CB-CE 3.62Å; L108-M117 HydrophobicContact CB-SD 4.25Å; L108-M117 HydrophobicContact CD1-CE 4.25Å; L108-M117 HydrophobicContact CD1-SD 3.81Å; L108-M117 HydrophobicContact CG-CE 4.08Å; L108-M117 HydrophobicContact CG-CG 4.41Å; L108-M117 HydrophobicContact CG-SD 4.05Å; L108-W151 HydrophobicContact CD1-CH2 4.23Å; L108-W151 HydrophobicContact CD1-CZ3 4.16Å; L108-V169 HydrophobicContact CD1-CG1 4.34Å; L108-V169 HydrophobicContact CD1-CG2 4.23Å; L108-M180 HydrophobicContact CB-CE 4.43Å; L108-M180 HydrophobicContact CD1-CE 3.72Å; L108-M180 HydrophobicContact CD2-CE 3.71Å; L108-M180 HydrophobicContact CG-CE 4.15Å |
| 109 | T | 93.9 | Very high | 90.6 | Very high | 21 Ų | 21 | 53.2 Ų | 53.2 | 13% | 0.129 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 126.8 | 176.6 | -52.9 | 0 | 0 | 0 | 0 | 109.2 | D64 T66 R116 | D64-T109 HydrophobicContact CB-CG2 3.5Å; D64-T109 VanDerWaalsContact CB-CG2 3.5Å; T66-T109 WeakPolarHBondContact CG2-OG1 3.32Å; T66-T109 PolarHBondContact OG1-OG1 3.48Å; T109-R116 PolarHBondContact N-O 3.03Å; T109-R116 PolarHBondContact O-N 3.35Å |
| 110 | I | 93.4 | Very high | 90.6 | Very high | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.015 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 116.8 | 175.8 | -61.7 | 170.4 | 0 | 0 | 0 | 107.5 | P65 Y67 L108 M180 L183 L184 | P65-I110 PolarHBondContact O-N 2.97Å; Y67-I110 HydrophobicContact CE2-CD1 4.25Å; L108-I110 HydrophobicContact CD2-CD1 4.18Å; L108-I110 HydrophobicContact CD2-CG1 3.57Å; I110-M180 HydrophobicContact CD1-CB 3.96Å; I110-M180 HydrophobicContact CD1-CG 4.18Å; I110-L183 HydrophobicContact CB-CD2 3.93Å; I110-L183 HydrophobicContact CB-CG 4.46Å; I110-L183 HydrophobicContact CD1-CD2 3.94Å; I110-L183 HydrophobicContact CD1-CG 4.43Å; I110-L183 HydrophobicContact CG1-CD2 4.5Å; I110-L183 HydrophobicContact CG2-CD2 4.06Å; I110-L183 HydrophobicContact CG2-CG 4.04Å; I110-L184 HydrophobicContact CD1-CB 4.44Å; I110-L184 HydrophobicContact CG2-CB 4.4Å; I110-L184 HydrophobicContact CG2-CD1 4Å |
| 111 | S | 90.8 | Very high | 90.6 | Very high | 7 Ų | 7 | 54.9 Ų | 54.9 | 5% | 0.049 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 169 | -176.2 | 66.2 | 0 | 0 | 0 | 0 | 110.7 | D64 Q113 G114 T187 | D64-S111 VanDerWaalsContact OD2-CB 3.24Å; D64-S111 WeakPolarHBondContact OD2-CB 3.4Å; S111-Q113 PolarHBondContact O-N 2.85Å; S111-Q113 PolarHBondContact OG-N 3.13Å; S111-G114 PolarHBondContact N-O 3.2Å; S111-G114 PolarHBondContact O-N 3.01Å; S111-G114 PolarHBondContact OG-N 3.15Å; S111-G114 PolarHBondContact OG-O 2.68Å; S111-T187 WeakPolarHBondContact O-CG2 3.5Å |
| 112 | S | 87.4 | Confident | 89.6 | Confident | 77 Ų | 77 | 54.2 Ų | 54.2 | 54% | 0.538 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -22.9 | 174.1 | 59.1 | 0 | 0 | 0 | 0 | 113.7 | L133 | S112-L133 WeakPolarHBondContact O-CD2 3.41Š|
| 113 | Q | 88.6 | Confident | 88.5 | Confident | 124 Ų | 124 | 59 Ų | 59 | 58% | 0.579 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -23.4 | 174.8 | -62.9 | -63.8 | -32.2 | 0 | 0 | 112.5 | S111 L132 L133 | S111-Q113 PolarHBondContact O-N 2.85Å; S111-Q113 PolarHBondContact OG-N 3.13Å; Q113-L132 WeakPolarHBondContact O-CA 3.44Å; Q113-L133 PolarHBondContact O-N 3.19Å |
| 114 | G | 91.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 134.9 | -149.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113 | S111 Y131 | S111-G114 PolarHBondContact N-O 3.2Å; S111-G114 PolarHBondContact O-N 3.01Å; S111-G114 PolarHBondContact OG-N 3.15Å; S111-G114 PolarHBondContact OG-O 2.68Å; G114-Y131 CarbonylContact C-O 3.58Å; G114-Y131 VanDerWaalsContact CA-O 3.31Å; G114-Y131 WeakPolarHBondContact CA-O 3.45Å |
| 115 | I | 94.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 119.7 | -177.2 | -55.2 | 172.6 | 0 | 0 | 0 | 109.5 | L108 M117 Y131 I136 W151 L184 | L108-I115 HydrophobicContact CD1-CG2 3.97Å; L108-I115 HydrophobicContact CD2-CG2 3.71Å; L108-I115 HydrophobicContact CG-CG2 3.61Å; I115-M117 HydrophobicContact CG2-CG 4.03Å; I115-Y131 HydrophobicContact CB-CD2 4.38Å; I115-Y131 HydrophobicContact CG2-CD2 4.49Å; I115-Y131 PolarHBondContact N-O 3.2Å; I115-Y131 PolarHBondContact O-N 3.31Å; I115-I136 HydrophobicContact CD1-CD1 3.75Å; I115-I136 HydrophobicContact CG1-CD1 3.86Å; I115-W151 HydrophobicContact CD1-CD2 3.8Å; I115-W151 HydrophobicContact CD1-CE3 4.28Å; I115-W151 HydrophobicContact CD1-CG 3.97Å; I115-W151 HydrophobicContact CD1-CZ2 4.42Å; I115-L184 HydrophobicContact CD1-CD1 4.26Å; I115-L184 HydrophobicContact CD1-CD2 3.78Å; I115-L184 HydrophobicContact CG1-CD1 3.87Å; I115-L184 HydrophobicContact CG1-CD2 4.31Å |
| 116 | R | 93.5 | Very high | 84.4 | Confident | 112 Ų | 112 | 71 Ų | 71 | 42% | 0.423 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 127.1 | 171.8 | -172.4 | -176.6 | -58.6 | -77.5 | -3.5 | 109.8 | L108 T109 V118 L130 | L108-R116 CarbonylContact C-O 3.33Å; L108-R116 WeakPolarHBondContact CA-O 3.36Å; T109-R116 PolarHBondContact N-O 3.03Å; T109-R116 PolarHBondContact O-N 3.35Å; R116-V118 HydrophobicContact CG-CG2 3.99Å; R116-L130 HydrophobicContact CB-CD1 4.21Å |
| 117 | M | 93 | Very high | 83.4 | Confident | 3 Ų | 3 | 75.6 Ų | 75.6 | 2% | 0.015 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 111.7 | -178.8 | -73.8 | -107.1 | 50.9 | 0 | 0 | 108.9 | V69 M106 K107 L108 I115 G128 H129 Y131 W151 V169 | V69-M117 HydrophobicContact CG2-CE 3.86Å; M106-M117 HydrophobicContact CB-CE 3.28Å; M106-M117 HydrophobicContact CG-CE 4.18Å; M106-M117 HydrophobicContact SD-CB 4.43Å; M106-M117 HydrophobicContact SD-CE 3.84Å; M106-M117 HydrophobicContact SD-SD 4.27Å; K107-M117 WeakPolarHBondContact O-CA 3.35Å; L108-M117 HydrophobicContact CB-CE 3.62Å; L108-M117 HydrophobicContact CB-SD 4.25Å; L108-M117 HydrophobicContact CD1-CE 4.25Å; L108-M117 HydrophobicContact CD1-SD 3.81Å; L108-M117 HydrophobicContact CG-CE 4.08Å; L108-M117 HydrophobicContact CG-CG 4.41Å; L108-M117 HydrophobicContact CG-SD 4.05Å; I115-M117 HydrophobicContact CG2-CG 4.03Å; M117-G128 CarbonylContact O-C 3.55Å; M117-G128 WeakPolarHBondContact O-CA 3.45Å; M117-H129 HydrophobicContact CB-CB 4.25Å; M117-H129 PolarHBondContact N-O 3.36Å; M117-H129 PolarHBondContact O-N 2.79Å; M117-Y131 HydrophobicContact CG-CD2 4.38Å; M117-Y131 HydrophobicContact CG-CE2 4.09Å; M117-W151 HydrophobicContact SD-CH2 4.09Å; M117-V169 HydrophobicContact SD-CG1 4.37Å |
| 118 | V | 92.2 | Very high | 82.8 | Confident | 54 Ų | 54 | 73.1 Ų | 73.1 | 33% | 0.327 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 142.9 | -179.5 | -173.2 | 0 | 0 | 0 | 0 | 109 | M106 K107 R116 | M106-V118 CarbonylContact C-O 3.45Å; M106-V118 VanDerWaalsContact CA-O 3.26Å; M106-V118 WeakPolarHBondContact CA-O 3.45Å; M106-V118 WeakPolarHBondContact CB-O 3.22Å; K107-V118 PolarHBondContact N-O 3.16Å; K107-V118 PolarHBondContact O-N 3.09Å; R116-V118 HydrophobicContact CG-CG2 3.99Å |
| 119 | H | 90.9 | Very high | 82.6 | Confident | 30 Ų | 30 | 77.5 Ų | 77.5 | 14% | 0.139 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 142.3 | 173.4 | -74.9 | -90.4 | 0 | 0 | 0 | 110.4 | D121 A124 | H119-D121 PolarHBondContact O-N 3.47Å; H119-A124 HydrophobicContact CB-CB 4.12Å |
| 120 | V | 86.5 | Confident | 82.5 | Confident | 60 Ų | 60 | 79.9 Ų | 79.9 | 36% | 0.364 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -66.2 | -34.3 | 175.3 | 174.5 | 0 | 0 | 0 | 0 | 110.6 | T68 K105 K107 | T68-V120 HydrophobicContact CG2-CG2 4.11Å; K105-V120 HydrophobicContact CB-CB 4.44Å; K105-V120 HydrophobicContact CB-CG2 4.07Å; K105-V120 PolarHBondContact O-N 3.16Å; K107-V120 HydrophobicContact CG-CG2 3.87Å |
| 121 | D | 82.2 | Confident | 82.5 | Confident | 94 Ų | 94 | 80.6 Ų | 80.6 | 50% | 0.503 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -96.4 | 110 | 177.3 | -161.5 | -10.1 | 0 | 0 | 0 | 109.6 | H119 K123 A124 | H119-D121 PolarHBondContact O-N 3.47Å; D121-K123 PolarHBondContact O-N 2.86Å; D121-K123 VanDerWaalsContact O-N 3.16Å; D121-K123 WeakPolarHBondContact OD1-CB 3.33Å; D121-K123 WeakPolarHBondContact OD1-CG 3.44Å; D121-K123 PolarHBondContact OD1-N 2.9Å; D121-A124 WeakPolarHBondContact O-CB 3.43Å; D121-A124 PolarHBondContact O-N 3.1Å; D121-A124 VanDerWaalsContact O-N 3.16Å |
| 122 | D | 65.4 | Low | 82.6 | Confident | 154 Ų | 154 | 83.1 Ų | 83.1 | 82% | 0.824 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -10.1 | -178.1 | -156.4 | 22.9 | 0 | 0 | 0 | 112.3 | A124 | D122-A124 PolarHBondContact O-N 3.43Š|
| 123 | K | 62.8 | Low | 82.8 | Confident | 184 Ų | 184 | 80.3 Ų | 80.3 | 80% | 0.8 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -16.6 | 173.7 | -58.8 | -178.2 | -166.6 | -171.6 | 0 | 112.8 | D121 R125 | D121-K123 PolarHBondContact O-N 2.86Å; D121-K123 VanDerWaalsContact O-N 3.16Å; D121-K123 WeakPolarHBondContact OD1-CB 3.33Å; D121-K123 WeakPolarHBondContact OD1-CG 3.44Å; D121-K123 PolarHBondContact OD1-N 2.9Å; K123-R125 PolarHBondContact O-N 3.28Å; K123-R125 VanDerWaalsContact O-N 3.14Å |
| 124 | A | 61.8 | Low | 82.8 | Confident | 36 Ų | 36 | 81.3 Ų | 81.3 | 30% | 0.298 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -73.5 | 105.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | H119 D121 D122 R126 | H119-A124 HydrophobicContact CB-CB 4.12Å; D121-A124 WeakPolarHBondContact O-CB 3.43Å; D121-A124 PolarHBondContact O-N 3.1Å; D121-A124 VanDerWaalsContact O-N 3.16Å; D122-A124 PolarHBondContact O-N 3.43Å; A124-R126 PolarHBondContact O-N 2.79Å |
| 125 | R | 55.6 | Low | 82.8 | Confident | 251 Ų | 251 | 84.1 Ų | 84.1 | 95% | 0.947 | 41% | 0.409 | S | S | * | . | trans | -58.3 | 12.1 | 178 | -164.5 | 176.9 | 165.5 | -161.7 | -3.1 | 115.1 | K123 | K123-R125 PolarHBondContact O-N 3.28Å; K123-R125 VanDerWaalsContact O-N 3.14Å | ||
| 126 | R | 66.8 | Low | 82.7 | Confident | 178 Ų | 178 | 84.4 Ų | 84.4 | 67% | 0.672 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -92.9 | 124.1 | 179.4 | -68.7 | -163.9 | 177.4 | 89.5 | 1.4 | 109.9 | A124 | A124-R126 PolarHBondContact O-N 2.79Š|
| 127 | P | 72.4 | Confident | 82.6 | Confident | 107 Ų | 107 | 79.5 Ų | 79.5 | 70% | 0.695 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 142.8 | 174.8 | 26.1 | -32.9 | 0 | 0 | 0 | 109.8 | ||
| 128 | G | 80.6 | Confident | 82.6 | Confident | 41 Ų | 41 | 79.7 Ų | 79.7 | 42% | 0.423 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 144.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | M117 | M117-G128 CarbonylContact O-C 3.55Å; M117-G128 WeakPolarHBondContact O-CA 3.45Å |
| 129 | H | 89.9 | Confident | 82.6 | Confident | 92 Ų | 92 | 77.1 Ų | 77.1 | 43% | 0.426 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 134 | 177.8 | -61.1 | -55.7 | 0 | 0 | 0 | 110.5 | M117 Y131 | M117-H129 HydrophobicContact CB-CB 4.25Å; M117-H129 PolarHBondContact N-O 3.36Å; M117-H129 PolarHBondContact O-N 2.79Å; H129-Y131 HydrophobicContact CB-CE2 4.07Å |
| 130 | L | 93.1 | Very high | 82.8 | Confident | 70 Ų | 70 | 75.9 Ų | 75.9 | 37% | 0.366 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 120.2 | 173.9 | -176.8 | 66.1 | 0 | 0 | 0 | 109.4 | R116 | R116-L130 HydrophobicContact CB-CD1 4.21Å |
| 131 | Y | 93.8 | Very high | 83.2 | Confident | 19 Ų | 19 | 73.2 Ų | 73.2 | 8% | 0.075 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 110.8 | 172 | -60.8 | -82.4 | 0 | 0 | 0 | 108.5 | G114 I115 M117 H129 W151 Y153 H167 | G114-Y131 CarbonylContact C-O 3.58Å; G114-Y131 VanDerWaalsContact CA-O 3.31Å; G114-Y131 WeakPolarHBondContact CA-O 3.45Å; I115-Y131 HydrophobicContact CB-CD2 4.38Å; I115-Y131 HydrophobicContact CG2-CD2 4.49Å; I115-Y131 PolarHBondContact N-O 3.2Å; I115-Y131 PolarHBondContact O-N 3.31Å; M117-Y131 HydrophobicContact CG-CD2 4.38Å; M117-Y131 HydrophobicContact CG-CE2 4.09Å; H129-Y131 HydrophobicContact CB-CE2 4.07Å; Y131-W151 HydrophobicContact CD2-CZ2 4.02Å; Y131-W151 AromaticContact CE2-CZ2 3.84Å; Y131-W151 HydrophobicContact CE2-CZ2 3.84Å; Y131-W151 AromaticContact CG-NE1 3.99Å; Y131-Y153 AromaticContact CD1-CD1 3.96Å; Y131-Y153 HydrophobicContact CD1-CD1 3.96Å; Y131-Y153 AromaticContact CD1-CD2 3.61Å; Y131-Y153 HydrophobicContact CD1-CD2 3.61Å; Y131-Y153 HydrophobicContact CD1-CE1 4.16Å; Y131-Y153 AromaticContact CD1-CE2 3.82Å; Y131-Y153 HydrophobicContact CD1-CE2 3.82Å; Y131-Y153 AromaticContact CD1-CG 3.65Å; Y131-Y153 HydrophobicContact CD1-CG 3.65Å; Y131-Y153 HydrophobicContact CE1-CD1 4.38Å; Y131-Y153 HydrophobicContact CE1-CG 4.3Å; Y131-Y153 HydrophobicContact CG-CD2 4.22Å; Y131-Y153 HydrophobicContact CG-CE2 4.3Å; Y131-H167 AromaticContact CE1-CE1 3.72Å; Y131-H167 AromaticContact CE1-NE2 3.56Å; Y131-H167 AromaticContact CZ-CE1 3.83Å; Y131-H167 PolarHBondContact OH-CE1 2.72Å; Y131-H167 VanDerWaalsContact OH-CE1 3.27Å; Y131-H167 PolarHBondContact OH-ND1 3.2Å |
| 132 | L | 92.8 | Very high | 83.6 | Confident | 60 Ų | 60 | 69 Ų | 69 | 31% | 0.314 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 138.1 | -177.3 | -70.8 | 82.9 | 0 | 0 | 0 | 111 | Q113 H134 R135 I136 | Q113-L132 WeakPolarHBondContact O-CA 3.44Å; L132-H134 VanDerWaalsContact C-N 3.32Å; L132-H134 WeakPolarHBondContact CD2-CE1 3.35Å; L132-H134 PolarHBondContact O-N 3.44Å; L132-R135 PolarHBondContact O-N 3.04Å; L132-I136 PolarHBondContact O-N 3.45Å |
| 133 | L | 91.1 | Very high | 84.7 | Confident | 18 Ų | 18 | 66.5 Ų | 66.5 | 9% | 0.094 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -58.9 | -41.4 | -173.7 | -164 | 56.5 | 0 | 0 | 0 | 112.7 | S112 Q113 R135 I136 L184 T187 A191 | S112-L133 WeakPolarHBondContact O-CD2 3.41Å; Q113-L133 PolarHBondContact O-N 3.19Å; L133-R135 PolarHBondContact O-N 3.4Å; L133-R135 VanDerWaalsContact O-N 3.15Å; L133-I136 HydrophobicContact CD1-CD1 4.46Å; L133-I136 PolarHBondContact O-N 2.71Å; L133-I136 VanDerWaalsContact O-N 3.1Å; L133-L184 HydrophobicContact CD1-CD1 3.77Å; L133-T187 HydrophobicContact CD2-CG2 4.23Å; L133-A191 HydrophobicContact CD2-CB 3.75Å |
| 134 | H | 88.5 | Confident | 86 | Confident | 144 Ų | 144 | 64.8 Ų | 64.8 | 67% | 0.667 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -67.7 | -12 | 179.6 | 68.9 | -98 | 0 | 0 | 0 | 114.2 | L132 | L132-H134 VanDerWaalsContact C-N 3.32Å; L132-H134 WeakPolarHBondContact CD2-CE1 3.35Å; L132-H134 PolarHBondContact O-N 3.44Å |
| 135 | R | 91.2 | Very high | 87.4 | Confident | 59 Ų | 59 | 65.2 Ų | 65.2 | 22% | 0.223 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -100.9 | -8.4 | 175.9 | -63.8 | -175.6 | -179.2 | -148.5 | 0 | 112.7 | L132 L133 Y153 R154 E156 | L132-R135 PolarHBondContact O-N 3.04Å; L133-R135 PolarHBondContact O-N 3.4Å; L133-R135 VanDerWaalsContact O-N 3.15Å; R135-Y153 HydrophobicContact CB-CD2 3.97Å; R135-Y153 HydrophobicContact CB-CE2 3.41Å; R135-Y153 VanDerWaalsContact CB-CE2 3.41Å; R135-Y153 VanDerWaalsContact CD-OH 3.29Å; R135-Y153 WeakPolarHBondContact CD-OH 3.47Å; R135-Y153 HydrophobicContact CG-CE2 4.43Å; R135-R154 HydrophobicContact CB-CB 4.34Å; R135-R154 WeakPolarHBondContact O-CB 3.47Å; R135-R154 PolarHBondContact O-N 2.96Å; R135-E156 VanDerWaalsContact CZ-CD 3.42Å; R135-E156 IonicContact CZ-OE1 3.91Å; R135-E156 VanDerWaalsContact CZ-OE1 3.27Å; R135-E156 IonicContact CZ-OE2 3.91Å; R135-E156 IonicContact NH1-OE1 3.22Å; R135-E156 PolarHBondContact NH1-OE1 3.17Å; R135-E156 IonicContact NH1-OE2 2.68Å; R135-E156 PolarHBondContact NH1-OE2 2.91Å; R135-E156 IonicContact NH2-OE1 3.37Å; R135-E156 PolarHBondContact NH2-OE1 2.85Å; R135-E156 IonicContact NH2-OE2 3.04Å; R135-E156 PolarHBondContact NH2-OE2 3.32Å |
| 136 | I | 92.5 | Very high | 89 | Confident | 7 Ų | 7 | 56.2 Ų | 56.2 | 4% | 0.036 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 121.4 | 175 | -58.1 | 169.4 | 0 | 0 | 0 | 107.8 | I115 L132 L133 W151 I152 Y153 L184 M294 | I115-I136 HydrophobicContact CD1-CD1 3.75Å; I115-I136 HydrophobicContact CG1-CD1 3.86Å; L132-I136 PolarHBondContact O-N 3.45Å; L133-I136 HydrophobicContact CD1-CD1 4.46Å; L133-I136 PolarHBondContact O-N 2.71Å; L133-I136 VanDerWaalsContact O-N 3.1Å; I136-W151 HydrophobicContact CG2-CB 4.24Å; I136-I152 WeakPolarHBondContact CA-O 3.2Å; I136-Y153 HydrophobicContact CG1-CD2 3.9Å; I136-Y153 HydrophobicContact CG1-CE2 4.46Å; I136-L184 HydrophobicContact CD1-CD1 4.45Å; I136-M294 HydrophobicContact CB-SD 4.07Å; I136-M294 HydrophobicContact CG2-CG 4.41Å; I136-M294 HydrophobicContact CG2-SD 3.49Å; I136-M294 WeakPolarHBondContact CG2-SD 3.49Å |
| 137 | T | 91.5 | Very high | 90.3 | Very high | 8 Ų | 8 | 52.8 Ų | 52.8 | 5% | 0.049 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | -32.6 | -173.1 | 47.1 | 0 | 0 | 0 | 0 | 112.5 | S80 I152 S295 | S80-T137 WeakPolarHBondContact O-CB 3.32Å; S80-T137 PolarHBondContact O-OG1 3.45Å; T137-I152 PolarHBondContact N-O 2.85Å; T137-I152 WeakPolarHBondContact OG1-CG2 3.24Å; T137-I152 PolarHBondContact OG1-O 3.15Å; T137-S295 PolarHBondContact O-N 2.81Å; T137-S295 PolarHBondContact O-OG 3.4Å |
| 138 | Y | 92.4 | Very high | 91.4 | Very high | 7 Ų | 7 | 47.8 Ų | 47.8 | 3% | 0.027 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 144.3 | -175.9 | -177.5 | -107.5 | 0 | 0 | 0 | 111.5 | S80 G82 C85 T86 V140 W151 I152 S295 G297 | S80-Y138 WeakPolarHBondContact O-CB 3.46Å; G82-Y138 PolarHBondContact O-OH 2.89Å; C85-Y138 WeakPolarHBondContact SG-CD1 3.47Å; C85-Y138 WeakPolarHBondContact SG-CE1 3.28Å; T86-Y138 HydrophobicContact CG2-CD1 3.57Å; T86-Y138 HydrophobicContact CG2-CE1 3.55Å; Y138-V140 HydrophobicContact CD1-CB 4.45Å; Y138-V140 HydrophobicContact CD1-CG1 4.35Å; Y138-V140 HydrophobicContact CE1-CB 3.68Å; Y138-V140 HydrophobicContact CE1-CG1 3.71Å; Y138-V140 HydrophobicContact CE1-CG2 4.46Å; Y138-W151 CarbonylContact O-C 3.59Å; Y138-W151 VanDerWaalsContact O-CA 3.24Å; Y138-W151 WeakPolarHBondContact O-CA 3.35Å; Y138-W151 WeakPolarHBondContact O-CB 3.29Å; Y138-I152 HydrophobicContact CD1-CD1 4Å; Y138-I152 HydrophobicContact CD1-CG1 4.29Å; Y138-I152 HydrophobicContact CG-CD1 4.39Å; Y138-I152 PolarHBondContact O-N 3.48Å; Y138-S295 VanDerWaalsContact CA-O 3.29Å; Y138-S295 WeakPolarHBondContact CA-O 3.5Å; Y138-S295 WeakPolarHBondContact CD2-O 3.24Å; Y138-S295 WeakPolarHBondContact CD2-OG 3.45Å; Y138-G297 VanDerWaalsContact CE2-CA 3.45Å; Y138-G297 WeakPolarHBondContact OH-CA 3.48Å |
| 139 | C | 93.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 145.7 | 172.4 | 68.9 | 0 | 0 | 0 | 0 | 111 | F149 W151 L184 M294 S295 I296 G297 | C139-F149 HydrophobicContact CB-CE2 4.34Å; C139-F149 HydrophobicContact CB-CZ 4.46Å; C139-W151 HydrophobicContact CB-CB 4.5Å; C139-L184 HydrophobicContact CB-CD2 3.83Å; C139-M294 HydrophobicContact CB-CE 4.48Å; C139-M294 HydrophobicContact CB-SD 4.39Å; C139-S295 PolarHBondContact N-O 3.22Å; C139-S295 VanDerWaalsContact N-O 3.08Å; C139-I296 WeakPolarHBondContact O-CA 3.27Å; C139-G297 PolarHBondContact O-N 3.14Å |
| 140 | V | 94.4 | Very high | 92.4 | Very high | 5 Ų | 5 | 41.5 Ų | 41.5 | 3% | 0.03 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 142.9 | -178 | 66.6 | 0 | 0 | 0 | 0 | 111.6 | T86 Y138 F149 A150 N298 | T86-V140 HydrophobicContact CG2-CG1 3.9Å; T86-V140 WeakPolarHBondContact OG1-CG1 3.4Å; Y138-V140 HydrophobicContact CD1-CB 4.45Å; Y138-V140 HydrophobicContact CD1-CG1 4.35Å; Y138-V140 HydrophobicContact CE1-CB 3.68Å; Y138-V140 HydrophobicContact CE1-CG1 3.71Å; Y138-V140 HydrophobicContact CE1-CG2 4.46Å; V140-F149 WeakPolarHBondContact O-CD2 3.4Å; V140-A150 HydrophobicContact CG1-CB 4.07Å; V140-A150 PolarHBondContact N-O 3.4Å; V140-A150 PolarHBondContact O-N 3.22Å; V140-N298 WeakPolarHBondContact CA-OD1 3.5Å; V140-N298 WeakPolarHBondContact CG2-OD1 3.44Å |
| 141 | A | 94.7 | Very high | 92.6 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 3% | 0.033 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 115 | 159.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | P143 A177 K178 A181 N298 | A141-P143 WeakPolarHBondContact O-CD 3.36Å; A141-A177 HydrophobicContact CB-CB 4.32Å; A141-K178 HydrophobicContact CB-CG 4.1Å; A141-A181 HydrophobicContact CB-CB 4.3Å; A141-N298 PolarHBondContact N-OD1 2.8Å; A141-N298 PolarHBondContact O-ND2 2.89Å |
| 142 | D | 91.8 | Very high | 92.6 | Very high | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.027 | 18% | 0.182 | C | C | . | . | trans | -62.5 | 122.2 | -170.9 | -174.2 | -14.5 | 0 | 0 | 0 | 110.7 | R144 L145 P146 I148 | D142-R144 VanDerWaalsContact C-N 3.28Å; D142-R144 PolarHBondContact O-N 3.22Å; D142-R144 WeakPolarHBondContact OD1-CB 3.46Å; D142-R144 PolarHBondContact OD1-N 2.65Å; D142-R144 IonicContact OD1-NE 2.94Å; D142-L145 HydrophobicContact CB-CB 4.31Å; D142-L145 CarbonylContact O-C 3.54Å; D142-L145 PolarHBondContact O-N 2.68Å; D142-P146 VanDerWaalsContact O-CA 3.29Å; D142-P146 WeakPolarHBondContact O-CA 3.5Å; D142-I148 HydrophobicContact CB-CB 4.46Å; D142-I148 PolarHBondContact N-O 2.95Å | ||
| 143 | P | 88.1 | Confident | 92.7 | Very high | 102 Ų | 102 | 35 Ų | 35 | 66% | 0.662 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -62.6 | -31.8 | 176.8 | -22.6 | 33.7 | 0 | 0 | 0 | 113.8 | A141 | A141-P143 WeakPolarHBondContact O-CD 3.36Š|
| 144 | R | 89.1 | Confident | 92.7 | Very high | 147 Ų | 147 | 38 Ų | 38 | 56% | 0.555 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -76.9 | -38.9 | 179.5 | -71.3 | 175.9 | -78.9 | -139.2 | -42.9 | 111.8 | D87 D142 P146 | D87-R144 VanDerWaalsContact CB-NH2 3.34Å; D87-R144 IonicContact OD1-NH2 2.68Å; D87-R144 PolarHBondContact OD1-NH2 2.7Å; D87-R144 IonicContact OD2-CZ 3.6Å; D87-R144 IonicContact OD2-NH2 3.76Å; D87-R144 PolarHBondContact OD2-NH2 3.19Å; D142-R144 VanDerWaalsContact C-N 3.28Å; D142-R144 PolarHBondContact O-N 3.22Å; D142-R144 WeakPolarHBondContact OD1-CB 3.46Å; D142-R144 PolarHBondContact OD1-N 2.65Å; D142-R144 IonicContact OD1-NE 2.94Å; R144-P146 WeakPolarHBondContact O-CD 3.47Å |
| 145 | L | 91.1 | Very high | 92.8 | Very high | 46 Ų | 46 | 33.4 Ų | 33.4 | 24% | 0.241 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -119 | 79 | -179.1 | -63.4 | 173.6 | 0 | 0 | 0 | 108.4 | V90 W94 D142 K147 I148 | V90-L145 HydrophobicContact CG1-CD1 4.38Å; W94-L145 HydrophobicContact CB-CD1 4.34Å; W94-L145 HydrophobicContact CD2-CD1 4.05Å; W94-L145 HydrophobicContact CG-CD1 3.86Å; D142-L145 HydrophobicContact CB-CB 4.31Å; D142-L145 CarbonylContact O-C 3.54Å; D142-L145 PolarHBondContact O-N 2.68Å; L145-K147 PolarHBondContact O-N 2.77Å; L145-I148 HydrophobicContact CB-CB 4.22Å; L145-I148 HydrophobicContact CB-CD1 3.66Å; L145-I148 HydrophobicContact CB-CG1 3.89Å; L145-I148 HydrophobicContact CD1-CD1 3.49Å; L145-I148 VanDerWaalsContact CD1-CD1 3.49Å; L145-I148 HydrophobicContact CG-CD1 4.17Å; L145-I148 WeakPolarHBondContact O-CB 3.34Å; L145-I148 PolarHBondContact O-N 3.06Å |
| 146 | P | 90.6 | Very high | 92.7 | Very high | 61 Ų | 61 | 36.3 Ų | 36.3 | 40% | 0.396 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -12.3 | -164.6 | 28.7 | -38.6 | 0 | 0 | 0 | 114.1 | D142 R144 P174 | D142-P146 VanDerWaalsContact O-CA 3.29Å; D142-P146 WeakPolarHBondContact O-CA 3.5Å; R144-P146 WeakPolarHBondContact O-CD 3.47Å; P146-P174 HydrophobicContact CB-CB 3.74Å; P146-P174 HydrophobicContact CG-CB 4.38Å; P146-P174 WeakPolarHBondContact O-CA 3.26Å; P146-P174 WeakPolarHBondContact O-CB 3.47Å |
| 147 | K | 94.1 | Very high | 92.4 | Very high | 107 Ų | 107 | 40.5 Ų | 40.5 | 47% | 0.465 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -9.4 | 174.4 | -66.3 | -175.3 | -176.8 | 179.4 | 0 | 113.4 | L145 L170 V171 | L145-K147 PolarHBondContact O-N 2.77Å; K147-L170 HydrophobicContact CB-CD1 3.62Å; K147-V171 WeakPolarHBondContact CB-O 3.44Å; K147-V171 PolarHBondContact O-N 2.9Å |
| 148 | I | 95.3 | Very high | 91.9 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 128.6 | -179.1 | -62.2 | -175.6 | 0 | 0 | 0 | 109.6 | L72 V90 W94 D142 L145 A168 V169 L170 | L72-I148 HydrophobicContact CD1-CD1 4.23Å; V90-I148 HydrophobicContact CG1-CD1 4.09Å; V90-I148 HydrophobicContact CG1-CG2 4.11Å; W94-I148 HydrophobicContact CD2-CD1 4.14Å; W94-I148 HydrophobicContact CE3-CD1 3.62Å; W94-I148 HydrophobicContact CZ3-CD1 4.03Å; D142-I148 HydrophobicContact CB-CB 4.46Å; D142-I148 PolarHBondContact N-O 2.95Å; L145-I148 HydrophobicContact CB-CB 4.22Å; L145-I148 HydrophobicContact CB-CD1 3.66Å; L145-I148 HydrophobicContact CB-CG1 3.89Å; L145-I148 HydrophobicContact CD1-CD1 3.49Å; L145-I148 VanDerWaalsContact CD1-CD1 3.49Å; L145-I148 HydrophobicContact CG-CD1 4.17Å; L145-I148 WeakPolarHBondContact O-CB 3.34Å; L145-I148 PolarHBondContact O-N 3.06Å; I148-A168 HydrophobicContact CG2-CB 4.12Å; I148-V169 WeakPolarHBondContact CA-O 3.18Å; I148-L170 HydrophobicContact CG1-CD1 4.14Å |
| 149 | F | 96.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 129.3 | 166.5 | 173.7 | -114.2 | 0 | 0 | 0 | 108.5 | C139 V140 W151 V169 V171 A177 M180 A181 L184 | C139-F149 HydrophobicContact CB-CE2 4.34Å; C139-F149 HydrophobicContact CB-CZ 4.46Å; V140-F149 WeakPolarHBondContact O-CD2 3.4Å; F149-W151 HydrophobicContact CD1-CE3 4.04Å; F149-W151 HydrophobicContact CD1-CZ3 4.19Å; F149-W151 AromaticContact CE1-CE3 3.77Å; F149-W151 HydrophobicContact CE1-CE3 3.77Å; F149-W151 HydrophobicContact CE1-CZ3 4.21Å; F149-V169 HydrophobicContact CB-CG2 3.83Å; F149-V169 HydrophobicContact CD1-CG2 3.79Å; F149-V169 HydrophobicContact CG-CG2 4.31Å; F149-V169 PolarHBondContact N-O 3.09Å; F149-V169 WeakPolarHBondContact O-CG2 3.41Å; F149-V169 PolarHBondContact O-N 2.78Å; F149-V171 HydrophobicContact CB-CG2 4.39Å; F149-A177 HydrophobicContact CB-CB 4.16Å; F149-M180 HydrophobicContact CD1-CB 4.37Å; F149-M180 HydrophobicContact CD1-CE 3.83Å; F149-M180 HydrophobicContact CD2-CB 4.4Å; F149-M180 HydrophobicContact CE1-CB 4.45Å; F149-M180 HydrophobicContact CE1-CE 4.27Å; F149-M180 HydrophobicContact CG-CB 4.34Å; F149-M180 HydrophobicContact CG-CE 4.5Å; F149-A181 HydrophobicContact CD2-CB 3.97Å; F149-A181 VanDerWaalsContact CE2-CA 3.45Å; F149-A181 HydrophobicContact CE2-CB 3.64Å; F149-L184 HydrophobicContact CZ-CD2 3.92Å |
| 150 | A | 95.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 148.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V90 V140 H167 A168 | V90-A150 HydrophobicContact CG2-CB 3.76Å; V140-A150 HydrophobicContact CG1-CB 4.07Å; V140-A150 PolarHBondContact N-O 3.4Å; V140-A150 PolarHBondContact O-N 3.22Å; A150-H167 WeakPolarHBondContact CA-O 3.27Å; A150-H167 WeakPolarHBondContact CB-O 2.93Å; A150-A168 HydrophobicContact CB-CB 4.44Å |
| 151 | W | 95.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 152.8 | 173.7 | 69.7 | 96 | 0 | 0 | 0 | 111.1 | L108 I115 M117 Y131 I136 Y138 C139 F149 C166 H167 V169 | L108-W151 HydrophobicContact CD1-CH2 4.23Å; L108-W151 HydrophobicContact CD1-CZ3 4.16Å; I115-W151 HydrophobicContact CD1-CD2 3.8Å; I115-W151 HydrophobicContact CD1-CE3 4.28Å; I115-W151 HydrophobicContact CD1-CG 3.97Å; I115-W151 HydrophobicContact CD1-CZ2 4.42Å; M117-W151 HydrophobicContact SD-CH2 4.09Å; Y131-W151 HydrophobicContact CD2-CZ2 4.02Å; Y131-W151 AromaticContact CE2-CZ2 3.84Å; Y131-W151 HydrophobicContact CE2-CZ2 3.84Å; Y131-W151 AromaticContact CG-NE1 3.99Å; I136-W151 HydrophobicContact CG2-CB 4.24Å; Y138-W151 CarbonylContact O-C 3.59Å; Y138-W151 VanDerWaalsContact O-CA 3.24Å; Y138-W151 WeakPolarHBondContact O-CA 3.35Å; Y138-W151 WeakPolarHBondContact O-CB 3.29Å; C139-W151 HydrophobicContact CB-CB 4.5Å; F149-W151 HydrophobicContact CD1-CE3 4.04Å; F149-W151 HydrophobicContact CD1-CZ3 4.19Å; F149-W151 AromaticContact CE1-CE3 3.77Å; F149-W151 HydrophobicContact CE1-CE3 3.77Å; F149-W151 HydrophobicContact CE1-CZ3 4.21Å; W151-C166 WeakPolarHBondContact O-CA 3.48Å; W151-H167 HydrophobicContact CD2-CB 3.81Å; W151-H167 AromaticContact CE2-CG 3.93Å; W151-H167 HydrophobicContact CE3-CB 4.18Å; W151-H167 HydrophobicContact CG-CB 4.45Å; W151-H167 HydrophobicContact CH2-CB 3.82Å; W151-H167 HydrophobicContact CZ2-CB 3.4Å; W151-H167 VanDerWaalsContact CZ2-CB 3.4Å; W151-H167 AromaticContact CZ2-CG 3.92Å; W151-H167 HydrophobicContact CZ3-CB 4.18Å; W151-H167 PolarHBondContact N-O 3.38Å; W151-H167 AromaticContact NE1-CD2 3.74Å; W151-H167 AromaticContact NE1-CG 3.94Å; W151-H167 PolarHBondContact O-N 2.96Å; W151-V169 HydrophobicContact CH2-CG1 3.78Å; W151-V169 HydrophobicContact CZ3-CB 4.47Å; W151-V169 HydrophobicContact CZ3-CG1 3.7Å; W151-V169 HydrophobicContact CZ3-CG2 4.06Å |
| 152 | I | 94.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 121 | 176.2 | -58.4 | 178 | 0 | 0 | 0 | 108.9 | T77 C85 T86 I136 T137 Y138 L164 R165 | T77-I152 HydrophobicContact CG2-CD1 4.06Å; T77-I152 HydrophobicContact CG2-CG1 4.31Å; T77-I152 HydrophobicContact CG2-CG2 3.92Å; C85-I152 HydrophobicContact CB-CD1 4.42Å; T86-I152 HydrophobicContact CG2-CD1 3.79Å; T86-I152 HydrophobicContact CG2-CG1 3.82Å; I136-I152 WeakPolarHBondContact CA-O 3.2Å; T137-I152 PolarHBondContact N-O 2.85Å; T137-I152 WeakPolarHBondContact OG1-CG2 3.24Å; T137-I152 PolarHBondContact OG1-O 3.15Å; Y138-I152 HydrophobicContact CD1-CD1 4Å; Y138-I152 HydrophobicContact CD1-CG1 4.29Å; Y138-I152 HydrophobicContact CG-CD1 4.39Å; Y138-I152 PolarHBondContact O-N 3.48Å; I152-L164 HydrophobicContact CG2-CB 4.08Å; I152-L164 HydrophobicContact CG2-CD2 4.26Å; I152-R165 WeakPolarHBondContact CA-O 3.33Å |
| 153 | Y | 93.8 | Very high | 89.8 | Confident | 14 Ų | 14 | 74.6 Ų | 74.6 | 6% | 0.055 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 136.5 | 177.5 | -170.2 | -101 | 0 | 0 | 0 | 111.4 | Y131 R135 I136 H155 R165 | Y131-Y153 AromaticContact CD1-CD1 3.96Å; Y131-Y153 HydrophobicContact CD1-CD1 3.96Å; Y131-Y153 AromaticContact CD1-CD2 3.61Å; Y131-Y153 HydrophobicContact CD1-CD2 3.61Å; Y131-Y153 HydrophobicContact CD1-CE1 4.16Å; Y131-Y153 AromaticContact CD1-CE2 3.82Å; Y131-Y153 HydrophobicContact CD1-CE2 3.82Å; Y131-Y153 AromaticContact CD1-CG 3.65Å; Y131-Y153 HydrophobicContact CD1-CG 3.65Å; Y131-Y153 HydrophobicContact CE1-CD1 4.38Å; Y131-Y153 HydrophobicContact CE1-CG 4.3Å; Y131-Y153 HydrophobicContact CG-CD2 4.22Å; Y131-Y153 HydrophobicContact CG-CE2 4.3Å; R135-Y153 HydrophobicContact CB-CD2 3.97Å; R135-Y153 HydrophobicContact CB-CE2 3.41Å; R135-Y153 VanDerWaalsContact CB-CE2 3.41Å; R135-Y153 VanDerWaalsContact CD-OH 3.29Å; R135-Y153 WeakPolarHBondContact CD-OH 3.47Å; R135-Y153 HydrophobicContact CG-CE2 4.43Å; I136-Y153 HydrophobicContact CG1-CD2 3.9Å; I136-Y153 HydrophobicContact CG1-CE2 4.46Å; Y153-H155 AromaticContact CD1-CD2 3.58Å; Y153-H155 AromaticContact CD1-CE1 3.54Å; Y153-H155 AromaticContact CD1-CG 3.87Å; Y153-H155 AromaticContact CD1-ND1 3.84Å; Y153-H155 AromaticContact CD1-NE2 3.41Å; Y153-H155 WeakPolarHBondContact CD1-NE2 3.05Å; Y153-H155 AromaticContact CE1-CE1 3.67Å; Y153-H155 AromaticContact CE1-ND1 3.76Å; Y153-R165 PolarHBondContact N-O 3.06Å; Y153-R165 PolarHBondContact O-N 3.09Å |
| 154 | R | 91.9 | Very high | 90 | Very high | 81 Ų | 81 | 70.8 Ų | 70.8 | 31% | 0.306 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 107.4 | 174.6 | -170.4 | -179.1 | -68.3 | -99.9 | -1.3 | 110.1 | R135 V162 L164 | R135-R154 HydrophobicContact CB-CB 4.34Å; R135-R154 WeakPolarHBondContact O-CB 3.47Å; R135-R154 PolarHBondContact O-N 2.96Å; R154-V162 HydrophobicContact CG-CG1 3.21Å; R154-L164 HydrophobicContact CB-CD2 4.39Å; R154-L164 HydrophobicContact CG-CD2 4.43Å |
| 155 | H | 90.4 | Very high | 90.3 | Very high | 46 Ų | 46 | 67.2 Ų | 67.2 | 21% | 0.213 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 131.2 | 170.5 | -75 | -80.3 | 0 | 0 | 0 | 110.7 | Y153 M163 H167 | Y153-H155 AromaticContact CD1-CD2 3.58Å; Y153-H155 AromaticContact CD1-CE1 3.54Å; Y153-H155 AromaticContact CD1-CG 3.87Å; Y153-H155 AromaticContact CD1-ND1 3.84Å; Y153-H155 AromaticContact CD1-NE2 3.41Å; Y153-H155 WeakPolarHBondContact CD1-NE2 3.05Å; Y153-H155 AromaticContact CE1-CE1 3.67Å; Y153-H155 AromaticContact CE1-ND1 3.76Å; H155-M163 PolarHBondContact N-O 3.48Å; H155-M163 PolarHBondContact O-N 2.86Å; H155-H167 AromaticContact NE2-NE2 3.61Å |
| 156 | E | 89.6 | Confident | 90.5 | Very high | 121 Ų | 121 | 65 Ų | 65 | 57% | 0.565 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 125.4 | 166 | -71.2 | 161 | -177.6 | 0 | 0 | 108.2 | R135 | R135-E156 VanDerWaalsContact CZ-CD 3.42Å; R135-E156 IonicContact CZ-OE1 3.91Å; R135-E156 VanDerWaalsContact CZ-OE1 3.27Å; R135-E156 IonicContact CZ-OE2 3.91Å; R135-E156 IonicContact NH1-OE1 3.22Å; R135-E156 PolarHBondContact NH1-OE1 3.17Å; R135-E156 IonicContact NH1-OE2 2.68Å; R135-E156 PolarHBondContact NH1-OE2 2.91Å; R135-E156 IonicContact NH2-OE1 3.37Å; R135-E156 PolarHBondContact NH2-OE1 2.85Å; R135-E156 IonicContact NH2-OE2 3.04Å; R135-E156 PolarHBondContact NH2-OE2 3.32Å |
| 157 | M | 86.1 | Confident | 90.7 | Very high | 95 Ų | 95 | 62.2 Ų | 62.2 | 47% | 0.468 | 29% | 0.291 | S | S | . | . | trans | -100.9 | 175.1 | 175 | -59 | -65.6 | -82.2 | 0 | 0 | 109 | A161 M163 | M157-A161 WeakPolarHBondContact CA-O 3.36Å; M157-A161 HydrophobicContact CB-CB 4.21Å; M157-A161 WeakPolarHBondContact CB-O 3.32Å; M157-A161 PolarHBondContact N-O 3.43Å; M157-M163 HydrophobicContact CE-CE 3.85Å; M157-M163 HydrophobicContact CE-SD 4.19Å; M157-M163 HydrophobicContact CG-CB 3.68Å; M157-M163 HydrophobicContact SD-CB 4.17Å; M157-M163 HydrophobicContact SD-CE 3.65Å; M157-M163 HydrophobicContact SD-SD 4.43Å | ||
| 158 | K | 81.8 | Confident | 90.8 | Very high | 183 Ų | 183 | 57.2 Ų | 57.2 | 80% | 0.796 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -58.3 | 151.6 | 172.7 | -61.6 | -175.8 | 177.4 | -175.1 | 0 | 110.1 | A161 | K158-A161 PolarHBondContact O-N 3.32Š|
| 159 | H | 84.2 | Confident | 90.8 | Very high | 185 Ų | 185 | 57.1 Ų | 57.1 | 86% | 0.856 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | 62.3 | 36.4 | -179.9 | -53 | -77.2 | 0 | 0 | 0 | 115.5 | A161 | H159-A161 PolarHBondContact O-N 3.04Š|
| 160 | K | 78.1 | Confident | 90.8 | Very high | 210 Ų | 210 | 58.8 Ų | 58.8 | 91% | 0.913 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | 59.4 | 9.5 | -180 | -54.7 | -178.9 | 177.2 | -176.3 | 0 | 114.2 | ||
| 161 | A | 83.4 | Confident | 90.8 | Very high | 51 Ų | 51 | 59 Ų | 59 | 42% | 0.421 | 28% | 0.279 | S | S | . | . | trans | -71.3 | 143.2 | 176 | 0 | 0 | 0 | 0 | 0 | 110 | M157 K158 H159 | M157-A161 WeakPolarHBondContact CA-O 3.36Å; M157-A161 HydrophobicContact CB-CB 4.21Å; M157-A161 WeakPolarHBondContact CB-O 3.32Å; M157-A161 PolarHBondContact N-O 3.43Å; K158-A161 PolarHBondContact O-N 3.32Å; H159-A161 PolarHBondContact O-N 3.04Å | ||
| 162 | V | 86.3 | Confident | 90.6 | Very high | 73 Ų | 73 | 62 Ų | 62 | 44% | 0.442 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 130.2 | -179 | 176 | 0 | 0 | 0 | 0 | 110 | R154 | R154-V162 HydrophobicContact CG-CG1 3.21Å |
| 163 | M | 90.1 | Very high | 90.5 | Very high | 43 Ų | 43 | 67.4 Ų | 67.4 | 21% | 0.212 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 128.7 | 175.5 | -175.7 | 175.1 | 66.2 | 0 | 0 | 110.5 | T76 H155 M157 | T76-M163 HydrophobicContact CG2-CE 4.48Å; T76-M163 HydrophobicContact CG2-CG 4.24Å; T76-M163 HydrophobicContact CG2-SD 3.64Å; H155-M163 PolarHBondContact N-O 3.48Å; H155-M163 PolarHBondContact O-N 2.86Å; M157-M163 HydrophobicContact CE-CE 3.85Å; M157-M163 HydrophobicContact CE-SD 4.19Å; M157-M163 HydrophobicContact CG-CB 3.68Å; M157-M163 HydrophobicContact SD-CB 4.17Å; M157-M163 HydrophobicContact SD-CE 3.65Å; M157-M163 HydrophobicContact SD-SD 4.43Å |
| 164 | L | 92.6 | Very high | 90.5 | Very high | 21 Ų | 21 | 68.4 Ų | 68.4 | 11% | 0.11 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 129.9 | 175.3 | -58.1 | 168.2 | 0 | 0 | 0 | 109.7 | T77 I152 R154 | T77-L164 HydrophobicContact CG2-CB 3.72Å; T77-L164 PolarHBondContact N-O 3.4Å; T77-L164 WeakPolarHBondContact O-CB 3.39Å; I152-L164 HydrophobicContact CG2-CB 4.08Å; I152-L164 HydrophobicContact CG2-CD2 4.26Å; R154-L164 HydrophobicContact CB-CD2 4.39Å; R154-L164 HydrophobicContact CG-CD2 4.43Å |
| 165 | R | 94.2 | Very high | 90.6 | Very high | 73 Ų | 73 | 66.4 Ų | 66.4 | 28% | 0.275 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 122.6 | -179.9 | -172.4 | 172.2 | -85.6 | -173.3 | -2.7 | 109.5 | N74 A75 I152 Y153 | N74-R165 HydrophobicContact CB-CG 3.75Å; N74-R165 WeakPolarHBondContact ND2-CD 3.38Å; N74-R165 VanDerWaalsContact ND2-CZ 3.3Å; N74-R165 PolarHBondContact ND2-NE 2.84Å; N74-R165 VanDerWaalsContact ND2-NE 3.17Å; N74-R165 PolarHBondContact ND2-NH1 2.55Å; A75-R165 CarbonylContact O-C 3.54Å; A75-R165 WeakPolarHBondContact O-CA 3.2Å; I152-R165 WeakPolarHBondContact CA-O 3.33Å; Y153-R165 PolarHBondContact N-O 3.06Å; Y153-R165 PolarHBondContact O-N 3.09Å |
| 166 | C | 95.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 130.4 | 169.4 | -170.5 | 0 | 0 | 0 | 0 | 108.5 | N74 A75 A89 W151 | N74-C166 CarbonylContact C-O 3.17Å; N74-C166 WeakPolarHBondContact CA-O 3.43Å; N74-C166 WeakPolarHBondContact CB-O 3.29Å; A75-C166 PolarHBondContact N-O 3.42Å; A75-C166 PolarHBondContact O-N 2.89Å; A89-C166 HydrophobicContact CB-CB 3.54Å; W151-C166 WeakPolarHBondContact O-CA 3.48Å |
| 167 | H | 95.6 | Very high | 90.9 | Very high | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.009 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 140.5 | 170.5 | -65.9 | -85.5 | 0 | 0 | 0 | 108.3 | Y71 Y131 A150 W151 H155 | Y71-H167 HydrophobicContact CE2-CB 4.4Å; Y71-H167 AromaticContact CE2-ND1 3.97Å; Y71-H167 AromaticContact CZ-ND1 3.99Å; Y71-H167 PolarHBondContact OH-ND1 2.89Å; Y71-H167 VanDerWaalsContact OH-ND1 3.1Å; Y131-H167 AromaticContact CE1-CE1 3.72Å; Y131-H167 AromaticContact CE1-NE2 3.56Å; Y131-H167 AromaticContact CZ-CE1 3.83Å; Y131-H167 PolarHBondContact OH-CE1 2.72Å; Y131-H167 VanDerWaalsContact OH-CE1 3.27Å; Y131-H167 PolarHBondContact OH-ND1 3.2Å; A150-H167 WeakPolarHBondContact CA-O 3.27Å; A150-H167 WeakPolarHBondContact CB-O 2.93Å; W151-H167 HydrophobicContact CD2-CB 3.81Å; W151-H167 AromaticContact CE2-CG 3.93Å; W151-H167 HydrophobicContact CE3-CB 4.18Å; W151-H167 HydrophobicContact CG-CB 4.45Å; W151-H167 HydrophobicContact CH2-CB 3.82Å; W151-H167 HydrophobicContact CZ2-CB 3.4Å; W151-H167 VanDerWaalsContact CZ2-CB 3.4Å; W151-H167 AromaticContact CZ2-CG 3.92Å; W151-H167 HydrophobicContact CZ3-CB 4.18Å; W151-H167 PolarHBondContact N-O 3.38Å; W151-H167 AromaticContact NE1-CD2 3.74Å; W151-H167 AromaticContact NE1-CG 3.94Å; W151-H167 PolarHBondContact O-N 2.96Å; H155-H167 AromaticContact NE2-NE2 3.61Å |
| 168 | A | 95.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.008 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 135.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L72 G73 I93 I148 A150 | L72-A168 PolarHBondContact N-O 3.37Å; L72-A168 VanDerWaalsContact N-O 3.14Å; G73-A168 PolarHBondContact O-N 3.12Å; I93-A168 HydrophobicContact CD1-CB 3.9Å; I93-A168 HydrophobicContact CG2-CB 4.11Å; I148-A168 HydrophobicContact CG2-CB 4.12Å; A150-A168 HydrophobicContact CB-CB 4.44Å |
| 169 | V | 96 | Very high | 91.8 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 144.4 | 174.7 | -61.5 | 0 | 0 | 0 | 0 | 110 | V69 L70 Y71 L108 M117 I148 F149 W151 V171 | V69-V169 HydrophobicContact CB-CB 4.1Å; V69-V169 HydrophobicContact CB-CG2 4.36Å; V69-V169 HydrophobicContact CG1-CG2 4.44Å; V69-V169 HydrophobicContact CG2-CB 4.05Å; V69-V169 HydrophobicContact CG2-CG1 4.04Å; V69-V169 HydrophobicContact CG2-CG2 4.46Å; L70-V169 CarbonylContact O-C 3.59Å; L70-V169 WeakPolarHBondContact O-CA 3.1Å; Y71-V169 HydrophobicContact CD2-CG1 3.89Å; L108-V169 HydrophobicContact CD1-CG1 4.34Å; L108-V169 HydrophobicContact CD1-CG2 4.23Å; M117-V169 HydrophobicContact SD-CG1 4.37Å; I148-V169 WeakPolarHBondContact CA-O 3.18Å; F149-V169 HydrophobicContact CB-CG2 3.83Å; F149-V169 HydrophobicContact CD1-CG2 3.79Å; F149-V169 HydrophobicContact CG-CG2 4.31Å; F149-V169 PolarHBondContact N-O 3.09Å; F149-V169 WeakPolarHBondContact O-CG2 3.41Å; F149-V169 PolarHBondContact O-N 2.78Å; W151-V169 HydrophobicContact CH2-CG1 3.78Å; W151-V169 HydrophobicContact CZ3-CB 4.47Å; W151-V169 HydrophobicContact CZ3-CG1 3.7Å; W151-V169 HydrophobicContact CZ3-CG2 4.06Å; V169-V171 HydrophobicContact CG2-CG2 4.48Å |
| 170 | L | 95.7 | Very high | 92.3 | Very high | 35 Ų | 35 | 42 Ų | 42 | 18% | 0.183 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 130.5 | 173.8 | -179.1 | 71 | 0 | 0 | 0 | 109.7 | L70 L72 W94 K147 I148 | L70-L170 HydrophobicContact CB-CB 4.2Å; L70-L170 HydrophobicContact CD2-CD2 4.06Å; L70-L170 PolarHBondContact N-O 3.4Å; L70-L170 PolarHBondContact O-N 3.18Å; L72-L170 HydrophobicContact CD1-CB 4.15Å; L72-L170 HydrophobicContact CD2-CB 4.03Å; L72-L170 HydrophobicContact CG-CB 4.12Å; W94-L170 HydrophobicContact CZ3-CD1 4.36Å; K147-L170 HydrophobicContact CB-CD1 3.62Å; I148-L170 HydrophobicContact CG1-CD1 4.14Å |
| 171 | V | 95.1 | Very high | 93.1 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.024 | 17% | 0.169 | C | C | . | . | trans | -112.9 | 153.4 | -179.4 | -165.8 | 0 | 0 | 0 | 0 | 109.7 | V69 K147 F149 V169 K176 A177 M180 | V69-V171 HydrophobicContact CG1-CG2 4.05Å; K147-V171 WeakPolarHBondContact CB-O 3.44Å; K147-V171 PolarHBondContact O-N 2.9Å; F149-V171 HydrophobicContact CB-CG2 4.39Å; V169-V171 HydrophobicContact CG2-CG2 4.48Å; V171-K176 HydrophobicContact CG1-CB 3.5Å; V171-K176 VanDerWaalsContact CG1-CB 3.5Å; V171-K176 HydrophobicContact CG1-CD 4.01Å; V171-K176 HydrophobicContact CG1-CG 4.41Å; V171-A177 HydrophobicContact CG2-CB 4.23Å; V171-M180 HydrophobicContact CG1-SD 4.46Å; V171-M180 HydrophobicContact CG2-SD 3.91Å | ||
| 172 | S | 92.2 | Very high | 93.6 | Very high | 64 Ų | 64 | 29.7 Ų | 29.7 | 45% | 0.448 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -65.8 | -38.8 | -179.2 | 50.4 | 0 | 0 | 0 | 0 | 113.7 | ||
| 173 | K | 93.6 | Very high | 93.9 | Very high | 113 Ų | 113 | 27.4 Ų | 27.4 | 49% | 0.491 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -120.4 | 138.4 | -177.3 | -66.7 | -172.4 | 179.9 | -176.7 | 0 | 110.8 | E175 K176 A177 | K173-E175 VanDerWaalsContact C-N 3.27Å; K173-E175 PolarHBondContact O-N 3.42Å; K173-K176 HydrophobicContact CB-CB 4.43Å; K173-K176 HydrophobicContact CB-CD 4.24Å; K173-K176 HydrophobicContact CB-CG 4.09Å; K173-K176 WeakPolarHBondContact O-CB 3.41Å; K173-K176 PolarHBondContact O-N 3.24Å; K173-A177 PolarHBondContact O-N 3.44Å |
| 174 | P | 93.3 | Very high | 94 | Very high | 35 Ų | 35 | 25.3 Ų | 25.3 | 23% | 0.227 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.7 | -29.6 | 178 | 28.4 | -34.8 | 0 | 0 | 0 | 112.9 | P146 K176 A177 K178 | P146-P174 HydrophobicContact CB-CB 3.74Å; P146-P174 HydrophobicContact CG-CB 4.38Å; P146-P174 WeakPolarHBondContact O-CA 3.26Å; P146-P174 WeakPolarHBondContact O-CB 3.47Å; P174-K176 PolarHBondContact O-N 2.92Å; P174-A177 PolarHBondContact O-N 2.74Å; P174-K178 PolarHBondContact O-N 2.92Å; P174-K178 VanDerWaalsContact O-N 3.11Å |
| 175 | E | 93.1 | Very high | 94 | Very high | 39 Ų | 39 | 27.6 Ų | 27.6 | 18% | 0.182 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.6 | -33.5 | 175.3 | -59.2 | 74.1 | -160.2 | 0 | 0 | 111.3 | K173 A179 R308 L312 | K173-E175 VanDerWaalsContact C-N 3.27Å; K173-E175 PolarHBondContact O-N 3.42Å; E175-A179 VanDerWaalsContact O-CB 3.29Å; E175-A179 WeakPolarHBondContact O-CB 3.4Å; E175-A179 PolarHBondContact O-N 3.42Å; E175-R308 HydrophobicContact CB-CB 4.45Å; E175-R308 HydrophobicContact CG-CB 3.92Å; E175-R308 IonicContact OE1-CZ 3.71Å; E175-R308 IonicContact OE1-NH1 3.02Å; E175-R308 PolarHBondContact OE1-NH1 3.11Å; E175-L312 HydrophobicContact CB-CD1 3.84Å |
| 176 | K | 92.7 | Very high | 93.9 | Very high | 54 Ų | 54 | 27.4 Ų | 27.4 | 24% | 0.235 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.9 | -41.7 | 175.8 | -71.3 | -178.9 | 175.9 | -176.2 | 0 | 111.4 | V171 K173 P174 K178 A179 M180 L312 | V171-K176 HydrophobicContact CG1-CB 3.5Å; V171-K176 VanDerWaalsContact CG1-CB 3.5Å; V171-K176 HydrophobicContact CG1-CD 4.01Å; V171-K176 HydrophobicContact CG1-CG 4.41Å; K173-K176 HydrophobicContact CB-CB 4.43Å; K173-K176 HydrophobicContact CB-CD 4.24Å; K173-K176 HydrophobicContact CB-CG 4.09Å; K173-K176 WeakPolarHBondContact O-CB 3.41Å; K173-K176 PolarHBondContact O-N 3.24Å; P174-K176 PolarHBondContact O-N 2.92Å; K176-K178 VanDerWaalsContact C-N 3.34Å; K176-K178 PolarHBondContact O-N 3.43Å; K176-A179 PolarHBondContact O-N 3.26Å; K176-M180 WeakPolarHBondContact O-CB 3.41Å; K176-M180 WeakPolarHBondContact O-CG 3.22Å; K176-M180 PolarHBondContact O-N 3.35Å; K176-L312 HydrophobicContact CG-CD1 3.99Å |
| 177 | A | 94.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.7 | -44.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A141 F149 V171 K173 P174 M180 A181 | A141-A177 HydrophobicContact CB-CB 4.32Å; F149-A177 HydrophobicContact CB-CB 4.16Å; V171-A177 HydrophobicContact CG2-CB 4.23Å; K173-A177 PolarHBondContact O-N 3.44Å; P174-A177 PolarHBondContact O-N 2.74Å; A177-M180 PolarHBondContact O-N 2.72Å; A177-A181 PolarHBondContact O-N 3.43Å |
| 178 | K | 94 | Very high | 93.5 | Very high | 65 Ų | 65 | 29.3 Ų | 29.3 | 28% | 0.283 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -61.2 | -44.8 | 173.5 | -73.5 | -174.7 | -177.8 | -174.5 | 0 | 112.8 | A141 P174 K176 A181 L182 L303 V309 | A141-K178 HydrophobicContact CB-CG 4.1Å; P174-K178 PolarHBondContact O-N 2.92Å; P174-K178 VanDerWaalsContact O-N 3.11Å; K176-K178 VanDerWaalsContact C-N 3.34Å; K176-K178 PolarHBondContact O-N 3.43Å; K178-A181 PolarHBondContact O-N 3.08Å; K178-L182 WeakPolarHBondContact O-CB 3.49Å; K178-L182 PolarHBondContact O-N 3Å; K178-L303 HydrophobicContact CB-CD2 3.67Å; K178-L303 HydrophobicContact CD-CD2 3.89Å; K178-L303 HydrophobicContact CG-CD2 3.84Å; K178-V309 HydrophobicContact CB-CG2 3.79Å; K178-V309 HydrophobicContact CD-CG2 4.5Å |
| 179 | A | 93.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.5 | -41.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E175 K176 L182 L183 V309 L312 L313 | E175-A179 VanDerWaalsContact O-CB 3.29Å; E175-A179 WeakPolarHBondContact O-CB 3.4Å; E175-A179 PolarHBondContact O-N 3.42Å; K176-A179 PolarHBondContact O-N 3.26Å; A179-L182 PolarHBondContact O-N 3.15Å; A179-L183 WeakPolarHBondContact O-CB 3.45Å; A179-L183 PolarHBondContact O-N 3.39Å; A179-V309 HydrophobicContact CB-CG1 3.9Å; A179-L312 HydrophobicContact CB-CB 4.35Å; A179-L312 HydrophobicContact CB-CD1 4.4Å; A179-L313 HydrophobicContact CB-CD2 4.07Å; A179-L313 HydrophobicContact CB-CG 4.31Å |
| 180 | M | 94.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.4 | -43.2 | 176.4 | -71.2 | 168.2 | 72.7 | 0 | 0 | 112 | Y67 V69 L108 I110 F149 V171 K176 A177 L183 L184 | Y67-M180 HydrophobicContact CD1-CG 4.16Å; Y67-M180 HydrophobicContact CD1-SD 4.2Å; Y67-M180 HydrophobicContact CD2-CE 4.17Å; Y67-M180 HydrophobicContact CD2-CG 3.77Å; Y67-M180 HydrophobicContact CD2-SD 4.1Å; Y67-M180 HydrophobicContact CE1-CG 4.14Å; Y67-M180 HydrophobicContact CE2-CG 3.74Å; Y67-M180 HydrophobicContact CG-CE 4.29Å; Y67-M180 HydrophobicContact CG-CG 3.98Å; Y67-M180 HydrophobicContact CG-SD 3.86Å; V69-M180 HydrophobicContact CG1-CE 4.05Å; V69-M180 HydrophobicContact CG1-SD 4.43Å; L108-M180 HydrophobicContact CB-CE 4.43Å; L108-M180 HydrophobicContact CD1-CE 3.72Å; L108-M180 HydrophobicContact CD2-CE 3.71Å; L108-M180 HydrophobicContact CG-CE 4.15Å; I110-M180 HydrophobicContact CD1-CB 3.96Å; I110-M180 HydrophobicContact CD1-CG 4.18Å; F149-M180 HydrophobicContact CD1-CB 4.37Å; F149-M180 HydrophobicContact CD1-CE 3.83Å; F149-M180 HydrophobicContact CD2-CB 4.4Å; F149-M180 HydrophobicContact CE1-CB 4.45Å; F149-M180 HydrophobicContact CE1-CE 4.27Å; F149-M180 HydrophobicContact CG-CB 4.34Å; F149-M180 HydrophobicContact CG-CE 4.5Å; V171-M180 HydrophobicContact CG1-SD 4.46Å; V171-M180 HydrophobicContact CG2-SD 3.91Å; K176-M180 WeakPolarHBondContact O-CB 3.41Å; K176-M180 WeakPolarHBondContact O-CG 3.22Å; K176-M180 PolarHBondContact O-N 3.35Å; A177-M180 PolarHBondContact O-N 2.72Å; M180-L183 PolarHBondContact O-N 3.02Å; M180-L184 WeakPolarHBondContact O-CB 3.3Å; M180-L184 PolarHBondContact O-N 3.44Å |
| 181 | A | 94.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.5 | -48.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A141 F149 A177 K178 L183 L184 Y185 I296 | A141-A181 HydrophobicContact CB-CB 4.3Å; F149-A181 HydrophobicContact CD2-CB 3.97Å; F149-A181 VanDerWaalsContact CE2-CA 3.45Å; F149-A181 HydrophobicContact CE2-CB 3.64Å; A177-A181 PolarHBondContact O-N 3.43Å; K178-A181 PolarHBondContact O-N 3.08Å; A181-L183 VanDerWaalsContact C-N 3.35Å; A181-L183 PolarHBondContact O-N 3.37Å; A181-L184 PolarHBondContact O-N 3.37Å; A181-Y185 WeakPolarHBondContact O-CB 3.15Å; A181-Y185 PolarHBondContact O-N 2.86Å; A181-I296 HydrophobicContact CB-CD1 4.41Å |
| 182 | L | 93.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.6 | -44.1 | 178.1 | -178.2 | 61.1 | 0 | 0 | 0 | 111.7 | K178 A179 Y185 Q186 V300 L303 K304 V309 L313 | K178-L182 WeakPolarHBondContact O-CB 3.49Å; K178-L182 PolarHBondContact O-N 3Å; A179-L182 PolarHBondContact O-N 3.15Å; L182-Y185 PolarHBondContact O-N 3.36Å; L182-Q186 HydrophobicContact CD1-CG 4.28Å; L182-Q186 HydrophobicContact CG-CG 4.4Å; L182-Q186 WeakPolarHBondContact O-CB 3.34Å; L182-Q186 VanDerWaalsContact O-CG 3.29Å; L182-Q186 WeakPolarHBondContact O-CG 3.44Å; L182-Q186 PolarHBondContact O-N 3.08Å; L182-V300 HydrophobicContact CD1-CG1 4.26Å; L182-L303 HydrophobicContact CB-CB 4.39Å; L182-L303 HydrophobicContact CB-CD1 4.27Å; L182-L303 HydrophobicContact CD1-CB 4.17Å; L182-L303 HydrophobicContact CD2-CB 4.15Å; L182-L303 HydrophobicContact CG-CB 4.47Å; L182-K304 HydrophobicContact CD1-CG 4.01Å; L182-K304 HydrophobicContact CD2-CG 4.13Å; L182-V309 HydrophobicContact CD2-CG1 3.91Å; L182-L313 HydrophobicContact CD2-CD1 3.88Å; L182-L313 HydrophobicContact CG-CD1 4.33Å |
| 183 | L | 92.9 | Very high | 92 | Very high | 25 Ų | 25 | 36.5 Ų | 36.5 | 13% | 0.131 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.5 | -47.9 | -179.9 | 176.9 | 65 | 0 | 0 | 0 | 111.5 | P65 Y67 I110 A179 M180 A181 Y185 Q186 T187 L313 | P65-L183 HydrophobicContact CB-CD2 4.25Å; P65-L183 HydrophobicContact CG-CD2 3.23Å; P65-L183 HydrophobicContact CG-CG 4.5Å; Y67-L183 HydrophobicContact CE2-CD2 4.35Å; I110-L183 HydrophobicContact CB-CD2 3.93Å; I110-L183 HydrophobicContact CB-CG 4.46Å; I110-L183 HydrophobicContact CD1-CD2 3.94Å; I110-L183 HydrophobicContact CD1-CG 4.43Å; I110-L183 HydrophobicContact CG1-CD2 4.5Å; I110-L183 HydrophobicContact CG2-CD2 4.06Å; I110-L183 HydrophobicContact CG2-CG 4.04Å; A179-L183 WeakPolarHBondContact O-CB 3.45Å; A179-L183 PolarHBondContact O-N 3.39Å; M180-L183 PolarHBondContact O-N 3.02Å; A181-L183 VanDerWaalsContact C-N 3.35Å; A181-L183 PolarHBondContact O-N 3.37Å; L183-Y185 VanDerWaalsContact C-N 3.26Å; L183-Y185 PolarHBondContact O-N 3.38Å; L183-Q186 PolarHBondContact O-N 3.03Å; L183-T187 WeakPolarHBondContact O-CB 3.37Å; L183-T187 PolarHBondContact O-N 3.42Å; L183-T187 PolarHBondContact O-OG1 2.77Å; L183-L313 HydrophobicContact CB-CD2 3.84Å; L183-L313 HydrophobicContact CD1-CD2 4.33Å; L183-L313 HydrophobicContact CD2-CD2 4.35Å; L183-L313 HydrophobicContact CG-CD2 4.39Å |
| 184 | L | 93.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.2 | -43.3 | 178.2 | -176.4 | 64.9 | 0 | 0 | 0 | 110.6 | I110 I115 L133 I136 C139 F149 M180 A181 T187 S188 M294 | I110-L184 HydrophobicContact CD1-CB 4.44Å; I110-L184 HydrophobicContact CG2-CB 4.4Å; I110-L184 HydrophobicContact CG2-CD1 4Å; I115-L184 HydrophobicContact CD1-CD1 4.26Å; I115-L184 HydrophobicContact CD1-CD2 3.78Å; I115-L184 HydrophobicContact CG1-CD1 3.87Å; I115-L184 HydrophobicContact CG1-CD2 4.31Å; L133-L184 HydrophobicContact CD1-CD1 3.77Å; I136-L184 HydrophobicContact CD1-CD1 4.45Å; C139-L184 HydrophobicContact CB-CD2 3.83Å; F149-L184 HydrophobicContact CZ-CD2 3.92Å; M180-L184 WeakPolarHBondContact O-CB 3.3Å; M180-L184 PolarHBondContact O-N 3.44Å; A181-L184 PolarHBondContact O-N 3.37Å; L184-T187 PolarHBondContact O-N 3.12Å; L184-S188 WeakPolarHBondContact O-CB 3.38Å; L184-S188 PolarHBondContact O-N 2.94Å; L184-S188 PolarHBondContact O-OG 3.22Å; L184-M294 HydrophobicContact CB-CE 4.39Å; L184-M294 HydrophobicContact CD2-CE 4.28Å; L184-M294 HydrophobicContact CD2-SD 4.26Å; L184-M294 HydrophobicContact CG-CE 3.74Å; L184-M294 HydrophobicContact CG-SD 4.19Å; L184-M294 WeakPolarHBondContact O-CE 3.39Å |
| 185 | Y | 92.6 | Very high | 91.4 | Very high | 68 Ų | 68 | 39.6 Ų | 39.6 | 27% | 0.267 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.2 | -49.8 | 174.9 | 178.7 | -103.2 | 0 | 0 | 0 | 112.6 | A181 L182 L183 T187 S188 A189 M294 I296 V300 | A181-Y185 WeakPolarHBondContact O-CB 3.15Å; A181-Y185 PolarHBondContact O-N 2.86Å; L182-Y185 PolarHBondContact O-N 3.36Å; L183-Y185 VanDerWaalsContact C-N 3.26Å; L183-Y185 PolarHBondContact O-N 3.38Å; Y185-T187 VanDerWaalsContact C-N 3.34Å; Y185-T187 PolarHBondContact O-N 2.85Å; Y185-S188 PolarHBondContact O-N 3.14Å; Y185-S188 PolarHBondContact O-OG 2.99Å; Y185-A189 WeakPolarHBondContact O-CB 3.48Å; Y185-A189 PolarHBondContact O-N 3.24Å; Y185-M294 VanDerWaalsContact CA-CE 3.43Å; Y185-I296 HydrophobicContact CD1-CG2 4.42Å; Y185-I296 HydrophobicContact CD2-CB 3.84Å; Y185-I296 HydrophobicContact CD2-CG2 3.69Å; Y185-I296 HydrophobicContact CE1-CG2 4.48Å; Y185-I296 HydrophobicContact CE2-CB 4.35Å; Y185-I296 HydrophobicContact CE2-CG2 3.76Å; Y185-I296 HydrophobicContact CG-CB 4.18Å; Y185-I296 HydrophobicContact CG-CD1 4.14Å; Y185-I296 HydrophobicContact CG-CG2 4.04Å; Y185-V300 HydrophobicContact CD1-CG1 4.3Å; Y185-V300 HydrophobicContact CD1-CG2 4.12Å; Y185-V300 HydrophobicContact CE1-CG1 3.94Å; Y185-V300 HydrophobicContact CE1-CG2 3.74Å |
| 186 | Q | 91.7 | Very high | 91 | Very high | 69 Ų | 69 | 40.6 Ų | 40.6 | 32% | 0.322 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.7 | -43.8 | 176.7 | -74 | 176.6 | -6.8 | 0 | 0 | 112.3 | L182 L183 A189 T190 | L182-Q186 HydrophobicContact CD1-CG 4.28Å; L182-Q186 HydrophobicContact CG-CG 4.4Å; L182-Q186 WeakPolarHBondContact O-CB 3.34Å; L182-Q186 VanDerWaalsContact O-CG 3.29Å; L182-Q186 WeakPolarHBondContact O-CG 3.44Å; L182-Q186 PolarHBondContact O-N 3.08Å; L183-Q186 PolarHBondContact O-N 3.03Å; Q186-A189 PolarHBondContact O-N 3.3Å; Q186-T190 WeakPolarHBondContact O-CB 3.41Å; Q186-T190 PolarHBondContact O-N 3.36Å; Q186-T190 PolarHBondContact O-OG1 2.93Å |
| 187 | T | 91.8 | Very high | 90.6 | Very high | 29 Ų | 29 | 43.3 Ų | 43.3 | 18% | 0.178 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.5 | -42.6 | 177.6 | -61.8 | 0 | 0 | 0 | 0 | 111.1 | S111 L133 L183 L184 Y185 T190 A191 | S111-T187 WeakPolarHBondContact O-CG2 3.5Å; L133-T187 HydrophobicContact CD2-CG2 4.23Å; L183-T187 WeakPolarHBondContact O-CB 3.37Å; L183-T187 PolarHBondContact O-N 3.42Å; L183-T187 PolarHBondContact O-OG1 2.77Å; L184-T187 PolarHBondContact O-N 3.12Å; Y185-T187 VanDerWaalsContact C-N 3.34Å; Y185-T187 PolarHBondContact O-N 2.85Å; T187-T190 PolarHBondContact O-N 3.08Å; T187-A191 VanDerWaalsContact O-CB 3.26Å; T187-A191 WeakPolarHBondContact O-CB 3.41Å; T187-A191 PolarHBondContact O-N 3.22Å |
| 188 | S | 91.1 | Very high | 90.1 | Very high | 13 Ų | 13 | 48.1 Ų | 48.1 | 9% | 0.091 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.8 | -45.9 | 176 | 74.3 | 0 | 0 | 0 | 0 | 113 | L184 Y185 T190 A191 L192 M294 | L184-S188 WeakPolarHBondContact O-CB 3.38Å; L184-S188 PolarHBondContact O-N 2.94Å; L184-S188 PolarHBondContact O-OG 3.22Å; Y185-S188 PolarHBondContact O-N 3.14Å; Y185-S188 PolarHBondContact O-OG 2.99Å; S188-T190 VanDerWaalsContact C-N 3.31Å; S188-T190 PolarHBondContact O-N 3.14Å; S188-A191 PolarHBondContact O-N 3.49Å; S188-L192 VanDerWaalsContact O-CB 3.29Å; S188-L192 WeakPolarHBondContact O-CB 3.46Å; S188-L192 PolarHBondContact O-N 3Å; S188-M294 WeakPolarHBondContact OG-CE 3.37Å |
| 189 | A | 89.4 | Confident | 89.5 | Confident | 46 Ų | 46 | 50.3 Ų | 50.3 | 38% | 0.38 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.6 | -41 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y185 Q186 S193 | Y185-A189 WeakPolarHBondContact O-CB 3.48Å; Y185-A189 PolarHBondContact O-N 3.24Å; Q186-A189 PolarHBondContact O-N 3.3Å; A189-S193 WeakPolarHBondContact O-CB 3.35Å; A189-S193 PolarHBondContact O-N 3.06Å; A189-S193 PolarHBondContact O-OG 3.46Å |
| 190 | T | 89.8 | Confident | 88.9 | Confident | 84 Ų | 84 | 57.4 Ų | 57.4 | 52% | 0.515 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.8 | -50.3 | 176.4 | -55.4 | 0 | 0 | 0 | 0 | 111 | Q186 T187 S188 L192 S193 E194 | Q186-T190 WeakPolarHBondContact O-CB 3.41Å; Q186-T190 PolarHBondContact O-N 3.36Å; Q186-T190 PolarHBondContact O-OG1 2.93Å; T187-T190 PolarHBondContact O-N 3.08Å; S188-T190 VanDerWaalsContact C-N 3.31Å; S188-T190 PolarHBondContact O-N 3.14Å; T190-L192 VanDerWaalsContact C-N 3.31Å; T190-L192 PolarHBondContact O-N 3.32Å; T190-S193 PolarHBondContact O-N 3.02Å; T190-S193 PolarHBondContact O-OG 3.28Å; T190-E194 PolarHBondContact O-N 3.48Å |
| 191 | A | 89.1 | Confident | 88.1 | Confident | 34 Ų | 34 | 65.1 Ų | 65.1 | 28% | 0.281 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.5 | -41.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | L133 T187 S188 E194 F195 | L133-A191 HydrophobicContact CD2-CB 3.75Å; T187-A191 VanDerWaalsContact O-CB 3.26Å; T187-A191 WeakPolarHBondContact O-CB 3.41Å; T187-A191 PolarHBondContact O-N 3.22Å; S188-A191 PolarHBondContact O-N 3.49Å; A191-E194 PolarHBondContact O-N 2.96Å; A191-F195 WeakPolarHBondContact O-CB 3.29Å; A191-F195 PolarHBondContact O-N 3.3Å |
| 192 | L | 86.9 | Confident | 87.2 | Confident | 33 Ų | 33 | 67.7 Ų | 67.7 | 17% | 0.173 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.4 | -41.2 | 176.1 | -176.8 | 64.5 | 0 | 0 | 0 | 111.8 | S188 T190 E194 F195 K196 E293 | S188-L192 VanDerWaalsContact O-CB 3.29Å; S188-L192 WeakPolarHBondContact O-CB 3.46Å; S188-L192 PolarHBondContact O-N 3Å; T190-L192 VanDerWaalsContact C-N 3.31Å; T190-L192 PolarHBondContact O-N 3.32Å; L192-E194 VanDerWaalsContact C-N 3.31Å; L192-E194 PolarHBondContact O-N 3.41Å; L192-F195 PolarHBondContact O-N 3.04Å; L192-K196 HydrophobicContact CD1-CG 4.43Å; L192-K196 HydrophobicContact CG-CD 4.26Å; L192-K196 HydrophobicContact CG-CG 4.47Å; L192-K196 WeakPolarHBondContact O-CB 3.43Å; L192-K196 WeakPolarHBondContact O-CG 3.31Å; L192-K196 PolarHBondContact O-N 3.38Å; L192-E293 HydrophobicContact CD2-CB 4.38Å; L192-E293 HydrophobicContact CD2-CG 3.35Å |
| 193 | S | 87.5 | Confident | 86.6 | Confident | 58 Ų | 58 | 70.7 Ų | 70.7 | 41% | 0.406 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63 | -39.1 | 176.7 | 75.6 | 0 | 0 | 0 | 0 | 112 | A189 T190 R197 | A189-S193 WeakPolarHBondContact O-CB 3.35Å; A189-S193 PolarHBondContact O-N 3.06Å; A189-S193 PolarHBondContact O-OG 3.46Å; T190-S193 PolarHBondContact O-N 3.02Å; T190-S193 PolarHBondContact O-OG 3.28Å; S193-R197 VanDerWaalsContact O-CB 3.28Å; S193-R197 WeakPolarHBondContact O-CB 3.42Å; S193-R197 PolarHBondContact O-N 2.86Å |
| 194 | E | 87.3 | Confident | 85.8 | Confident | 88 Ų | 88 | 71.9 Ų | 71.9 | 41% | 0.411 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.3 | -41.7 | 175.5 | -77.3 | -63.8 | 115.5 | 0 | 0 | 111.7 | T190 A191 L192 R197 L198 | T190-E194 PolarHBondContact O-N 3.48Å; A191-E194 PolarHBondContact O-N 2.96Å; L192-E194 VanDerWaalsContact C-N 3.31Å; L192-E194 PolarHBondContact O-N 3.41Å; E194-R197 WeakPolarHBondContact O-CB 3.39Å; E194-R197 PolarHBondContact O-N 3.37Å; E194-R197 IonicContact OE1-CZ 3.45Å; E194-R197 IonicContact OE1-NE 2.92Å; E194-R197 PolarHBondContact OE1-NE 2.93Å; E194-R197 IonicContact OE1-NH2 3.7Å; E194-R197 IonicContact OE2-CZ 2.98Å; E194-R197 IonicContact OE2-NE 3.52Å; E194-R197 PolarHBondContact OE2-NE 3.46Å; E194-R197 IonicContact OE2-NH2 3.05Å; E194-R197 PolarHBondContact OE2-NH2 3.45Å; E194-L198 WeakPolarHBondContact O-CB 3.37Å; E194-L198 PolarHBondContact O-N 2.83Å |
| 195 | F | 86.1 | Confident | 84.9 | Confident | 125 Ų | 125 | 75.8 Ų | 75.8 | 55% | 0.548 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.8 | -50 | 173.1 | 177.2 | -101.5 | 0 | 0 | 0 | 111.6 | A191 L192 R197 L198 K199 | A191-F195 WeakPolarHBondContact O-CB 3.29Å; A191-F195 PolarHBondContact O-N 3.3Å; L192-F195 PolarHBondContact O-N 3.04Å; F195-R197 VanDerWaalsContact C-N 3.26Å; F195-R197 PolarHBondContact O-N 3.04Å; F195-L198 PolarHBondContact O-N 2.86Å; F195-L198 VanDerWaalsContact O-N 3.15Å; F195-K199 HydrophobicContact CZ-CD 4.29Å; F195-K199 WeakPolarHBondContact O-CB 3.49Å; F195-K199 PolarHBondContact O-N 3.42Å |
| 196 | K | 84.5 | Confident | 84 | Confident | 61 Ų | 61 | 76.2 Ų | 76.2 | 27% | 0.265 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.9 | -38.2 | 175.8 | -71.9 | 178.8 | 178.9 | 179.8 | 0 | 111.1 | L192 R200 E293 | L192-K196 HydrophobicContact CD1-CG 4.43Å; L192-K196 HydrophobicContact CG-CD 4.26Å; L192-K196 HydrophobicContact CG-CG 4.47Å; L192-K196 WeakPolarHBondContact O-CB 3.43Å; L192-K196 WeakPolarHBondContact O-CG 3.31Å; L192-K196 PolarHBondContact O-N 3.38Å; K196-R200 WeakPolarHBondContact O-CB 3.5Å; K196-R200 WeakPolarHBondContact O-CG 3.24Å; K196-R200 PolarHBondContact O-N 2.91Å; K196-R200 VanDerWaalsContact O-N 3.1Å; K196-R200 PolarHBondContact O-NE 2.84Å; K196-E293 IonicContact NZ-OE1 2.97Å; K196-E293 PolarHBondContact NZ-OE1 3.08Å |
| 197 | R | 84.3 | Confident | 83.2 | Confident | 110 Ų | 110 | 78.7 Ų | 78.7 | 42% | 0.415 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.5 | -42.1 | 176 | -173.6 | -174.6 | 68.5 | 70.5 | 2 | 112.2 | S193 E194 F195 R201 | S193-R197 VanDerWaalsContact O-CB 3.28Å; S193-R197 WeakPolarHBondContact O-CB 3.42Å; S193-R197 PolarHBondContact O-N 2.86Å; E194-R197 WeakPolarHBondContact O-CB 3.39Å; E194-R197 PolarHBondContact O-N 3.37Å; E194-R197 IonicContact OE1-CZ 3.45Å; E194-R197 IonicContact OE1-NE 2.92Å; E194-R197 PolarHBondContact OE1-NE 2.93Å; E194-R197 IonicContact OE1-NH2 3.7Å; E194-R197 IonicContact OE2-CZ 2.98Å; E194-R197 IonicContact OE2-NE 3.52Å; E194-R197 PolarHBondContact OE2-NE 3.46Å; E194-R197 IonicContact OE2-NH2 3.05Å; E194-R197 PolarHBondContact OE2-NH2 3.45Å; F195-R197 VanDerWaalsContact C-N 3.26Å; F195-R197 PolarHBondContact O-N 3.04Å; R197-R201 PolarHBondContact O-N 3.37Å |
| 198 | L | 84 | Confident | 82.2 | Confident | 101 Ų | 101 | 81.8 Ų | 81.8 | 53% | 0.529 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -69.5 | -45.6 | 179.3 | -170.7 | 63.3 | 0 | 0 | 0 | 111.2 | E194 F195 R200 R201 D202 | E194-L198 WeakPolarHBondContact O-CB 3.37Å; E194-L198 PolarHBondContact O-N 2.83Å; F195-L198 PolarHBondContact O-N 2.86Å; F195-L198 VanDerWaalsContact O-N 3.15Å; L198-R200 PolarHBondContact O-N 2.97Å; L198-R201 WeakPolarHBondContact O-CB 3.47Å; L198-R201 PolarHBondContact O-N 3.41Å; L198-R201 VanDerWaalsContact O-N 3.13Å; L198-D202 PolarHBondContact O-N 3.25Å |
| 199 | K | 82.6 | Confident | 81.1 | Confident | 111 Ų | 111 | 82.5 Ų | 82.5 | 48% | 0.483 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -56 | -50.7 | 175.7 | -164.9 | 87.3 | -175.8 | 178.7 | 0 | 111.1 | F195 R201 D202 D203 | F195-K199 HydrophobicContact CZ-CD 4.29Å; F195-K199 WeakPolarHBondContact O-CB 3.49Å; F195-K199 PolarHBondContact O-N 3.42Å; K199-R201 VanDerWaalsContact C-N 3.27Å; K199-R201 PolarHBondContact O-N 2.98Å; K199-D202 WeakPolarHBondContact O-CA 3.46Å; K199-D202 WeakPolarHBondContact O-CB 3.48Å; K199-D202 PolarHBondContact O-N 3.45Å; K199-D203 PolarHBondContact O-N 3.02Å |
| 200 | R | 79.8 | Confident | 80.2 | Confident | 150 Ų | 150 | 88.2 Ų | 88.2 | 57% | 0.566 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -56.8 | -36.4 | 176 | -79.5 | -174.4 | -105.7 | 105.5 | -3.4 | 114 | K196 L198 D202 A204 | K196-R200 WeakPolarHBondContact O-CB 3.5Å; K196-R200 WeakPolarHBondContact O-CG 3.24Å; K196-R200 PolarHBondContact O-N 2.91Å; K196-R200 VanDerWaalsContact O-N 3.1Å; K196-R200 PolarHBondContact O-NE 2.84Å; L198-R200 PolarHBondContact O-N 2.97Å; R200-D202 VanDerWaalsContact C-N 3.35Å; R200-A204 VanDerWaalsContact O-CB 3.27Å; R200-A204 WeakPolarHBondContact O-CB 3.49Å; R200-A204 PolarHBondContact O-N 2.88Å |
| 201 | R | 77.4 | Confident | 79.4 | Confident | 161 Ų | 161 | 91.5 Ų | 91.5 | 61% | 0.608 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -71.3 | -35 | 177.1 | -179.1 | 177.8 | 178.1 | 144.7 | 0.9 | 111.4 | R197 L198 K199 R205 | R197-R201 PolarHBondContact O-N 3.37Å; L198-R201 WeakPolarHBondContact O-CB 3.47Å; L198-R201 PolarHBondContact O-N 3.41Å; L198-R201 VanDerWaalsContact O-N 3.13Å; K199-R201 VanDerWaalsContact C-N 3.27Å; K199-R201 PolarHBondContact O-N 2.98Å; R201-R205 WeakPolarHBondContact O-CG 3.37Å; R201-R205 PolarHBondContact O-N 3.07Å |
| 202 | D | 75.1 | Confident | 78.3 | Confident | 54 Ų | 54 | 94.6 Ų | 94.6 | 29% | 0.289 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -69.8 | -49.8 | 177.2 | -152.8 | 48.9 | 0 | 0 | 0 | 111.2 | L198 K199 R200 A204 R205 H206 | L198-D202 PolarHBondContact O-N 3.25Å; K199-D202 WeakPolarHBondContact O-CA 3.46Å; K199-D202 WeakPolarHBondContact O-CB 3.48Å; K199-D202 PolarHBondContact O-N 3.45Å; R200-D202 VanDerWaalsContact C-N 3.35Å; D202-A204 VanDerWaalsContact C-N 3.29Å; D202-A204 PolarHBondContact O-N 3.38Å; D202-R205 WeakPolarHBondContact O-CA 3.48Å; D202-R205 WeakPolarHBondContact O-CB 3.47Å; D202-R205 PolarHBondContact O-N 3.08Å; D202-R205 IonicContact OD1-CZ 3.61Å; D202-R205 IonicContact OD1-NE 3.14Å; D202-R205 IonicContact OD1-NH2 2.81Å; D202-R205 PolarHBondContact OD1-NH2 2.63Å; D202-H206 PolarHBondContact O-N 2.92Å |
| 203 | D | 81.2 | Confident | 77.2 | Confident | 65 Ų | 65 | 94.6 Ų | 94.6 | 35% | 0.348 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -57.2 | -43.1 | 175.9 | -57.5 | -24.9 | 0 | 0 | 0 | 111.1 | K199 R205 H206 Q207 | K199-D203 PolarHBondContact O-N 3.02Å; D203-R205 VanDerWaalsContact C-N 3.32Å; D203-R205 PolarHBondContact O-N 3.29Å; D203-H206 PolarHBondContact O-N 2.88Å; D203-Q207 WeakPolarHBondContact O-CB 3.16Å; D203-Q207 VanDerWaalsContact O-CG 3.3Å; D203-Q207 WeakPolarHBondContact O-CG 3.29Å; D203-Q207 PolarHBondContact O-N 3.15Å |
| 204 | A | 76.2 | Confident | 75.8 | Confident | 50 Ų | 50 | 100.1 Ų | 100.1 | 41% | 0.413 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.2 | -35.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R200 D202 Q208 | R200-A204 VanDerWaalsContact O-CB 3.27Å; R200-A204 WeakPolarHBondContact O-CB 3.49Å; R200-A204 PolarHBondContact O-N 2.88Å; D202-A204 VanDerWaalsContact C-N 3.29Å; D202-A204 PolarHBondContact O-N 3.38Å; A204-Q208 WeakPolarHBondContact O-CB 3.19Å; A204-Q208 PolarHBondContact O-N 3.1Å |
| 205 | R | 75.2 | Confident | 74.5 | Confident | 81 Ų | 81 | 105 Ų | 105 | 31% | 0.306 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68 | -44.4 | 174.7 | -76.1 | -174.2 | -66.1 | 170 | 3.5 | 111.1 | R201 D202 D203 Q208 Q209 L219 | R201-R205 WeakPolarHBondContact O-CG 3.37Å; R201-R205 PolarHBondContact O-N 3.07Å; D202-R205 WeakPolarHBondContact O-CA 3.48Å; D202-R205 WeakPolarHBondContact O-CB 3.47Å; D202-R205 PolarHBondContact O-N 3.08Å; D202-R205 IonicContact OD1-CZ 3.61Å; D202-R205 IonicContact OD1-NE 3.14Å; D202-R205 IonicContact OD1-NH2 2.81Å; D202-R205 PolarHBondContact OD1-NH2 2.63Å; D203-R205 VanDerWaalsContact C-N 3.32Å; D203-R205 PolarHBondContact O-N 3.29Å; R205-Q208 PolarHBondContact O-N 2.95Å; R205-Q209 PolarHBondContact O-N 3.02Å; R205-L219 PolarHBondContact NH1-O 2.87Å; R205-L219 VanDerWaalsContact NH1-O 3.15Å |
| 206 | H | 72.9 | Confident | 73.2 | Confident | 78 Ų | 78 | 103 Ų | 103 | 36% | 0.361 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 177.4 | -74.5 | -158.4 | 0 | 0 | 0 | 111.3 | D202 D203 Q208 Q209 Q210 L219 | D202-H206 PolarHBondContact O-N 2.92Å; D203-H206 PolarHBondContact O-N 2.88Å; H206-Q208 VanDerWaalsContact C-N 3.35Å; H206-Q208 PolarHBondContact O-N 3.49Å; H206-Q209 WeakPolarHBondContact O-CB 3.33Å; H206-Q209 PolarHBondContact O-N 2.84Å; H206-Q210 WeakPolarHBondContact O-CG 3.41Å; H206-Q210 PolarHBondContact O-N 2.92Å; H206-L219 VanDerWaalsContact CD2-CD2 3.44Å; H206-L219 WeakPolarHBondContact CD2-CD2 3.35Å |
| 207 | Q | 75.1 | Confident | 72 | Confident | 120 Ų | 120 | 101.4 Ų | 101.4 | 56% | 0.561 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.6 | -41.7 | 174.9 | -73.3 | 174.7 | 3.5 | 0 | 0 | 112.2 | D203 Q209 Q210 L211 | D203-Q207 WeakPolarHBondContact O-CB 3.16Å; D203-Q207 VanDerWaalsContact O-CG 3.3Å; D203-Q207 WeakPolarHBondContact O-CG 3.29Å; D203-Q207 PolarHBondContact O-N 3.15Å; Q207-Q209 VanDerWaalsContact C-N 3.3Å; Q207-Q209 PolarHBondContact O-N 2.94Å; Q207-Q210 PolarHBondContact O-N 3.46Å; Q207-L211 WeakPolarHBondContact O-CG 3.44Å; Q207-L211 PolarHBondContact O-N 3.21Å; Q207-L211 VanDerWaalsContact O-N 3.1Å |
| 208 | Q | 70.3 | Confident | 70.8 | Confident | 94 Ų | 94 | 98.9 Ų | 98.9 | 44% | 0.439 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.5 | -34.7 | 178.6 | -155.8 | -171.1 | -48.5 | 0 | 0 | 111.8 | A204 R205 H206 L211 I212 I217 | A204-Q208 WeakPolarHBondContact O-CB 3.19Å; A204-Q208 PolarHBondContact O-N 3.1Å; R205-Q208 PolarHBondContact O-N 2.95Å; H206-Q208 VanDerWaalsContact C-N 3.35Å; H206-Q208 PolarHBondContact O-N 3.49Å; Q208-L211 PolarHBondContact O-N 2.85Å; Q208-I212 HydrophobicContact CG-CD1 3.89Å; Q208-I212 HydrophobicContact CG-CG1 4.41Å; Q208-I212 WeakPolarHBondContact O-CB 3.32Å; Q208-I212 WeakPolarHBondContact O-CG1 3.44Å; Q208-I212 PolarHBondContact O-N 2.78Å; Q208-I217 HydrophobicContact CB-CD1 3.82Å; Q208-I217 HydrophobicContact CG-CD1 3.39Å; Q208-I217 WeakPolarHBondContact O-CD1 3.43Å |
| 209 | Q | 68.3 | Low | 69.6 | Low | 29 Ų | 29 | 97.7 Ų | 97.7 | 14% | 0.136 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -66.2 | -42.2 | 172.6 | -75.4 | -175.9 | -31.9 | 0 | 0 | 112.9 | R205 H206 Q207 L211 G213 I217 L219 | R205-Q209 PolarHBondContact O-N 3.02Å; H206-Q209 WeakPolarHBondContact O-CB 3.33Å; H206-Q209 PolarHBondContact O-N 2.84Å; Q207-Q209 VanDerWaalsContact C-N 3.3Å; Q207-Q209 PolarHBondContact O-N 2.94Å; Q209-L211 VanDerWaalsContact C-N 3.25Å; Q209-L211 PolarHBondContact O-N 2.86Å; Q209-G213 CarbonylContact O-C 3.36Å; Q209-G213 VanDerWaalsContact O-CA 3.24Å; Q209-G213 WeakPolarHBondContact O-CA 3.5Å; Q209-G213 PolarHBondContact O-N 2.81Å; Q209-I217 HydrophobicContact CG-CB 4.1Å; Q209-I217 HydrophobicContact CG-CG2 4.42Å; Q209-I217 WeakPolarHBondContact CG-O 3.46Å; Q209-I217 PolarHBondContact NE2-O 2.96Å; Q209-L219 VanDerWaalsContact CD-CD2 3.41Å; Q209-L219 VanDerWaalsContact NE2-CD2 3.32Å |
| 210 | Q | 70.1 | Confident | 68.5 | Low | 166 Ų | 166 | 95.2 Ų | 95.2 | 78% | 0.776 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.1 | -35 | 176.7 | -70.7 | 178.1 | -0.7 | 0 | 0 | 112 | H206 Q207 | H206-Q210 WeakPolarHBondContact O-CG 3.41Å; H206-Q210 PolarHBondContact O-N 2.92Å; Q207-Q210 PolarHBondContact O-N 3.46Å |
| 211 | L | 73.2 | Confident | 67.5 | Low | 153 Ų | 153 | 91.2 Ų | 91.2 | 80% | 0.801 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -80.7 | -35.4 | -179.4 | -68.8 | 171.4 | 0 | 0 | 0 | 114.4 | Q207 Q208 Q209 | Q207-L211 WeakPolarHBondContact O-CG 3.44Å; Q207-L211 PolarHBondContact O-N 3.21Å; Q207-L211 VanDerWaalsContact O-N 3.1Å; Q208-L211 PolarHBondContact O-N 2.85Å; Q209-L211 VanDerWaalsContact C-N 3.25Å; Q209-L211 PolarHBondContact O-N 2.86Å |
| 212 | I | 67.2 | Low | 66.6 | Low | 98 Ų | 98 | 89 Ų | 89 | 50% | 0.503 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -106.7 | -4.3 | -172.4 | -46.9 | -171 | 0 | 0 | 0 | 111.7 | Q208 T216 I217 | Q208-I212 HydrophobicContact CG-CD1 3.89Å; Q208-I212 HydrophobicContact CG-CG1 4.41Å; Q208-I212 WeakPolarHBondContact O-CB 3.32Å; Q208-I212 WeakPolarHBondContact O-CG1 3.44Å; Q208-I212 PolarHBondContact O-N 2.78Å; I212-T216 HydrophobicContact CG2-CG2 4.22Å; I212-T216 WeakPolarHBondContact CG2-OG1 3.29Å; I212-T216 PolarHBondContact O-OG1 2.97Å; I212-I217 HydrophobicContact CB-CD1 4.01Å; I212-I217 HydrophobicContact CD1-CD1 4.08Å; I212-I217 HydrophobicContact CG1-CD1 4.27Å |
| 213 | G | 62.4 | Low | 65.8 | Low | 34 Ų | 34 | 94.5 Ų | 94.5 | 35% | 0.351 | 48% | 0.483 | S | S | . | . | trans | 82.8 | 145.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q209 Q215 T216 | Q209-G213 CarbonylContact O-C 3.36Å; Q209-G213 VanDerWaalsContact O-CA 3.24Å; Q209-G213 WeakPolarHBondContact O-CA 3.5Å; Q209-G213 PolarHBondContact O-N 2.81Å; G213-Q215 PolarHBondContact O-N 3.45Å; G213-T216 PolarHBondContact O-N 3Å; G213-T216 PolarHBondContact O-OG1 3.13Å | ||
| 214 | E | 59.6 | Low | 64.6 | Low | 173 Ų | 173 | 97.7 Ų | 97.7 | 81% | 0.808 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -28 | -174.8 | -72.3 | 175.8 | 163.9 | 0 | 0 | 114.5 | T216 | E214-T216 VanDerWaalsContact C-N 3.31Å; E214-T216 PolarHBondContact O-N 3.19Å |
| 215 | Q | 58.5 | Low | 63.9 | Low | 191 Ų | 191 | 100 Ų | 100 | 89% | 0.893 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -14.3 | -174.6 | -66.6 | -88.2 | 16.6 | 0 | 0 | 114.7 | G213 | G213-Q215 PolarHBondContact O-N 3.45Š|
| 216 | T | 60 | Low | 63.2 | Low | 82 Ų | 82 | 102.5 Ų | 102.5 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -24.4 | -168.3 | 54.9 | 0 | 0 | 0 | 0 | 114.9 | I212 G213 E214 | I212-T216 HydrophobicContact CG2-CG2 4.22Å; I212-T216 WeakPolarHBondContact CG2-OG1 3.29Å; I212-T216 PolarHBondContact O-OG1 2.97Å; G213-T216 PolarHBondContact O-N 3Å; G213-T216 PolarHBondContact O-OG1 3.13Å; E214-T216 VanDerWaalsContact C-N 3.31Å; E214-T216 PolarHBondContact O-N 3.19Å |
| 217 | I | 59.3 | Low | 62.4 | Low | 29 Ų | 29 | 104.3 Ų | 104.3 | 15% | 0.149 | 53% | 0.529 | C | S | . | . | S | Bend | trans | -130.7 | 105.3 | -177 | -56.4 | 149.5 | 0 | 0 | 0 | 108.6 | Q208 Q209 I212 | Q208-I217 HydrophobicContact CB-CD1 3.82Å; Q208-I217 HydrophobicContact CG-CD1 3.39Å; Q208-I217 WeakPolarHBondContact O-CD1 3.43Å; Q209-I217 HydrophobicContact CG-CB 4.1Å; Q209-I217 HydrophobicContact CG-CG2 4.42Å; Q209-I217 WeakPolarHBondContact CG-O 3.46Å; Q209-I217 PolarHBondContact NE2-O 2.96Å; I212-I217 HydrophobicContact CB-CD1 4.01Å; I212-I217 HydrophobicContact CD1-CD1 4.08Å; I212-I217 HydrophobicContact CG1-CD1 4.27Å |
| 218 | P | 58.8 | Low | 61.4 | Low | 57 Ų | 57 | 102.2 Ų | 102.2 | 37% | 0.37 | 54% | 0.54 | S | S | . | . | trans | -76.8 | 135 | 178.5 | -5.3 | 18.5 | 0 | 0 | 0 | 112.4 | V220 L222 L225 | P218-V220 PolarHBondContact O-N 2.92Å; P218-L222 HydrophobicContact CG-CD2 3.97Å; P218-L222 HydrophobicContact CG-CG 4.34Å; P218-L225 HydrophobicContact CB-CD1 3.11Å; P218-L225 HydrophobicContact CG-CD1 3.74Å | ||
| 219 | L | 58.8 | Low | 60.8 | Low | 76 Ų | 76 | 105.1 Ų | 105.1 | 40% | 0.398 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -60.1 | -32.7 | 175.3 | -71.6 | -178.5 | 0 | 0 | 0 | 112.5 | R205 H206 Q209 | R205-L219 PolarHBondContact NH1-O 2.87Å; R205-L219 VanDerWaalsContact NH1-O 3.15Å; H206-L219 VanDerWaalsContact CD2-CD2 3.44Å; H206-L219 WeakPolarHBondContact CD2-CD2 3.35Å; Q209-L219 VanDerWaalsContact CD-CD2 3.41Å; Q209-L219 VanDerWaalsContact NE2-CD2 3.32Å |
| 220 | V | 59 | Low | 60 | Low | 59 Ų | 59 | 107.9 Ų | 107.9 | 36% | 0.358 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -97.2 | 139.8 | -175.1 | -164.9 | 0 | 0 | 0 | 0 | 109.2 | P218 L222 K224 L225 | P218-V220 PolarHBondContact O-N 2.92Å; V220-L222 PolarHBondContact O-N 3.18Å; V220-K224 HydrophobicContact CG1-CB 3.55Å; V220-K224 HydrophobicContact CG1-CD 3.33Å; V220-K224 HydrophobicContact CG1-CG 3.96Å; V220-L225 HydrophobicContact CB-CD2 4.35Å; V220-L225 HydrophobicContact CB-CG 4.34Å |
| 221 | P | 59.8 | Low | 59.2 | Low | 65 Ų | 65 | 110 Ų | 110 | 42% | 0.422 | 58% | 0.577 | S | S | . | * | trans | -48.7 | 129 | 174 | -29.3 | 35.3 | 0 | 0 | 0 | 111.2 | R223 K224 | P221-R223 HydrophobicContact CB-CG 3.94Å; P221-R223 PolarHBondContact O-N 3.03Å; P221-K224 WeakPolarHBondContact O-CB 3.44Å; P221-K224 PolarHBondContact O-N 3.43Å | ||
| 222 | L | 58.1 | Low | 58.2 | Low | 114 Ų | 114 | 111.3 Ų | 111.3 | 60% | 0.597 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -44.9 | -35.9 | -177 | -82.6 | 155.9 | 0 | 0 | 0 | 113.3 | P218 V220 K224 L225 L226 | P218-L222 HydrophobicContact CG-CD2 3.97Å; P218-L222 HydrophobicContact CG-CG 4.34Å; V220-L222 PolarHBondContact O-N 3.18Å; L222-K224 PolarHBondContact O-N 3.04Å; L222-L225 PolarHBondContact O-N 2.96Å; L222-L226 WeakPolarHBondContact O-CB 3.29Å; L222-L226 PolarHBondContact O-N 3.37Å |
| 223 | R | 58.1 | Low | 57.8 | Low | 171 Ų | 171 | 115.7 Ų | 115.7 | 65% | 0.645 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -56 | -28.5 | 174.8 | 66.9 | -177.5 | -178.1 | 89.1 | -2.7 | 115.3 | P221 N227 | P221-R223 HydrophobicContact CB-CG 3.94Å; P221-R223 PolarHBondContact O-N 3.03Å; R223-N227 WeakPolarHBondContact O-CB 3.36Å; R223-N227 PolarHBondContact O-N 3.2Å; R223-N227 PolarHBondContact O-OD1 3.15Å |
| 224 | K | 55.5 | Low | 57.4 | Low | 132 Ų | 132 | 117.8 Ų | 117.8 | 57% | 0.574 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -80.3 | -35.1 | 175.8 | -72.3 | -172.4 | 160.3 | -161.1 | 0 | 111.1 | V220 P221 L222 | V220-K224 HydrophobicContact CG1-CB 3.55Å; V220-K224 HydrophobicContact CG1-CD 3.33Å; V220-K224 HydrophobicContact CG1-CG 3.96Å; P221-K224 WeakPolarHBondContact O-CB 3.44Å; P221-K224 PolarHBondContact O-N 3.43Å; L222-K224 PolarHBondContact O-N 3.04Å |
| 225 | L | 61 | Low | 57 | Low | 99 Ų | 99 | 115 Ų | 115 | 52% | 0.518 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -75.1 | -34.8 | 176.6 | -58.6 | 171 | 0 | 0 | 0 | 112.1 | P218 V220 L222 N227 | P218-L225 HydrophobicContact CB-CD1 3.11Å; P218-L225 HydrophobicContact CG-CD1 3.74Å; V220-L225 HydrophobicContact CB-CD2 4.35Å; V220-L225 HydrophobicContact CB-CG 4.34Å; L222-L225 PolarHBondContact O-N 2.96Å; L225-N227 VanDerWaalsContact C-N 3.3Å |
| 226 | L | 60.9 | Low | 56.9 | Low | 132 Ų | 132 | 111.7 Ų | 111.7 | 69% | 0.691 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -82.3 | -6.9 | 177.2 | -123.4 | 78 | 0 | 0 | 0 | 113.1 | L222 G228 | L222-L226 WeakPolarHBondContact O-CB 3.29Å; L222-L226 PolarHBondContact O-N 3.37Å; L226-G228 PolarHBondContact O-N 3.16Å |
| 227 | N | 56.8 | Low | 56.6 | Low | 116 Ų | 116 | 116.5 Ų | 116.5 | 62% | 0.62 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -75.8 | 0.3 | -176.1 | -105 | 25.8 | 0 | 0 | 0 | 114.1 | R223 L225 Q229 | R223-N227 WeakPolarHBondContact O-CB 3.36Å; R223-N227 PolarHBondContact O-N 3.2Å; R223-N227 PolarHBondContact O-OD1 3.15Å; L225-N227 VanDerWaalsContact C-N 3.3Å; N227-Q229 VanDerWaalsContact C-N 3.29Å; N227-Q229 PolarHBondContact O-N 2.76Å |
| 228 | G | 54.8 | Low | 56.3 | Low | 76 Ų | 76 | 125.6 Ų | 125.6 | 78% | 0.784 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -73.6 | -9.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | L226 | L226-G228 PolarHBondContact O-N 3.16Š|
| 229 | Q | 57.5 | Low | 56.1 | Low | 155 Ų | 155 | 127.2 Ų | 127.2 | 72% | 0.724 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -131.4 | 25.2 | -174.7 | -67.7 | -170.3 | -13.2 | 0 | 0 | 115 | N227 Y231 | N227-Q229 VanDerWaalsContact C-N 3.29Å; N227-Q229 PolarHBondContact O-N 2.76Å; Q229-Y231 WeakPolarHBondContact O-CD2 3.17Å; Q229-Y231 PolarHBondContact O-N 2.96Å; Q229-Y231 VanDerWaalsContact O-N 3.12Å |
| 230 | C | 50.4 | Low | 56.1 | Low | 87 Ų | 87 | 135.8 Ų | 135.8 | 59% | 0.588 | 67% | 0.674 | S | S | * | * | trans | -79.7 | 95 | 170.4 | -165.8 | 0 | 0 | 0 | 0 | 110.3 | Y232 | C230-Y232 PolarHBondContact O-N 3.46Š| ||
| 231 | Y | 52.8 | Low | 56.1 | Low | 210 Ų | 210 | 138.3 Ų | 138.3 | 82% | 0.824 | 70% | 0.695 | S | S | * | * | trans | -70.7 | -1.1 | 173.2 | -70.4 | -82.6 | 0 | 0 | 0 | 114 | Q229 K233 | Q229-Y231 WeakPolarHBondContact O-CD2 3.17Å; Q229-Y231 PolarHBondContact O-N 2.96Å; Q229-Y231 VanDerWaalsContact O-N 3.12Å; Y231-K233 PolarHBondContact O-N 3.36Å | ||
| 232 | Y | 53.2 | Low | 56.1 | Low | 182 Ų | 182 | 138.8 Ų | 138.8 | 71% | 0.714 | 70% | 0.704 | S | S | * | * | trans | -76.3 | 91.4 | 174.2 | -172.1 | -103.6 | 0 | 0 | 0 | 109.7 | C230 P234 | C230-Y232 PolarHBondContact O-N 3.46Å; Y232-P234 HydrophobicContact CD1-CG 4.42Å; Y232-P234 HydrophobicContact CE1-CB 3.87Å; Y232-P234 HydrophobicContact CE1-CG 4.09Å; Y232-P234 WeakPolarHBondContact O-CD 3.18Å | ||
| 233 | K | 59.6 | Low | 56.2 | Low | 190 Ų | 190 | 139 Ų | 139 | 83% | 0.826 | 71% | 0.712 | S | S | * | * | trans | -92.1 | 94.1 | 165 | -67.8 | -176.1 | -179.7 | 178.6 | 0 | 107.6 | Y231 | Y231-K233 PolarHBondContact O-N 3.36Š| ||
| 234 | P | 52.1 | Low | 56.4 | Low | 77 Ų | 77 | 141.1 Ų | 141.1 | 50% | 0.5 | 73% | 0.726 | S | S | . | * | trans | -55.8 | 132.1 | 173.8 | 22.1 | -29.9 | 0 | 0 | 0 | 108 | Y232 V236 | Y232-P234 HydrophobicContact CD1-CG 4.42Å; Y232-P234 HydrophobicContact CE1-CB 3.87Å; Y232-P234 HydrophobicContact CE1-CG 4.09Å; Y232-P234 WeakPolarHBondContact O-CD 3.18Å; P234-V236 PolarHBondContact O-N 3.43Å | ||
| 235 | P | 53.2 | Low | 56.6 | Low | 114 Ų | 114 | 143 Ų | 143 | 74% | 0.74 | 74% | 0.741 | S | S | * | * | trans | -52.2 | 129.3 | 178.2 | -26.7 | 34.3 | 0 | 0 | 0 | 109.9 | E237 | P235-E237 PolarHBondContact O-N 3.27Š| ||
| 236 | V | 55.4 | Low | 56.4 | Low | 122 Ų | 122 | 141.4 Ų | 141.4 | 74% | 0.739 | 75% | 0.748 | S | S | * | * | trans | -65.7 | 87.6 | 171 | 165.7 | 0 | 0 | 0 | 0 | 107.4 | P234 R238 | P234-V236 PolarHBondContact O-N 3.43Å; V236-R238 HydrophobicContact CG1-CG 4.07Å; V236-R238 PolarHBondContact O-N 3.26Å | ||
| 237 | E | 53.5 | Low | 56.2 | Low | 184 Ų | 184 | 140.3 Ų | 140.3 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | trans | -68.9 | 101.9 | 162.7 | -87.5 | -176.1 | 164.5 | 0 | 0 | 107.6 | P235 S239 | P235-E237 PolarHBondContact O-N 3.27Å; E237-S239 PolarHBondContact O-N 3.17Å; E237-S239 VanDerWaalsContact O-N 3.11Å | ||
| 238 | R | 53.9 | Low | 56.3 | Low | 219 Ų | 219 | 142.6 Ų | 142.6 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | trans | -64.1 | 104.1 | -176.3 | -69.8 | -178.9 | 166.5 | 96.7 | -3.9 | 110.7 | V236 | V236-R238 HydrophobicContact CG1-CG 4.07Å; V236-R238 PolarHBondContact O-N 3.26Å | ||
| 239 | S | 53.4 | Low | 56.5 | Low | 91 Ų | 91 | 144.5 Ų | 144.5 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | trans | -76.7 | 118 | 155.2 | -34.5 | 0 | 0 | 0 | 0 | 107.9 | E237 S241 | E237-S239 PolarHBondContact O-N 3.17Å; E237-S239 VanDerWaalsContact O-N 3.11Å; S239-S241 PolarHBondContact O-N 2.9Å | ||
| 240 | R | 59.8 | Low | 56.5 | Low | 256 Ų | 256 | 144.5 Ų | 144.5 | 97% | 0.966 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 8.5 | -175.4 | -67.8 | -177.2 | 176.1 | -177 | -1.3 | 115.2 | ||
| 241 | S | 58.4 | Low | 57.5 | Low | 113 Ų | 113 | 145.1 Ų | 145.1 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.6 | 2.4 | -168.6 | 44.3 | 0 | 0 | 0 | 0 | 115.3 | S239 | S239-S241 PolarHBondContact O-N 2.9Š|
| 242 | A | 60 | Low | 57.9 | Low | 74 Ų | 74 | 140.9 Ų | 140.9 | 61% | 0.612 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -109.2 | 130.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 243 | P | 60.8 | Low | 58.5 | Low | 118 Ų | 118 | 138.3 Ų | 138.3 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | trans | -56.6 | 142.5 | 171.5 | -22.6 | 32.9 | 0 | 0 | 0 | 111.5 | L245 | P243-L245 PolarHBondContact O-N 3.03Š| ||
| 244 | K | 61.3 | Low | 59 | Low | 217 Ų | 217 | 130.6 Ų | 130.6 | 94% | 0.943 | 72% | 0.719 | S | S | * | * | trans | -63.5 | 102.4 | -177.4 | -66.8 | 176.4 | -178.6 | 174.2 | 0 | 110.3 | G246 | K244-G246 PolarHBondContact O-N 2.86Š| ||
| 245 | L | 59.2 | Low | 59.5 | Low | 172 Ų | 172 | 131.4 Ų | 131.4 | 90% | 0.901 | 72% | 0.716 | S | S | * | * | trans | -75.4 | 115 | 164.1 | -66.7 | 173.7 | 0 | 0 | 0 | 107.8 | P243 | P243-L245 PolarHBondContact O-N 3.03Š| ||
| 246 | G | 58.4 | Low | 60 | Low | 64 Ų | 64 | 132.1 Ų | 132.1 | 66% | 0.66 | 71% | 0.71 | S | S | * | * | trans | -68.2 | 156 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111 | K244 I248 | K244-G246 PolarHBondContact O-N 2.86Å; G246-I248 PolarHBondContact O-N 3.39Å | ||
| 247 | S | 56.7 | Low | 60.4 | Low | 110 Ų | 110 | 133.6 Ų | 133.6 | 77% | 0.769 | 71% | 0.709 | S | S | * | * | trans | -60.3 | 122.2 | 167.1 | 50.3 | 0 | 0 | 0 | 0 | 108.7 | T249 | S247-T249 PolarHBondContact O-N 3.44Å; S247-T249 VanDerWaalsContact O-N 3.13Å | ||
| 248 | I | 57.6 | Low | 60.9 | Low | 164 Ų | 164 | 131.4 Ų | 131.4 | 84% | 0.841 | 70% | 0.699 | S | S | * | * | trans | -67.8 | 110 | 169.1 | -57.6 | 171.8 | 0 | 0 | 0 | 105.6 | G246 | G246-I248 PolarHBondContact O-N 3.39Š| ||
| 249 | T | 58.7 | Low | 61.4 | Low | 115 Ų | 115 | 127.4 Ų | 127.4 | 71% | 0.706 | 69% | 0.689 | S | S | * | * | trans | -74.1 | 123.7 | 170.1 | 46.7 | 0 | 0 | 0 | 0 | 107.4 | S247 D251 | S247-T249 PolarHBondContact O-N 3.44Å; S247-T249 VanDerWaalsContact O-N 3.13Å; T249-D251 PolarHBondContact O-N 3.19Å | ||
| 250 | E | 57.9 | Low | 62.1 | Low | 156 Ų | 156 | 130.8 Ų | 130.8 | 73% | 0.729 | 69% | 0.693 | S | S | * | * | trans | -63.6 | 115.8 | 172.4 | -63 | 178.4 | 162.8 | 0 | 0 | 107.6 | L252 | E250-L252 PolarHBondContact O-N 3.36Š| ||
| 251 | D | 72.8 | Confident | 62.3 | Low | 99 Ų | 99 | 121.3 Ų | 121.3 | 53% | 0.529 | 67% | 0.669 | S | S | . | * | trans | -85.6 | 84.6 | 178.4 | -177.7 | 9.3 | 0 | 0 | 0 | 108.7 | T249 L253 G254 E255 | T249-D251 PolarHBondContact O-N 3.19Å; D251-L253 PolarHBondContact O-N 3.47Å; D251-L253 VanDerWaalsContact O-N 3.14Å; D251-L253 PolarHBondContact OD1-N 3.37Å; D251-G254 PolarHBondContact O-N 3.03Å; D251-G254 VanDerWaalsContact O-N 3.08Å; D251-G254 PolarHBondContact OD1-N 2.84Å; D251-E255 PolarHBondContact O-N 2.87Å | ||
| 252 | L | 61.2 | Low | 62.2 | Low | 121 Ų | 121 | 121.8 Ų | 121.8 | 63% | 0.634 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -55.8 | -30 | -177.6 | -64.6 | 170.1 | 0 | 0 | 0 | 112.8 | E250 E256 | E250-L252 PolarHBondContact O-N 3.36Å; L252-E256 PolarHBondContact O-N 3Å |
| 253 | L | 65.3 | Low | 61.8 | Low | 128 Ų | 128 | 123.7 Ų | 123.7 | 67% | 0.67 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -75.8 | -39.7 | 178.8 | -66.3 | 175.2 | 0 | 0 | 0 | 111.4 | D251 E255 E257 | D251-L253 PolarHBondContact O-N 3.47Å; D251-L253 VanDerWaalsContact O-N 3.14Å; D251-L253 PolarHBondContact OD1-N 3.37Å; L253-E255 VanDerWaalsContact C-N 3.34Å; L253-E257 WeakPolarHBondContact O-CB 3.43Å; L253-E257 PolarHBondContact O-N 3.2Å; L253-E257 VanDerWaalsContact O-N 3.09Å |
| 254 | G | 69.8 | Low | 60.9 | Low | 28 Ų | 28 | 124.6 Ų | 124.6 | 29% | 0.289 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -64.6 | -38.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D251 E257 E258 | D251-G254 PolarHBondContact O-N 3.03Å; D251-G254 VanDerWaalsContact O-N 3.08Å; D251-G254 PolarHBondContact OD1-N 2.84Å; G254-E257 PolarHBondContact O-N 2.91Å; G254-E258 WeakPolarHBondContact O-CB 3.28Å; G254-E258 PolarHBondContact O-N 2.91Å |
| 255 | E | 62.3 | Low | 60.4 | Low | 94 Ų | 94 | 121.2 Ų | 121.2 | 44% | 0.439 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -68.9 | -42.5 | 176.5 | -69.3 | -178.9 | 175.7 | 0 | 0 | 112.3 | D251 L253 E257 E258 E259 | D251-E255 PolarHBondContact O-N 2.87Å; L253-E255 VanDerWaalsContact C-N 3.34Å; E255-E257 VanDerWaalsContact C-N 3.31Å; E255-E257 PolarHBondContact O-N 2.74Å; E255-E258 PolarHBondContact O-N 2.78Å; E255-E259 WeakPolarHBondContact O-CB 3.45Å; E255-E259 WeakPolarHBondContact O-CG 3.5Å; E255-E259 PolarHBondContact O-N 3.47Å |
| 256 | E | 63.3 | Low | 59.8 | Low | 130 Ų | 130 | 116.9 Ų | 116.9 | 61% | 0.607 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -62.2 | -37.6 | 174 | -88 | -174.1 | 169.2 | 0 | 0 | 112.3 | L252 K260 | L252-E256 PolarHBondContact O-N 3Å; E256-K260 VanDerWaalsContact O-CB 3.24Å; E256-K260 WeakPolarHBondContact O-CB 3.25Å; E256-K260 PolarHBondContact O-N 3.12Å |
| 257 | E | 64.4 | Low | 59.1 | Low | 152 Ų | 152 | 118.2 Ų | 118.2 | 71% | 0.71 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -70.9 | -36.1 | 178.7 | -156.5 | 167 | -148.4 | 0 | 0 | 111.5 | L253 G254 E255 A261 | L253-E257 WeakPolarHBondContact O-CB 3.43Å; L253-E257 PolarHBondContact O-N 3.2Å; L253-E257 VanDerWaalsContact O-N 3.09Å; G254-E257 PolarHBondContact O-N 2.91Å; E255-E257 VanDerWaalsContact C-N 3.31Å; E255-E257 PolarHBondContact O-N 2.74Å; E257-A261 WeakPolarHBondContact O-CB 3.33Å; E257-A261 PolarHBondContact O-N 3.03Å |
| 258 | E | 64.8 | Low | 58.2 | Low | 139 Ų | 139 | 118.5 Ų | 118.5 | 65% | 0.65 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -70.2 | -38.8 | 173.4 | -138.2 | 177.1 | -163.2 | 0 | 0 | 112.1 | G254 E255 A261 M262 | G254-E258 WeakPolarHBondContact O-CB 3.28Å; G254-E258 PolarHBondContact O-N 2.91Å; E255-E258 PolarHBondContact O-N 2.78Å; E258-A261 PolarHBondContact O-N 2.85Å; E258-M262 PolarHBondContact O-N 2.85Å |
| 259 | E | 64.4 | Low | 58 | Low | 134 Ų | 134 | 117.1 Ų | 117.1 | 63% | 0.626 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.5 | -41.1 | 173.1 | -78.7 | -170.3 | 165.1 | 0 | 0 | 111.8 | E255 M262 H263 | E255-E259 WeakPolarHBondContact O-CB 3.45Å; E255-E259 WeakPolarHBondContact O-CG 3.5Å; E255-E259 PolarHBondContact O-N 3.47Å; E259-M262 PolarHBondContact O-N 3.1Å; E259-H263 PolarHBondContact O-N 2.91Å |
| 260 | K | 66.8 | Low | 57.6 | Low | 163 Ų | 163 | 117.8 Ų | 117.8 | 71% | 0.709 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -69.2 | -35.6 | 177.7 | -158.2 | 171.2 | -168.8 | 172.5 | 0 | 112 | E256 H263 F264 | E256-K260 VanDerWaalsContact O-CB 3.24Å; E256-K260 WeakPolarHBondContact O-CB 3.25Å; E256-K260 PolarHBondContact O-N 3.12Å; K260-H263 PolarHBondContact O-N 2.9Å; K260-F264 PolarHBondContact O-N 2.95Å; K260-F264 VanDerWaalsContact O-N 3.1Å |
| 261 | A | 64.5 | Low | 56.9 | Low | 56 Ų | 56 | 116.8 Ų | 116.8 | 46% | 0.463 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.1 | -41.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E257 E258 F264 E265 | E257-A261 WeakPolarHBondContact O-CB 3.33Å; E257-A261 PolarHBondContact O-N 3.03Å; E258-A261 PolarHBondContact O-N 2.85Å; A261-F264 PolarHBondContact O-N 2.96Å; A261-E265 PolarHBondContact O-N 2.8Å; A261-E265 VanDerWaalsContact O-N 3.16Å |
| 262 | M | 55.5 | Low | 55.8 | Low | 124 Ų | 124 | 117.3 Ų | 117.3 | 61% | 0.611 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66.8 | -34.8 | 174 | -88.4 | -159.2 | -69.4 | 0 | 0 | 113.4 | E258 E259 C266 | E258-M262 PolarHBondContact O-N 2.85Å; E259-M262 PolarHBondContact O-N 3.1Å; M262-C266 PolarHBondContact O-N 3.27Å |
| 263 | H | 52.7 | Low | 54.8 | Low | 114 Ų | 114 | 118.4 Ų | 118.4 | 53% | 0.528 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.2 | -44.8 | 176.1 | -166.7 | -81.8 | 0 | 0 | 0 | 111.1 | E259 K260 E265 C266 E267 | E259-H263 PolarHBondContact O-N 2.91Å; K260-H263 PolarHBondContact O-N 2.9Å; H263-E265 PolarHBondContact O-N 3.42Å; H263-C266 PolarHBondContact O-N 3.1Å; H263-C266 VanDerWaalsContact O-N 3.09Å; H263-E267 IonicContact CE1-OE1 3.18Å; H263-E267 IonicContact CE1-OE2 3.27Å; H263-E267 PolarHBondContact CE1-OE2 3.26Å; H263-E267 IonicContact ND1-OE2 2.78Å; H263-E267 PolarHBondContact ND1-OE2 3.17Å; H263-E267 PolarHBondContact O-N 3.49Å; H263-E267 VanDerWaalsContact O-N 3.1Å |
| 264 | F | 41.4 | Very low | 54.2 | Low | 136 Ų | 136 | 120.1 Ų | 120.1 | 60% | 0.596 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.4 | -36.9 | 179.3 | -161.8 | -96.1 | 0 | 0 | 0 | 112.6 | K260 A261 C266 D268 | K260-F264 PolarHBondContact O-N 2.95Å; K260-F264 VanDerWaalsContact O-N 3.1Å; A261-F264 PolarHBondContact O-N 2.96Å; F264-C266 VanDerWaalsContact C-N 3.25Å; F264-C266 PolarHBondContact O-N 3.4Å; F264-D268 PolarHBondContact O-N 2.94Å |
| 265 | E | 50 | Low | 52.9 | Low | 146 Ų | 146 | 126.3 Ų | 126.3 | 68% | 0.682 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -67.6 | -22.2 | 173.7 | -73.6 | -168.3 | 166.8 | 0 | 0 | 113.8 | A261 H263 | A261-E265 PolarHBondContact O-N 2.8Å; A261-E265 VanDerWaalsContact O-N 3.16Å; H263-E265 PolarHBondContact O-N 3.42Å |
| 266 | C | 47 | Very low | 51.9 | Low | 81 Ų | 81 | 127.5 Ų | 127.5 | 55% | 0.547 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -88.6 | -31.9 | -179.9 | -139.3 | 0 | 0 | 0 | 0 | 112.2 | M262 H263 F264 | M262-C266 PolarHBondContact O-N 3.27Å; H263-C266 PolarHBondContact O-N 3.1Å; H263-C266 VanDerWaalsContact O-N 3.09Å; F264-C266 VanDerWaalsContact C-N 3.25Å; F264-C266 PolarHBondContact O-N 3.4Å |
| 267 | E | 43.6 | Very low | 51 | Low | 92 Ų | 92 | 128 Ų | 128 | 43% | 0.43 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -73.2 | -38.6 | 179.6 | -134.7 | 154.2 | -167.3 | 0 | 0 | 111.6 | H263 I269 L270 D271 | H263-E267 IonicContact CE1-OE1 3.18Å; H263-E267 IonicContact CE1-OE2 3.27Å; H263-E267 PolarHBondContact CE1-OE2 3.26Å; H263-E267 IonicContact ND1-OE2 2.78Å; H263-E267 PolarHBondContact ND1-OE2 3.17Å; H263-E267 PolarHBondContact O-N 3.49Å; H263-E267 VanDerWaalsContact O-N 3.1Å; E267-I269 PolarHBondContact O-N 3.49Å; E267-L270 PolarHBondContact O-N 3.06Å; E267-D271 PolarHBondContact O-N 3.42Å |
| 268 | D | 39.3 | Very low | 50.1 | Low | 117 Ų | 117 | 123.3 Ų | 123.3 | 63% | 0.626 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -12.2 | 175.6 | -98 | -4.5 | 0 | 0 | 0 | 114.3 | F264 | F264-D268 PolarHBondContact O-N 2.94Š|
| 269 | I | 52.7 | Low | 49.3 | Very low | 135 Ų | 135 | 122 Ų | 122 | 69% | 0.692 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -17.1 | 174.8 | -58.3 | 176 | 0 | 0 | 0 | 111.5 | E267 | E267-I269 PolarHBondContact O-N 3.49Š|
| 270 | L | 49.5 | Very low | 48.5 | Very low | 129 Ų | 129 | 117.2 Ų | 117.2 | 68% | 0.675 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | -13.6 | -170.3 | -62.5 | 176.8 | 0 | 0 | 0 | 114.4 | E267 T272 | E267-L270 PolarHBondContact O-N 3.06Å; L270-T272 PolarHBondContact O-N 3.32Å |
| 271 | D | 44.4 | Very low | 47.8 | Very low | 134 Ų | 134 | 117.7 Ų | 117.7 | 72% | 0.717 | 65% | 0.649 | S | S | * | * | trans | -93.4 | 30 | -175.4 | -86.4 | -5.2 | 0 | 0 | 0 | 115.2 | E267 | E267-D271 PolarHBondContact O-N 3.42Š| ||
| 272 | T | 48.8 | Very low | 47.4 | Very low | 110 Ų | 110 | 121.4 Ų | 121.4 | 68% | 0.675 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -120.6 | 102.8 | 164.3 | -29.2 | 0 | 0 | 0 | 0 | 110.3 | L270 | L270-T272 PolarHBondContact O-N 3.32Š|
| 273 | D | 41.2 | Very low | 47.5 | Very low | 145 Ų | 145 | 121 Ų | 121 | 78% | 0.775 | 65% | 0.654 | S | S | * | * | trans | 79.8 | 81.8 | 161.5 | -51.9 | -30.3 | 0 | 0 | 0 | 118.3 | D275 | D273-D275 VanDerWaalsContact C-N 3.3Å; D273-D275 PolarHBondContact O-N 3.4Å; D273-D275 VanDerWaalsContact O-N 3.13Å | ||
| 274 | D | 51.8 | Low | 47.5 | Very low | 163 Ų | 163 | 120.6 Ų | 120.6 | 87% | 0.872 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 81.6 | 151 | -164.8 | 51.8 | 0 | 0 | 0 | 109.1 | ||
| 275 | D | 43.2 | Very low | 48.4 | Very low | 159 Ų | 159 | 117 Ų | 117 | 85% | 0.85 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -178.5 | 36.7 | 151.6 | -105.4 | -24.6 | 0 | 0 | 0 | 115.8 | D273 | D273-D275 VanDerWaalsContact C-N 3.3Å; D273-D275 PolarHBondContact O-N 3.4Å; D273-D275 VanDerWaalsContact O-N 3.13Å |
| 276 | C | 40.8 | Very low | 49 | Very low | 119 Ų | 119 | 115.3 Ų | 115.3 | 80% | 0.804 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -143.4 | 105.7 | 171.2 | 178.8 | 0 | 0 | 0 | 0 | 113.3 | ||
| 277 | V | 43.6 | Very low | 49.5 | Very low | 141 Ų | 141 | 115.2 Ų | 115.2 | 86% | 0.855 | 63% | 0.632 | S | S | * | * | trans | -62.4 | 121.3 | -168 | 177.3 | 0 | 0 | 0 | 0 | 114.3 | N279 | V277-N279 VanDerWaalsContact C-N 3.31Å; V277-N279 PolarHBondContact O-N 3.35Å | ||
| 278 | G | 46.6 | Very low | 50.2 | Low | 53 Ų | 53 | 116.4 Ų | 116.4 | 55% | 0.546 | 64% | 0.64 | S | S | . | * | S | Bend | trans | 74.4 | -35.8 | 143.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||
| 279 | N | 47.1 | Very low | 51.3 | Low | 111 Ų | 111 | 112.5 Ų | 112.5 | 59% | 0.594 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -83.8 | -34.5 | -169.3 | -157.9 | 46.1 | 0 | 0 | 0 | 113.1 | V277 K281 Q282 E283 | V277-N279 VanDerWaalsContact C-N 3.31Å; V277-N279 PolarHBondContact O-N 3.35Å; N279-K281 PolarHBondContact O-N 3.17Å; N279-Q282 PolarHBondContact O-N 3.4Å; N279-E283 PolarHBondContact O-N 3.23Å; N279-E283 VanDerWaalsContact O-N 3.08Å |
| 280 | G | 47.1 | Very low | 51.6 | Low | 34 Ų | 34 | 110.1 Ų | 110.1 | 35% | 0.351 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -67.5 | -32.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.2 | E283 L284 | G280-E283 PolarHBondContact O-N 3.27Å; G280-L284 VanDerWaalsContact O-CB 3.29Å; G280-L284 WeakPolarHBondContact O-CB 3.45Å; G280-L284 VanDerWaalsContact O-CG 3.22Å; G280-L284 WeakPolarHBondContact O-CG 3.41Å; G280-L284 PolarHBondContact O-N 3.11Å |
| 281 | K | 53.9 | Low | 51.9 | Low | 172 Ų | 172 | 109.1 Ų | 109.1 | 75% | 0.748 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.2 | -37.4 | 176.3 | -71.8 | -175.7 | 177.8 | 176.8 | 0 | 111.9 | N279 S285 | N279-K281 PolarHBondContact O-N 3.17Å; K281-S285 WeakPolarHBondContact O-CB 3.3Å; K281-S285 PolarHBondContact O-N 3.43Å; K281-S285 PolarHBondContact O-OG 2.84Å |
| 282 | Q | 55.7 | Low | 52.7 | Low | 134 Ų | 134 | 104.7 Ų | 104.7 | 63% | 0.626 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -70.1 | -44.3 | 175.6 | -67.1 | -177.1 | 1.3 | 0 | 0 | 110.7 | N279 S285 Q286 | N279-Q282 PolarHBondContact O-N 3.4Å; Q282-S285 WeakPolarHBondContact CA-OG 3.31Å; Q282-S285 PolarHBondContact O-N 2.84Å; Q282-S285 PolarHBondContact O-OG 2.86Å; Q282-Q286 WeakPolarHBondContact O-CB 3.26Å; Q282-Q286 PolarHBondContact O-N 2.93Å |
| 283 | E | 57.2 | Low | 53.9 | Low | 117 Ų | 117 | 104 Ų | 104 | 55% | 0.547 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.5 | -45.5 | 177.5 | -168.6 | 171.7 | -168.9 | 0 | 0 | 112.4 | N279 G280 Q286 I287 | N279-E283 PolarHBondContact O-N 3.23Å; N279-E283 VanDerWaalsContact O-N 3.08Å; G280-E283 PolarHBondContact O-N 3.27Å; E283-Q286 WeakPolarHBondContact O-CB 3.16Å; E283-Q286 PolarHBondContact O-N 2.79Å; E283-I287 HydrophobicContact CG-CD1 4.08Å; E283-I287 WeakPolarHBondContact O-CD1 3.38Å; E283-I287 WeakPolarHBondContact O-CG1 3.18Å; E283-I287 PolarHBondContact O-N 3.45Å |
| 284 | L | 52 | Low | 55.9 | Low | 105 Ų | 105 | 97.8 Ų | 97.8 | 55% | 0.55 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.8 | -39.6 | 173.7 | -70 | 172.9 | 0 | 0 | 0 | 111.9 | G280 Q286 I287 I288 | G280-L284 VanDerWaalsContact O-CB 3.29Å; G280-L284 WeakPolarHBondContact O-CB 3.45Å; G280-L284 VanDerWaalsContact O-CG 3.22Å; G280-L284 WeakPolarHBondContact O-CG 3.41Å; G280-L284 PolarHBondContact O-N 3.11Å; L284-Q286 VanDerWaalsContact C-N 3.26Å; L284-Q286 PolarHBondContact O-N 2.85Å; L284-I287 PolarHBondContact O-N 2.77Å; L284-I288 WeakPolarHBondContact O-CB 3.47Å; L284-I288 WeakPolarHBondContact O-CD1 3.24Å; L284-I288 WeakPolarHBondContact O-CG1 3.17Å; L284-I288 PolarHBondContact O-N 2.92Å |
| 285 | S | 61.6 | Low | 57.5 | Low | 59 Ų | 59 | 91.6 Ų | 91.6 | 41% | 0.413 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.6 | -33.2 | 175.2 | 76.4 | 0 | 0 | 0 | 0 | 112.5 | K281 Q282 S289 | K281-S285 WeakPolarHBondContact O-CB 3.3Å; K281-S285 PolarHBondContact O-N 3.43Å; K281-S285 PolarHBondContact O-OG 2.84Å; Q282-S285 WeakPolarHBondContact CA-OG 3.31Å; Q282-S285 PolarHBondContact O-N 2.84Å; Q282-S285 PolarHBondContact O-OG 2.86Å; S285-S289 VanDerWaalsContact O-CB 3.24Å; S285-S289 WeakPolarHBondContact O-CB 3.21Å; S285-S289 PolarHBondContact O-N 2.87Å; S285-S289 PolarHBondContact O-OG 3.29Å |
| 286 | Q | 61.3 | Low | 59.6 | Low | 111 Ų | 111 | 85.4 Ų | 85.4 | 52% | 0.519 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70.9 | -46.2 | 175.5 | -162.7 | 65.8 | 41.1 | 0 | 0 | 110.2 | Q282 E283 L284 I288 S289 D290 | Q282-Q286 WeakPolarHBondContact O-CB 3.26Å; Q282-Q286 PolarHBondContact O-N 2.93Å; E283-Q286 WeakPolarHBondContact O-CB 3.16Å; E283-Q286 PolarHBondContact O-N 2.79Å; L284-Q286 VanDerWaalsContact C-N 3.26Å; L284-Q286 PolarHBondContact O-N 2.85Å; Q286-I288 PolarHBondContact O-N 3.32Å; Q286-S289 WeakPolarHBondContact O-CB 3.44Å; Q286-S289 PolarHBondContact O-N 2.98Å; Q286-S289 VanDerWaalsContact O-N 3.15Å; Q286-D290 WeakPolarHBondContact O-CB 3.38Å; Q286-D290 PolarHBondContact O-N 3.48Å |
| 287 | I | 57.4 | Low | 61.6 | Low | 79 Ų | 79 | 81.3 Ų | 81.3 | 41% | 0.405 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 175.3 | -66.9 | 162 | 0 | 0 | 0 | 111.2 | E283 L284 S289 D290 L291 | E283-I287 HydrophobicContact CG-CD1 4.08Å; E283-I287 WeakPolarHBondContact O-CD1 3.38Å; E283-I287 WeakPolarHBondContact O-CG1 3.18Å; E283-I287 PolarHBondContact O-N 3.45Å; L284-I287 PolarHBondContact O-N 2.77Å; I287-S289 VanDerWaalsContact C-N 3.33Å; I287-D290 PolarHBondContact O-N 3.14Å; I287-L291 HydrophobicContact CG2-CD1 3.88Å; I287-L291 HydrophobicContact CG2-CG 4.39Å; I287-L291 WeakPolarHBondContact O-CB 3.45Å; I287-L291 WeakPolarHBondContact O-CG 3.45Å; I287-L291 PolarHBondContact O-N 2.79Å |
| 288 | I | 59.6 | Low | 63.7 | Low | 117 Ų | 117 | 75.8 Ų | 75.8 | 60% | 0.6 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -64.9 | -39.4 | 175.9 | -68.5 | 163.3 | 0 | 0 | 0 | 110.6 | L284 Q286 G292 | L284-I288 WeakPolarHBondContact O-CB 3.47Å; L284-I288 WeakPolarHBondContact O-CD1 3.24Å; L284-I288 WeakPolarHBondContact O-CG1 3.17Å; L284-I288 PolarHBondContact O-N 2.92Å; Q286-I288 PolarHBondContact O-N 3.32Å; I288-G292 PolarHBondContact O-N 3.37Å |
| 289 | S | 61.5 | Low | 65.7 | Low | 36 Ų | 36 | 77.5 Ų | 77.5 | 25% | 0.252 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 175.2 | -66.5 | 0 | 0 | 0 | 0 | 111.6 | S285 Q286 I287 G292 E293 | S285-S289 VanDerWaalsContact O-CB 3.24Å; S285-S289 WeakPolarHBondContact O-CB 3.21Å; S285-S289 PolarHBondContact O-N 2.87Å; S285-S289 PolarHBondContact O-OG 3.29Å; Q286-S289 WeakPolarHBondContact O-CB 3.44Å; Q286-S289 PolarHBondContact O-N 2.98Å; Q286-S289 VanDerWaalsContact O-N 3.15Å; I287-S289 VanDerWaalsContact C-N 3.33Å; S289-G292 PolarHBondContact O-N 3.29Å; S289-E293 PolarHBondContact O-N 3.16Å; S289-E293 VanDerWaalsContact O-N 3.16Å |
| 290 | D | 59.7 | Low | 67.6 | Low | 84 Ų | 84 | 73.2 Ų | 73.2 | 45% | 0.449 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -72.2 | -31.9 | -178.9 | -66.2 | -9.8 | 0 | 0 | 0 | 112 | K81 Q286 I287 | K81-D290 PolarHBondContact NZ-O 3.2Å; Q286-D290 WeakPolarHBondContact O-CB 3.38Å; Q286-D290 PolarHBondContact O-N 3.48Å; I287-D290 PolarHBondContact O-N 3.14Å |
| 291 | L | 55.9 | Low | 69.4 | Low | 108 Ų | 108 | 77.9 Ų | 77.9 | 57% | 0.565 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -69.5 | -35.9 | 172 | -75.3 | 170.1 | 0 | 0 | 0 | 111.8 | I287 | I287-L291 HydrophobicContact CG2-CD1 3.88Å; I287-L291 HydrophobicContact CG2-CG 4.39Å; I287-L291 WeakPolarHBondContact O-CB 3.45Å; I287-L291 WeakPolarHBondContact O-CG 3.45Å; I287-L291 PolarHBondContact O-N 2.79Å |
| 292 | G | 60.8 | Low | 71 | Confident | 42 Ų | 42 | 73.9 Ų | 73.9 | 43% | 0.433 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -74.2 | -24.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | I288 S289 M294 | I288-G292 PolarHBondContact O-N 3.37Å; S289-G292 PolarHBondContact O-N 3.29Å; G292-M294 PolarHBondContact O-N 3.31Å |
| 293 | E | 74.6 | Confident | 72.5 | Confident | 96 Ų | 96 | 67.9 Ų | 67.9 | 45% | 0.449 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -81.3 | 111.1 | -178.8 | -76.3 | -178.4 | -163.3 | 0 | 0 | 111.9 | K81 L192 K196 S289 S295 | K81-E293 PolarHBondContact NZ-O 2.89Å; L192-E293 HydrophobicContact CD2-CB 4.38Å; L192-E293 HydrophobicContact CD2-CG 3.35Å; K196-E293 IonicContact NZ-OE1 2.97Å; K196-E293 PolarHBondContact NZ-OE1 3.08Å; S289-E293 PolarHBondContact O-N 3.16Å; S289-E293 VanDerWaalsContact O-N 3.16Å; E293-S295 PolarHBondContact O-N 2.78Å |
| 294 | M | 82.6 | Confident | 73.9 | Confident | 14 Ų | 14 | 66.8 Ų | 66.8 | 7% | 0.069 | 37% | 0.37 | C | S | . | . | trans | -65.4 | 129.5 | 171.9 | -175.1 | 176.5 | 72 | 0 | 0 | 109.6 | I136 C139 L184 Y185 S188 G292 | I136-M294 HydrophobicContact CB-SD 4.07Å; I136-M294 HydrophobicContact CG2-CG 4.41Å; I136-M294 HydrophobicContact CG2-SD 3.49Å; I136-M294 WeakPolarHBondContact CG2-SD 3.49Å; C139-M294 HydrophobicContact CB-CE 4.48Å; C139-M294 HydrophobicContact CB-SD 4.39Å; L184-M294 HydrophobicContact CB-CE 4.39Å; L184-M294 HydrophobicContact CD2-CE 4.28Å; L184-M294 HydrophobicContact CD2-SD 4.26Å; L184-M294 HydrophobicContact CG-CE 3.74Å; L184-M294 HydrophobicContact CG-SD 4.19Å; L184-M294 WeakPolarHBondContact O-CE 3.39Å; Y185-M294 VanDerWaalsContact CA-CE 3.43Å; S188-M294 WeakPolarHBondContact OG-CE 3.37Å; G292-M294 PolarHBondContact O-N 3.31Å | ||
| 295 | S | 84.5 | Confident | 75.5 | Confident | 32 Ų | 32 | 65.3 Ų | 65.3 | 22% | 0.224 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 151 | 177.1 | 52.4 | 0 | 0 | 0 | 0 | 111.1 | K81 T137 Y138 C139 E293 | K81-S295 WeakPolarHBondContact CB-OG 3.26Å; K81-S295 WeakPolarHBondContact CD-OG 3.41Å; K81-S295 WeakPolarHBondContact CG-OG 3.46Å; T137-S295 PolarHBondContact O-N 2.81Å; T137-S295 PolarHBondContact O-OG 3.4Å; Y138-S295 VanDerWaalsContact CA-O 3.29Å; Y138-S295 WeakPolarHBondContact CA-O 3.5Å; Y138-S295 WeakPolarHBondContact CD2-O 3.24Å; Y138-S295 WeakPolarHBondContact CD2-OG 3.45Å; C139-S295 PolarHBondContact N-O 3.22Å; C139-S295 VanDerWaalsContact N-O 3.08Å; E293-S295 PolarHBondContact O-N 2.78Å |
| 296 | I | 88.5 | Confident | 76.8 | Confident | 29 Ų | 29 | 64 Ų | 64 | 15% | 0.149 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 131.9 | 178 | -177 | 166.5 | 0 | 0 | 0 | 109.2 | C139 A181 Y185 N298 V300 L303 | C139-I296 WeakPolarHBondContact O-CA 3.27Å; A181-I296 HydrophobicContact CB-CD1 4.41Å; Y185-I296 HydrophobicContact CD1-CG2 4.42Å; Y185-I296 HydrophobicContact CD2-CB 3.84Å; Y185-I296 HydrophobicContact CD2-CG2 3.69Å; Y185-I296 HydrophobicContact CE1-CG2 4.48Å; Y185-I296 HydrophobicContact CE2-CB 4.35Å; Y185-I296 HydrophobicContact CE2-CG2 3.76Å; Y185-I296 HydrophobicContact CG-CB 4.18Å; Y185-I296 HydrophobicContact CG-CD1 4.14Å; Y185-I296 HydrophobicContact CG-CG2 4.04Å; I296-N298 HydrophobicContact CD1-CB 4.43Å; I296-N298 HydrophobicContact CG1-CB 4.18Å; I296-N298 PolarHBondContact O-N 3.32Å; I296-V300 HydrophobicContact CG2-CG2 3.35Å; I296-L303 HydrophobicContact CD1-CD1 3.97Å |
| 297 | G | 83.1 | Confident | 77.8 | Confident | 33 Ų | 33 | 65.3 Ų | 65.3 | 34% | 0.34 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -77.3 | -7.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y138 C139 | Y138-G297 VanDerWaalsContact CE2-CA 3.45Å; Y138-G297 WeakPolarHBondContact OH-CA 3.48Å; C139-G297 PolarHBondContact O-N 3.14Å |
| 298 | N | 86.4 | Confident | 79.1 | Confident | 26 Ų | 26 | 67.6 Ų | 67.6 | 14% | 0.139 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -107.6 | 150.2 | -177.3 | -59.7 | 95 | 0 | 0 | 0 | 109.5 | V140 A141 I296 V300 L303 | V140-N298 WeakPolarHBondContact CA-OD1 3.5Å; V140-N298 WeakPolarHBondContact CG2-OD1 3.44Å; A141-N298 PolarHBondContact N-OD1 2.8Å; A141-N298 PolarHBondContact O-ND2 2.89Å; I296-N298 HydrophobicContact CD1-CB 4.43Å; I296-N298 HydrophobicContact CG1-CB 4.18Å; I296-N298 PolarHBondContact O-N 3.32Å; N298-V300 PolarHBondContact O-N 3.41Å; N298-V300 VanDerWaalsContact O-N 3.09Å; N298-L303 HydrophobicContact CB-CD1 3.5Å; N298-L303 VanDerWaalsContact CB-CD1 3.5Å; N298-L303 HydrophobicContact CB-CG 4.15Å |
| 299 | D | 88.4 | Confident | 80.3 | Confident | 89 Ų | 89 | 62 Ų | 62 | 48% | 0.476 | 35% | 0.346 | S | S | . | . | trans | -64.9 | 114.1 | 169.9 | 175.2 | 32.5 | 0 | 0 | 0 | 110.7 | Q301 T302 L303 | D299-Q301 VanDerWaalsContact C-N 3.26Å; D299-Q301 PolarHBondContact O-N 2.85Å; D299-Q301 PolarHBondContact OD1-N 2.79Å; D299-Q301 VanDerWaalsContact OD1-N 3.12Å; D299-T302 PolarHBondContact O-N 3.22Å; D299-T302 WeakPolarHBondContact OD2-CB 3.38Å; D299-T302 PolarHBondContact OD2-N 3.35Å; D299-T302 PolarHBondContact OD2-OG1 2.77Å; D299-L303 WeakPolarHBondContact O-CG 3.11Å; D299-L303 PolarHBondContact O-N 3.28Å | ||
| 300 | V | 86.8 | Confident | 81.4 | Confident | 21 Ų | 21 | 62.3 Ų | 62.3 | 13% | 0.127 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.3 | -35.5 | -178.9 | 179.3 | 0 | 0 | 0 | 0 | 111.1 | L182 Y185 I296 N298 L303 K304 | L182-V300 HydrophobicContact CD1-CG1 4.26Å; Y185-V300 HydrophobicContact CD1-CG1 4.3Å; Y185-V300 HydrophobicContact CD1-CG2 4.12Å; Y185-V300 HydrophobicContact CE1-CG1 3.94Å; Y185-V300 HydrophobicContact CE1-CG2 3.74Å; I296-V300 HydrophobicContact CG2-CG2 3.35Å; N298-V300 PolarHBondContact O-N 3.41Å; N298-V300 VanDerWaalsContact O-N 3.09Å; V300-L303 PolarHBondContact O-N 3.24Å; V300-K304 HydrophobicContact CG1-CD 3.93Å; V300-K304 VanDerWaalsContact CG1-CE 3.48Å; V300-K304 HydrophobicContact CG1-CG 4.36Å; V300-K304 WeakPolarHBondContact O-CB 3.45Å; V300-K304 VanDerWaalsContact O-CG 3.27Å; V300-K304 WeakPolarHBondContact O-CG 3.39Å; V300-K304 PolarHBondContact O-N 3.5Å |
| 301 | Q | 85.8 | Confident | 82.6 | Confident | 131 Ų | 131 | 65 Ų | 65 | 61% | 0.612 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -69.5 | -47 | -178.4 | -62 | -60.3 | -14.7 | 0 | 0 | 110.7 | D299 L303 K304 A305 | D299-Q301 VanDerWaalsContact C-N 3.26Å; D299-Q301 PolarHBondContact O-N 2.85Å; D299-Q301 PolarHBondContact OD1-N 2.79Å; D299-Q301 VanDerWaalsContact OD1-N 3.12Å; Q301-L303 VanDerWaalsContact C-N 3.31Å; Q301-L303 PolarHBondContact O-N 3.21Å; Q301-K304 PolarHBondContact O-N 3.5Å; Q301-A305 WeakPolarHBondContact O-CB 3.42Å; Q301-A305 PolarHBondContact O-N 3.11Å |
| 302 | T | 87.5 | Confident | 83.9 | Confident | 89 Ų | 89 | 61.9 Ų | 61.9 | 55% | 0.546 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.6 | -43.6 | 173.4 | -63.6 | 0 | 0 | 0 | 0 | 111.9 | D299 K304 A305 D306 | D299-T302 PolarHBondContact O-N 3.22Å; D299-T302 WeakPolarHBondContact OD2-CB 3.38Å; D299-T302 PolarHBondContact OD2-N 3.35Å; D299-T302 PolarHBondContact OD2-OG1 2.77Å; T302-K304 PolarHBondContact O-N 3.43Å; T302-A305 PolarHBondContact O-N 3.27Å; T302-D306 PolarHBondContact O-N 3.21Å |
| 303 | L | 87 | Confident | 84.9 | Confident | 7 Ų | 7 | 62.4 Ų | 62.4 | 4% | 0.037 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.2 | -37.7 | 177.9 | -73.6 | -178.5 | 0 | 0 | 0 | 113.1 | K178 L182 I296 N298 D299 V300 Q301 | K178-L303 HydrophobicContact CB-CD2 3.67Å; K178-L303 HydrophobicContact CD-CD2 3.89Å; K178-L303 HydrophobicContact CG-CD2 3.84Å; L182-L303 HydrophobicContact CB-CB 4.39Å; L182-L303 HydrophobicContact CB-CD1 4.27Å; L182-L303 HydrophobicContact CD1-CB 4.17Å; L182-L303 HydrophobicContact CD2-CB 4.15Å; L182-L303 HydrophobicContact CG-CB 4.47Å; I296-L303 HydrophobicContact CD1-CD1 3.97Å; N298-L303 HydrophobicContact CB-CD1 3.5Å; N298-L303 VanDerWaalsContact CB-CD1 3.5Å; N298-L303 HydrophobicContact CB-CG 4.15Å; D299-L303 WeakPolarHBondContact O-CG 3.11Å; D299-L303 PolarHBondContact O-N 3.28Å; V300-L303 PolarHBondContact O-N 3.24Å; Q301-L303 VanDerWaalsContact C-N 3.31Å; Q301-L303 PolarHBondContact O-N 3.21Å |
| 304 | K | 86.6 | Confident | 85 | Confident | 95 Ų | 95 | 62.3 Ų | 62.3 | 41% | 0.413 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -71.9 | -29.8 | 175.5 | -74.7 | 174.9 | 179 | 174 | 0 | 112.6 | L182 V300 Q301 T302 T310 | L182-K304 HydrophobicContact CD1-CG 4.01Å; L182-K304 HydrophobicContact CD2-CG 4.13Å; V300-K304 HydrophobicContact CG1-CD 3.93Å; V300-K304 VanDerWaalsContact CG1-CE 3.48Å; V300-K304 HydrophobicContact CG1-CG 4.36Å; V300-K304 WeakPolarHBondContact O-CB 3.45Å; V300-K304 VanDerWaalsContact O-CG 3.27Å; V300-K304 WeakPolarHBondContact O-CG 3.39Å; V300-K304 PolarHBondContact O-N 3.5Å; Q301-K304 PolarHBondContact O-N 3.5Å; T302-K304 PolarHBondContact O-N 3.43Å; K304-T310 WeakPolarHBondContact O-CG2 3.21Å |
| 305 | A | 86.7 | Confident | 84.2 | Confident | 74 Ų | 74 | 64.8 Ų | 64.8 | 61% | 0.612 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -79.4 | -24.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q301 T302 L307 | Q301-A305 WeakPolarHBondContact O-CB 3.42Å; Q301-A305 PolarHBondContact O-N 3.11Å; T302-A305 PolarHBondContact O-N 3.27Å; A305-L307 PolarHBondContact O-N 2.89Å |
| 306 | D | 87.4 | Confident | 82.9 | Confident | 31 Ų | 31 | 69.9 Ų | 69.9 | 17% | 0.166 | 39% | 0.385 | C | S | . | . | trans | -67.7 | 106.5 | 178.3 | -168.2 | -26.4 | 0 | 0 | 0 | 110.7 | T302 R308 V309 T310 | T302-D306 PolarHBondContact O-N 3.21Å; D306-R308 PolarHBondContact O-N 2.88Å; D306-R308 VanDerWaalsContact O-N 3.16Å; D306-R308 WeakPolarHBondContact OD1-CB 3.26Å; D306-R308 IonicContact OD1-CZ 3.82Å; D306-R308 PolarHBondContact OD1-N 3.34Å; D306-R308 IonicContact OD1-NE 3.66Å; D306-R308 PolarHBondContact OD1-NE 2.93Å; D306-R308 IonicContact OD1-NH2 3.71Å; D306-R308 IonicContact OD2-CZ 4Å; D306-R308 IonicContact OD2-NE 3.18Å; D306-R308 IonicContact OD2-NH2 3.87Å; D306-R308 PolarHBondContact OD2-NH2 2.8Å; D306-V309 HydrophobicContact CB-CB 4.13Å; D306-V309 HydrophobicContact CB-CG2 3.95Å; D306-V309 WeakPolarHBondContact O-CB 3.48Å; D306-V309 PolarHBondContact O-N 3.06Å; D306-T310 PolarHBondContact O-N 3.12Å; D306-T310 PolarHBondContact O-OG1 3.36Å | ||
| 307 | L | 83.4 | Confident | 80.8 | Confident | 139 Ų | 139 | 71.4 Ų | 71.4 | 73% | 0.728 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -57.7 | -28.7 | -179.8 | -65.6 | 176.7 | 0 | 0 | 0 | 113.2 | A305 T310 R311 | A305-L307 PolarHBondContact O-N 2.89Å; L307-T310 WeakPolarHBondContact CA-OG1 3.06Å; L307-T310 PolarHBondContact O-OG1 2.86Å; L307-R311 WeakPolarHBondContact O-CB 3.39Å; L307-R311 PolarHBondContact O-N 2.71Å |
| 308 | R | 84.3 | Confident | 79.1 | Confident | 127 Ų | 127 | 76.3 Ų | 76.3 | 48% | 0.479 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -72.7 | -36.6 | 178.9 | -57.1 | 172.4 | -63.9 | 174.6 | -0.7 | 110.8 | E175 D306 L312 | E175-R308 HydrophobicContact CB-CB 4.45Å; E175-R308 HydrophobicContact CG-CB 3.92Å; E175-R308 IonicContact OE1-CZ 3.71Å; E175-R308 IonicContact OE1-NH1 3.02Å; E175-R308 PolarHBondContact OE1-NH1 3.11Å; D306-R308 PolarHBondContact O-N 2.88Å; D306-R308 VanDerWaalsContact O-N 3.16Å; D306-R308 WeakPolarHBondContact OD1-CB 3.26Å; D306-R308 IonicContact OD1-CZ 3.82Å; D306-R308 PolarHBondContact OD1-N 3.34Å; D306-R308 IonicContact OD1-NE 3.66Å; D306-R308 PolarHBondContact OD1-NE 2.93Å; D306-R308 IonicContact OD1-NH2 3.71Å; D306-R308 IonicContact OD2-CZ 4Å; D306-R308 IonicContact OD2-NE 3.18Å; D306-R308 IonicContact OD2-NH2 3.87Å; D306-R308 PolarHBondContact OD2-NH2 2.8Å; R308-L312 VanDerWaalsContact O-CG 3.3Å; R308-L312 WeakPolarHBondContact O-CG 3.34Å; R308-L312 PolarHBondContact O-N 3.37Å |
| 309 | V | 84.3 | Confident | 76.8 | Confident | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -69.5 | -48.9 | 176.3 | 171.3 | 0 | 0 | 0 | 0 | 109.8 | K178 A179 L182 D306 R311 L312 L313 | K178-V309 HydrophobicContact CB-CG2 3.79Å; K178-V309 HydrophobicContact CD-CG2 4.5Å; A179-V309 HydrophobicContact CB-CG1 3.9Å; L182-V309 HydrophobicContact CD2-CG1 3.91Å; D306-V309 HydrophobicContact CB-CB 4.13Å; D306-V309 HydrophobicContact CB-CG2 3.95Å; D306-V309 WeakPolarHBondContact O-CB 3.48Å; D306-V309 PolarHBondContact O-N 3.06Å; V309-R311 PolarHBondContact O-N 2.98Å; V309-L312 WeakPolarHBondContact O-CB 3.49Å; V309-L312 PolarHBondContact O-N 3.38Å; V309-L313 HydrophobicContact CG1-CD1 4.35Å; V309-L313 WeakPolarHBondContact O-CG 3.36Å; V309-L313 PolarHBondContact O-N 3.11Å; V309-L313 VanDerWaalsContact O-N 3.15Å |
| 310 | T | 84.1 | Confident | 74.3 | Confident | 42 Ų | 42 | 79 Ų | 79 | 26% | 0.258 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.2 | -35.8 | -179.3 | 55.8 | 0 | 0 | 0 | 0 | 112.8 | K304 D306 L307 L312 L313 S314 | K304-T310 WeakPolarHBondContact O-CG2 3.21Å; D306-T310 PolarHBondContact O-N 3.12Å; D306-T310 PolarHBondContact O-OG1 3.36Å; L307-T310 WeakPolarHBondContact CA-OG1 3.06Å; L307-T310 PolarHBondContact O-OG1 2.86Å; T310-L312 VanDerWaalsContact C-N 3.34Å; T310-L312 PolarHBondContact O-N 2.99Å; T310-L313 PolarHBondContact O-N 3.31Å; T310-S314 WeakPolarHBondContact O-CB 3.48Å; T310-S314 PolarHBondContact O-N 3.48Å; T310-S314 PolarHBondContact O-OG 2.73Å |
| 311 | R | 84.9 | Confident | 72.2 | Confident | 140 Ų | 140 | 86.6 Ų | 86.6 | 53% | 0.528 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.4 | -40.1 | 173 | -174.4 | -179.4 | -90.5 | 149.2 | 0.9 | 112.4 | L307 V309 L313 S314 E316 | L307-R311 WeakPolarHBondContact O-CB 3.39Å; L307-R311 PolarHBondContact O-N 2.71Å; V309-R311 PolarHBondContact O-N 2.98Å; R311-L313 VanDerWaalsContact C-N 3.35Å; R311-S314 PolarHBondContact O-N 3.46Å; R311-E316 HydrophobicContact CG-CB 3.93Å; R311-E316 IonicContact CZ-OE1 2.63Å; R311-E316 IonicContact NE-OE1 3.69Å; R311-E316 PolarHBondContact NE-OE1 3.21Å; R311-E316 IonicContact NH2-OE1 3.06Å |
| 312 | L | 83.2 | Confident | 70 | Confident | 43 Ų | 43 | 84.5 Ų | 84.5 | 23% | 0.225 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -65.8 | -37.3 | 176.5 | -72.8 | 171.7 | 0 | 0 | 0 | 112.2 | E175 K176 A179 R308 V309 T310 | E175-L312 HydrophobicContact CB-CD1 3.84Å; K176-L312 HydrophobicContact CG-CD1 3.99Å; A179-L312 HydrophobicContact CB-CB 4.35Å; A179-L312 HydrophobicContact CB-CD1 4.4Å; R308-L312 VanDerWaalsContact O-CG 3.3Å; R308-L312 WeakPolarHBondContact O-CG 3.34Å; R308-L312 PolarHBondContact O-N 3.37Å; V309-L312 WeakPolarHBondContact O-CB 3.49Å; V309-L312 PolarHBondContact O-N 3.38Å; T310-L312 VanDerWaalsContact C-N 3.34Å; T310-L312 PolarHBondContact O-N 2.99Å |
| 313 | L | 82.8 | Confident | 67.7 | Low | 53 Ų | 53 | 84.8 Ų | 84.8 | 28% | 0.277 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -73.5 | -28.5 | 176.7 | -62.5 | 178.5 | 0 | 0 | 0 | 112.8 | A179 L182 L183 V309 T310 R311 G315 | A179-L313 HydrophobicContact CB-CD2 4.07Å; A179-L313 HydrophobicContact CB-CG 4.31Å; L182-L313 HydrophobicContact CD2-CD1 3.88Å; L182-L313 HydrophobicContact CG-CD1 4.33Å; L183-L313 HydrophobicContact CB-CD2 3.84Å; L183-L313 HydrophobicContact CD1-CD2 4.33Å; L183-L313 HydrophobicContact CD2-CD2 4.35Å; L183-L313 HydrophobicContact CG-CD2 4.39Å; V309-L313 HydrophobicContact CG1-CD1 4.35Å; V309-L313 WeakPolarHBondContact O-CG 3.36Å; V309-L313 PolarHBondContact O-N 3.11Å; V309-L313 VanDerWaalsContact O-N 3.15Å; T310-L313 PolarHBondContact O-N 3.31Å; R311-L313 VanDerWaalsContact C-N 3.35Å; L313-G315 VanDerWaalsContact C-N 3.27Å; L313-G315 PolarHBondContact O-N 2.91Å |
| 314 | S | 77 | Confident | 65.7 | Low | 94 Ų | 94 | 90.3 Ų | 90.3 | 66% | 0.657 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -2.5 | -178.8 | -53.4 | 0 | 0 | 0 | 0 | 113.9 | T310 R311 E316 | T310-S314 WeakPolarHBondContact O-CB 3.48Å; T310-S314 PolarHBondContact O-N 3.48Å; T310-S314 PolarHBondContact O-OG 2.73Å; R311-S314 PolarHBondContact O-N 3.46Å; S314-E316 VanDerWaalsContact C-N 3.31Å; S314-E316 PolarHBondContact O-N 3.37Å |
| 315 | G | 66.1 | Low | 63.3 | Low | 65 Ų | 65 | 93.9 Ų | 93.9 | 67% | 0.67 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.4 | 10.4 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | L313 S317 | L313-G315 VanDerWaalsContact C-N 3.27Å; L313-G315 PolarHBondContact O-N 2.91Å; G315-S317 VanDerWaalsContact C-N 3.25Å; G315-S317 PolarHBondContact O-N 3.25Å |
| 316 | E | 57.5 | Low | 60.9 | Low | 139 Ų | 139 | 95.2 Ų | 95.2 | 65% | 0.65 | 55% | 0.552 | S | S | * | * | trans | -78.7 | -2.2 | -176.6 | -165.3 | 177.5 | 97.5 | 0 | 0 | 113.2 | R311 S314 | R311-E316 HydrophobicContact CG-CB 3.93Å; R311-E316 IonicContact CZ-OE1 2.63Å; R311-E316 IonicContact NE-OE1 3.69Å; R311-E316 PolarHBondContact NE-OE1 3.21Å; R311-E316 IonicContact NH2-OE1 3.06Å; S314-E316 VanDerWaalsContact C-N 3.31Å; S314-E316 PolarHBondContact O-N 3.37Å | ||
| 317 | S | 43.8 | Very low | 58.4 | Low | 62 Ų | 62 | 101.4 Ų | 101.4 | 43% | 0.434 | 59% | 0.586 | S | S | . | * | trans | -152.4 | 84.4 | -172.7 | -177.5 | 0 | 0 | 0 | 0 | 114.8 | G315 | G315-S317 VanDerWaalsContact C-N 3.25Å; G315-S317 PolarHBondContact O-N 3.25Å | ||
| 318 | T | 46.7 | Very low | 56.1 | Low | 135 Ų | 135 | 103.4 Ų | 103.4 | 83% | 0.828 | 59% | 0.591 | S | S | * | * | trans | -139.8 | 46.8 | 152.4 | 63.2 | 0 | 0 | 0 | 0 | 111.9 | S320 | T318-S320 VanDerWaalsContact C-N 3.27Å; T318-S320 PolarHBondContact O-N 3.38Å | ||
| 319 | G | 38.2 | Very low | 53.7 | Low | 75 Ų | 75 | 105.7 Ų | 105.7 | 77% | 0.773 | 61% | 0.608 | S | S | * | * | trans | -88.9 | 64.1 | 159.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 320 | S | 37 | Very low | 51.3 | Low | 97 Ų | 97 | 111.4 Ų | 111.4 | 68% | 0.678 | 65% | 0.645 | S | S | * | * | trans | -168.4 | 88.3 | 167.2 | -66.5 | 0 | 0 | 0 | 0 | 108.7 | T318 S322 | T318-S320 VanDerWaalsContact C-N 3.27Å; T318-S320 PolarHBondContact O-N 3.38Å; S320-S322 PolarHBondContact O-N 3.16Å; S320-S322 VanDerWaalsContact O-N 3.11Å | ||
| 321 | E | 42.1 | Very low | 48.9 | Very low | 181 Ų | 181 | 116.7 Ų | 116.7 | 85% | 0.846 | 67% | 0.669 | S | S | * | * | trans | -42.2 | 107 | 146.4 | 53 | -147.1 | 92.9 | 0 | 0 | 110.3 | S323 | E321-S323 PolarHBondContact O-N 3.16Š| ||
| 322 | S | 38.7 | Very low | 46.3 | Very low | 86 Ų | 86 | 115.1 Ų | 115.1 | 60% | 0.601 | 68% | 0.68 | S | S | * | * | trans | -92.3 | 87.4 | 169.3 | 63 | 0 | 0 | 0 | 0 | 107.7 | S320 I324 | S320-S322 PolarHBondContact O-N 3.16Å; S320-S322 VanDerWaalsContact O-N 3.11Å; S322-I324 PolarHBondContact O-N 3.14Å | ||
| 323 | S | 39.6 | Very low | 44 | Very low | 96 Ų | 96 | 119.6 Ų | 119.6 | 67% | 0.671 | 71% | 0.709 | S | S | * | * | trans | -51 | 116.7 | 163.1 | -61.8 | 0 | 0 | 0 | 0 | 108.7 | E321 E325 | E321-S323 PolarHBondContact O-N 3.16Å; S323-E325 VanDerWaalsContact C-N 3.27Å; S323-E325 PolarHBondContact O-N 3.42Å | ||
| 324 | I | 44.8 | Very low | 41.7 | Very low | 122 Ų | 122 | 121.3 Ų | 121.3 | 63% | 0.626 | 73% | 0.725 | S | S | * | * | trans | -83.3 | 85.9 | 161 | 62.6 | 108.6 | 0 | 0 | 0 | 105.1 | S322 | S322-I324 PolarHBondContact O-N 3.14Š| ||
| 325 | E | 37.6 | Very low | 39.6 | Very low | 171 Ų | 171 | 124.6 Ų | 124.6 | 80% | 0.799 | 74% | 0.736 | S | S | * | * | trans | -85.5 | 115.5 | 174 | -157.4 | 161.8 | -163.1 | 0 | 0 | 107.5 | S323 N327 | S323-E325 VanDerWaalsContact C-N 3.27Å; S323-E325 PolarHBondContact O-N 3.42Å; E325-N327 PolarHBondContact O-N 3.23Å | ||
| 326 | S | 36 | Very low | 38 | Very low | 101 Ų | 101 | 124.8 Ų | 124.8 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | trans | -65.9 | 111.3 | 174 | -69.5 | 0 | 0 | 0 | 0 | 108.7 | Q328 | S326-Q328 VanDerWaalsContact C-N 3.31Å; S326-Q328 PolarHBondContact O-N 2.96Å | ||
| 327 | N | 33.9 | Very low | 36.8 | Very low | 161 Ų | 161 | 125.5 Ų | 125.5 | 86% | 0.861 | 75% | 0.745 | S | S | * | * | trans | -67.3 | 93.2 | 160.4 | -82.6 | -34.4 | 0 | 0 | 0 | 108.7 | E325 | E325-N327 PolarHBondContact O-N 3.23Š| ||
| 328 | Q | 36.4 | Very low | 36.3 | Very low | 181 Ų | 181 | 129.9 Ų | 129.9 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | trans | -112.8 | 100.6 | 151.2 | -94.5 | 179 | 10.3 | 0 | 0 | 106.2 | S326 P330 | S326-Q328 VanDerWaalsContact C-N 3.31Å; S326-Q328 PolarHBondContact O-N 2.96Å; Q328-P330 VanDerWaalsContact O-CD 3.31Å; Q328-P330 WeakPolarHBondContact O-CD 3.31Å | ||
| 329 | E | 32.6 | Very low | 35.7 | Very low | 176 Ų | 176 | 132.4 Ų | 132.4 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | trans | -70.4 | 122.1 | 162.6 | -70.8 | -177.8 | 149.1 | 0 | 0 | 108.3 | ||||
| 330 | P | 34.5 | Very low | 35.4 | Very low | 120 Ų | 120 | 132.7 Ų | 132.7 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | trans | -87.1 | 112 | 160.1 | 30.6 | -23 | 0 | 0 | 0 | 108.2 | Q328 S332 | Q328-P330 VanDerWaalsContact O-CD 3.31Å; Q328-P330 WeakPolarHBondContact O-CD 3.31Å; P330-S332 PolarHBondContact O-N 3.47Å | ||
| 331 | I | 32.6 | Very low | 35.4 | Very low | 152 Ų | 152 | 137.8 Ų | 137.8 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | trans | -65.7 | 103.8 | 166.8 | -64.8 | 166.9 | 0 | 0 | 0 | 107.4 | V333 | I331-V333 HydrophobicContact CG2-CG2 4.11Å; I331-V333 PolarHBondContact O-N 3Å | ||
| 332 | S | 31.9 | Very low | 35.1 | Very low | 107 Ų | 107 | 136.3 Ų | 136.3 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | -70.9 | 113.7 | 166.4 | 54.7 | 0 | 0 | 0 | 0 | 109.3 | P330 | P330-S332 PolarHBondContact O-N 3.47Š| ||
| 333 | V | 34.3 | Very low | 35 | Very low | 138 Ų | 138 | 139.7 Ų | 139.7 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | trans | -100.9 | 110.4 | 165.5 | -170.2 | 0 | 0 | 0 | 0 | 107.2 | I331 | I331-V333 HydrophobicContact CG2-CG2 4.11Å; I331-V333 PolarHBondContact O-N 3Å | ||
| 334 | S | 34.3 | Very low | 34.8 | Very low | 89 Ų | 89 | 142.3 Ų | 142.3 | 62% | 0.622 | 78% | 0.777 | S | S | * | * | trans | -116.9 | 127.3 | 173.7 | 58.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 335 | N | 33.3 | Very low | 34.7 | Very low | 163 Ų | 163 | 143 Ų | 143 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | trans | 64.3 | 130.4 | 155.7 | -54.4 | -12.4 | 0 | 0 | 0 | 116.5 | ||||
| 336 | G | 31.4 | Very low | 35 | Very low | 68 Ų | 68 | 143.6 Ų | 143.6 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | cis | 113.9 | 104.7 | 24.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 337 | L | 32.3 | Very low | 35 | Very low | 155 Ų | 155 | 145.7 Ų | 145.7 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | trans | 161.9 | 138.1 | 134.1 | -114.1 | 80.5 | 0 | 0 | 0 | 114 | ||||
| 338 | E | 33.5 | Very low | 35.1 | Very low | 154 Ų | 154 | 144.9 Ų | 144.9 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | trans | 76.2 | 117.6 | 142.4 | -78.4 | -175.5 | 166.5 | 0 | 0 | 125 | ||||
| 339 | E | 34.6 | Very low | 35 | Very low | 187 Ų | 187 | 142.9 Ų | 142.9 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | 56.4 | 124.7 | 132.5 | -69.2 | -164.3 | 150.9 | 0 | 0 | 122.5 | ||||
| 340 | G | 32.9 | Very low | 35.1 | Very low | 82 Ų | 82 | 140.9 Ų | 140.9 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | -178.2 | 98.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 341 | K | 36.6 | Very low | 35.2 | Very low | 203 Ų | 203 | 142.3 Ų | 142.3 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | trans | -76.6 | 165.7 | 179.5 | -161.4 | 177.6 | -175.8 | -179.8 | 0 | 111.8 | ||||
| 342 | M | 35.8 | Very low | 35.3 | Very low | 151 Ų | 151 | 141.6 Ų | 141.6 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | trans | 100.8 | 113.5 | 164 | -63.5 | 178.6 | 80.3 | 0 | 0 | 115.9 | ||||
| 343 | Q | 35.7 | Very low | 35.6 | Very low | 156 Ų | 156 | 144.1 Ų | 144.1 | 73% | 0.729 | 81% | 0.809 | S | S | * | * | 70.6 | 119.4 | 93 | -114.4 | 173.3 | -15.3 | 0 | 0 | 110 | |||||
| 344 | E | 34.8 | Very low | 35.7 | Very low | 152 Ų | 152 | 144.5 Ų | 144.5 | 71% | 0.71 | 81% | 0.807 | S | S | * | * | 179.9 | 151.8 | 61.5 | -106.9 | -174 | 146.2 | 0 | 0 | 110.4 | |||||
| 345 | I | 42.8 | Very low | 35.8 | Very low | 135 Ų | 135 | 149.2 Ų | 149.2 | 69% | 0.692 | 82% | 0.822 | S | S | * | * | trans | 53.8 | 114 | 137.5 | -46 | 159.8 | 0 | 0 | 0 | 118.8 | ||||
| 346 | S | 45.8 | Very low | 36 | Very low | 184 Ų | 184 | 147.9 Ų | 147.9 | 100% | 1.287 | 82% | 0.818 | S | S | * | * | -175.5 | 0 | 81.9 | -156.2 | 0 | 0 | 0 | 0 | 112.7 |
Retrieved 346 of 346 residues in 1612.7 ms
(Link to these results)