| 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 | 59.9 | Low | 58.3 | Low | 246 Ų | 246 | 158.9 Ų | 158.9 | 100% | 1.212 | 87% | 0.867 | S | S | * | * | 0 | 108.4 | 0 | -88.3 | 168.4 | 169.6 | 0 | 0 | 108.3 | |||||
| 2 | A | 48.9 | Very low | 58.5 | Low | 103 Ų | 103 | 162.4 Ų | 162.4 | 85% | 0.851 | 86% | 0.86 | S | S | * | * | trans | -85.1 | 128.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | S4 | A2-S4 PolarHBondContact O-N 3.28Š| ||
| 3 | M | 58.9 | Low | 59.2 | Low | 192 Ų | 192 | 159.4 Ų | 159.4 | 95% | 0.946 | 85% | 0.852 | S | S | * | * | trans | -82.5 | 104.8 | 175 | -61.7 | -161.2 | 83.6 | 0 | 0 | 108.7 | S5 | M3-S5 PolarHBondContact O-N 3.28Š| ||
| 4 | S | 54.7 | Low | 59.8 | Low | 112 Ų | 112 | 156.7 Ų | 156.7 | 78% | 0.783 | 84% | 0.837 | S | S | * | * | trans | -67.8 | 119.7 | 177.6 | -166 | 0 | 0 | 0 | 0 | 110.5 | A2 Y6 | A2-S4 PolarHBondContact O-N 3.28Å; S4-Y6 PolarHBondContact O-N 3.24Å | ||
| 5 | S | 53.2 | Low | 60.2 | Low | 114 Ų | 114 | 151 Ų | 151 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | trans | -84.5 | 103.1 | 178 | 56.8 | 0 | 0 | 0 | 0 | 110.7 | M3 M7 | M3-S5 PolarHBondContact O-N 3.28Å; S5-M7 PolarHBondContact O-N 2.93Å | ||
| 6 | Y | 59.9 | Low | 61.2 | Low | 212 Ų | 212 | 153.2 Ų | 153.2 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | trans | -90.1 | 90.1 | 167.8 | 64.2 | -82.7 | 0 | 0 | 0 | 109.6 | S4 | S4-Y6 PolarHBondContact O-N 3.24Š| ||
| 7 | M | 67.2 | Low | 61.4 | Low | 186 Ų | 186 | 153.9 Ų | 153.9 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | trans | -136.4 | 60.3 | 155.9 | -73.6 | -162.9 | 68.5 | 0 | 0 | 107.9 | S5 | S5-M7 PolarHBondContact O-N 2.93Š| ||
| 8 | V | 62.8 | Low | 62.1 | Low | 130 Ų | 130 | 150.7 Ų | 150.7 | 79% | 0.788 | 80% | 0.797 | S | S | * | * | trans | -117.4 | 121.2 | 169.1 | 113.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 9 | N | 55.5 | Low | 62.2 | Low | 149 Ų | 149 | 147.3 Ų | 147.3 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | 84.3 | 55.1 | 171.1 | -62.6 | 41.9 | 0 | 0 | 0 | 118 | ||||
| 10 | S | 57.9 | Low | 61.7 | Low | 111 Ų | 111 | 145.8 Ų | 145.8 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | -89.2 | 104.6 | 144.3 | -133.7 | 0 | 0 | 0 | 0 | 108 | Y12 | S10-Y12 PolarHBondContact O-N 2.97Š| ||
| 11 | K | 62.7 | Low | 61.5 | Low | 193 Ų | 193 | 146.1 Ų | 146.1 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | trans | -64.6 | 87.8 | 166.2 | 49.3 | -156.7 | 170.4 | -171 | 0 | 107.6 | V13 | K11-V13 VanDerWaalsContact C-N 3.3Å; K11-V13 PolarHBondContact O-N 2.97Å | ||
| 12 | Y | 60.2 | Low | 61.2 | Low | 201 Ų | 201 | 141.4 Ų | 141.4 | 79% | 0.788 | 76% | 0.756 | S | S | * | * | trans | -68.2 | 92.9 | 177.8 | -156.3 | -88.7 | 0 | 0 | 0 | 107 | S10 D14 | S10-Y12 PolarHBondContact O-N 2.97Å; Y12-D14 PolarHBondContact O-N 2.85Å; Y12-D14 VanDerWaalsContact O-N 3.15Å | ||
| 13 | V | 68.1 | Low | 61.4 | Low | 123 Ų | 123 | 147.1 Ų | 147.1 | 75% | 0.745 | 76% | 0.757 | S | S | * | * | trans | -72.2 | 105.1 | 167.8 | -178.8 | 0 | 0 | 0 | 0 | 105.1 | K11 P15 | K11-V13 VanDerWaalsContact C-N 3.3Å; K11-V13 PolarHBondContact O-N 2.97Å; V13-P15 WeakPolarHBondContact O-CD 3.46Å | ||
| 14 | D | 67.4 | Low | 61.3 | Low | 122 Ų | 122 | 144.9 Ų | 144.9 | 65% | 0.652 | 75% | 0.749 | S | S | * | * | trans | -56.3 | 117.5 | 172 | -171.5 | 24.5 | 0 | 0 | 0 | 107.7 | Y12 K16 | Y12-D14 PolarHBondContact O-N 2.85Å; Y12-D14 VanDerWaalsContact O-N 3.15Å; D14-K16 PolarHBondContact O-N 3.39Å | ||
| 15 | P | 66 | Low | 61.3 | Low | 71 Ų | 71 | 147 Ų | 147 | 46% | 0.461 | 75% | 0.746 | S | S | . | * | trans | -61.1 | 105.3 | 176.9 | 22.8 | -30.1 | 0 | 0 | 0 | 107.9 | V13 F17 | V13-P15 WeakPolarHBondContact O-CD 3.46Å; P15-F17 VanDerWaalsContact C-N 3.29Å; P15-F17 HydrophobicContact CB-CE2 4.31Å; P15-F17 HydrophobicContact CG-CE2 3.97Å; P15-F17 HydrophobicContact CG-CZ 4.43Å; P15-F17 WeakPolarHBondContact O-CD2 3.33Å; P15-F17 PolarHBondContact O-N 3.32Å | ||
| 16 | K | 76.5 | Confident | 60.6 | Low | 186 Ų | 186 | 147.6 Ų | 147.6 | 81% | 0.809 | 74% | 0.74 | S | S | * | * | trans | -64.9 | 92.1 | 174.4 | -174.4 | 76.2 | 177.3 | 176.5 | 0 | 107.6 | D14 | D14-K16 PolarHBondContact O-N 3.39Š| ||
| 17 | F | 63.7 | Low | 60 | Low | 166 Ų | 166 | 143.2 Ų | 143.2 | 73% | 0.728 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 130.2 | 170.4 | -71.8 | -83.9 | 0 | 0 | 0 | 108.2 | P15 | P15-F17 VanDerWaalsContact C-N 3.29Å; P15-F17 HydrophobicContact CB-CE2 4.31Å; P15-F17 HydrophobicContact CG-CE2 3.97Å; P15-F17 HydrophobicContact CG-CZ 4.43Å; P15-F17 WeakPolarHBondContact O-CD2 3.33Å; P15-F17 PolarHBondContact O-N 3.32Å |
| 18 | P | 73.8 | Confident | 59.1 | Low | 95 Ų | 95 | 144.3 Ų | 144.3 | 62% | 0.617 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -52 | 135.5 | 173.9 | -24.1 | 32.5 | 0 | 0 | 0 | 109.6 | C20 | P18-C20 PolarHBondContact O-N 3.32Š|
| 19 | P | 64.7 | Low | 58.4 | Low | 87 Ų | 87 | 146.1 Ų | 146.1 | 57% | 0.565 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 131.9 | 171.8 | -21.6 | 31.7 | 0 | 0 | 0 | 109.9 | E21 E22 | P19-E21 PolarHBondContact O-N 3.36Å; P19-E22 PolarHBondContact O-N 3.14Å |
| 20 | C | 51.2 | Low | 57.8 | Low | 116 Ų | 116 | 143.4 Ų | 143.4 | 78% | 0.784 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -58.3 | -12.9 | -179.3 | -71.7 | 0 | 0 | 0 | 0 | 114.3 | P18 E22 Y23 | P18-C20 PolarHBondContact O-N 3.32Å; C20-E22 VanDerWaalsContact C-N 3.3Å; C20-E22 PolarHBondContact O-N 3.34Å; C20-Y23 PolarHBondContact O-N 3.28Å |
| 21 | E | 58.5 | Low | 57.4 | Low | 154 Ų | 154 | 147.4 Ų | 147.4 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -61.1 | -33.9 | 179.5 | -69.8 | -75.8 | 136.9 | 0 | 0 | 112.7 | P19 Y23 L24 | P19-E21 PolarHBondContact O-N 3.36Å; E21-Y23 PolarHBondContact O-N 3.08Å; E21-L24 PolarHBondContact O-N 3.15Å |
| 22 | E | 53.9 | Low | 56.7 | Low | 147 Ų | 147 | 147.3 Ų | 147.3 | 69% | 0.687 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -73.4 | -13 | -179.1 | -88.2 | -170 | 135.9 | 0 | 0 | 113.9 | P19 C20 L24 Q25 | P19-E22 PolarHBondContact O-N 3.14Å; C20-E22 VanDerWaalsContact C-N 3.3Å; C20-E22 PolarHBondContact O-N 3.34Å; E22-L24 VanDerWaalsContact C-N 3.29Å; E22-L24 PolarHBondContact O-N 3.38Å; E22-Q25 PolarHBondContact O-N 3.02Å |
| 23 | Y | 52.2 | Low | 55.8 | Low | 222 Ų | 222 | 140.3 Ų | 140.3 | 87% | 0.871 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -79.1 | -13.9 | 177.3 | -125 | -86.4 | 0 | 0 | 0 | 113.4 | C20 E21 | C20-Y23 PolarHBondContact O-N 3.28Å; E21-Y23 PolarHBondContact O-N 3.08Å |
| 24 | L | 57.1 | Low | 54.9 | Low | 146 Ų | 146 | 140.5 Ų | 140.5 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -88.3 | -13.6 | 173.8 | -87.5 | 153.4 | 0 | 0 | 0 | 112.9 | E21 E22 | E21-L24 PolarHBondContact O-N 3.15Å; E22-L24 VanDerWaalsContact C-N 3.29Å; E22-L24 PolarHBondContact O-N 3.38Å |
| 25 | Q | 53.7 | Low | 53.8 | Low | 155 Ų | 155 | 142.9 Ų | 142.9 | 72% | 0.724 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -90.8 | -7.3 | -173.5 | -152 | 66.3 | 9.8 | 0 | 0 | 114 | E22 S27 | E22-Q25 PolarHBondContact O-N 3.02Å; Q25-S27 PolarHBondContact O-N 3.3Å |
| 26 | N | 39 | Very low | 52.9 | Low | 127 Ų | 127 | 149 Ų | 149 | 68% | 0.679 | 77% | 0.766 | S | S | * | * | trans | -89.7 | 96.5 | 169.7 | -87.7 | 23.1 | 0 | 0 | 0 | 109.9 | Y28 | N26-Y28 PolarHBondContact O-N 3.07Š| ||
| 27 | S | 48.3 | Very low | 51.5 | Low | 120 Ų | 120 | 150.6 Ų | 150.6 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | trans | -56.1 | 67.5 | 160.9 | -46.6 | 0 | 0 | 0 | 0 | 111.4 | Q25 | Q25-S27 PolarHBondContact O-N 3.3Š| ||
| 28 | Y | 47.9 | Very low | 50.3 | Low | 210 Ų | 210 | 147.1 Ų | 147.1 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | trans | -113.1 | 23.9 | 174.1 | -130.2 | -85 | 0 | 0 | 0 | 111.7 | N26 | N26-Y28 PolarHBondContact O-N 3.07Š| ||
| 29 | L | 47.5 | Very low | 49.2 | Very low | 167 Ų | 167 | 147.7 Ų | 147.7 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -107.8 | 98 | 154.4 | -71.9 | 178.4 | 0 | 0 | 0 | 106.5 | E31 | L29-E31 PolarHBondContact O-N 3.41Š|
| 30 | A | 42.5 | Very low | 48.1 | Very low | 93 Ų | 93 | 148.6 Ų | 148.6 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -51.6 | 123.7 | 160.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | Q32 | A30-Q32 PolarHBondContact O-N 3.17Š| ||
| 31 | E | 50.6 | Low | 48 | Very low | 194 Ų | 194 | 152.6 Ų | 152.6 | 91% | 0.907 | 79% | 0.793 | S | S | * | * | trans | -42.8 | 100.2 | 168.2 | -168.9 | -165.8 | 147.2 | 0 | 0 | 110.4 | L29 | L29-E31 PolarHBondContact O-N 3.41Š| ||
| 32 | Q | 47.1 | Very low | 46.9 | Very low | 191 Ų | 191 | 148.4 Ų | 148.4 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | trans | -128.2 | 99.3 | 157.4 | -80.1 | -154.9 | 21.6 | 0 | 0 | 108.4 | A30 | A30-Q32 PolarHBondContact O-N 3.17Š| ||
| 33 | G | 42.2 | Very low | 46.5 | Very low | 55 Ų | 55 | 146.8 Ų | 146.8 | 57% | 0.567 | 80% | 0.796 | S | S | * | * | trans | 65.3 | 81.2 | 147.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | E35 | G33-E35 PolarHBondContact O-N 3.25Š| ||
| 34 | S | 49.5 | Very low | 46.2 | Very low | 127 Ų | 127 | 143.1 Ų | 143.1 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 38.9 | 159 | 80.7 | 0 | 0 | 0 | 0 | 112.6 | ||
| 35 | E | 43.4 | Very low | 45.5 | Very low | 172 Ų | 172 | 144.8 Ų | 144.8 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.7 | -1.1 | 174.8 | -72.3 | -169 | 114.4 | 0 | 0 | 112.8 | G33 Y37 | G33-E35 PolarHBondContact O-N 3.25Å; E35-Y37 VanDerWaalsContact C-N 3.33Å; E35-Y37 PolarHBondContact O-N 2.86Å |
| 36 | Y | 48.1 | Very low | 45.3 | Very low | 199 Ų | 199 | 146.1 Ų | 146.1 | 78% | 0.78 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -15.5 | -175.5 | -163.3 | -101.8 | 0 | 0 | 0 | 114.8 | ||
| 37 | Y | 45.7 | Very low | 45.4 | Very low | 219 Ų | 219 | 147.9 Ų | 147.9 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131 | 51.9 | 174.3 | -81.7 | -81.6 | 0 | 0 | 0 | 111.4 | E35 | E35-Y37 VanDerWaalsContact C-N 3.33Å; E35-Y37 PolarHBondContact O-N 2.86Å |
| 38 | S | 40.3 | Very low | 44.8 | Very low | 93 Ų | 93 | 150.9 Ų | 150.9 | 65% | 0.65 | 80% | 0.804 | S | S | * | * | trans | -100.2 | 104.3 | 161.6 | -154.9 | 0 | 0 | 0 | 0 | 108.9 | S40 | S38-S40 VanDerWaalsContact C-N 3.31Å; S38-S40 PolarHBondContact O-N 3.35Å | ||
| 39 | A | 49.5 | Very low | 44.4 | Very low | 107 Ų | 107 | 144.4 Ų | 144.4 | 88% | 0.884 | 80% | 0.801 | S | S | * | * | trans | -76.7 | 84.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 40 | S | 42.5 | Very low | 44.4 | Very low | 106 Ų | 106 | 143.3 Ų | 143.3 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | -92.4 | 111.6 | 169.5 | 52.1 | 0 | 0 | 0 | 0 | 110.1 | S38 | S38-S40 VanDerWaalsContact C-N 3.31Å; S38-S40 PolarHBondContact O-N 3.35Å | ||
| 41 | Q | 49.3 | Very low | 44.5 | Very low | 201 Ų | 201 | 148.7 Ų | 148.7 | 94% | 0.939 | 80% | 0.797 | S | S | * | * | trans | -59.6 | 136.7 | 162 | -66.2 | -177.8 | 15.6 | 0 | 0 | 109.7 | ||||
| 42 | G | 35.1 | Very low | 44.6 | Very low | 65 Ų | 65 | 145.4 Ų | 145.4 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | trans | 157 | 101.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 43 | S | 44.9 | Very low | 44.3 | Very low | 113 Ų | 113 | 147.7 Ų | 147.7 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | 53.2 | 122.2 | 143.6 | 50.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 44 | D | 46.6 | Very low | 44.4 | Very low | 145 Ų | 145 | 150.1 Ų | 150.1 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | trans | 58.3 | 94 | 146.4 | -86.9 | -71.7 | 0 | 0 | 0 | 119 | ||||
| 45 | F | 41.8 | Very low | 44.2 | Very low | 181 Ų | 181 | 151.9 Ų | 151.9 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | -146.9 | 102.3 | 145.7 | -131.6 | -95.1 | 0 | 0 | 0 | 110.8 | H47 | F45-H47 AromaticContact CD1-CD2 3.83Å; F45-H47 AromaticContact CD1-NE2 3.72Å; F45-H47 AromaticContact CE1-NE2 3.97Å; F45-H47 PolarHBondContact O-N 2.89Å | ||
| 46 | Q | 50.3 | Low | 44 | Very low | 183 Ų | 183 | 154.2 Ų | 154.2 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | trans | -59.2 | 117.9 | 165.7 | -84.9 | 176.5 | -46.4 | 0 | 0 | 109.4 | ||||
| 47 | H | 39.3 | Very low | 43.9 | Very low | 165 Ų | 165 | 149.7 Ų | 149.7 | 76% | 0.764 | 80% | 0.801 | S | S | * | * | trans | -111.8 | 115.8 | 159.3 | -95.9 | -73.6 | 0 | 0 | 0 | 110.1 | F45 G49 | F45-H47 AromaticContact CD1-CD2 3.83Å; F45-H47 AromaticContact CD1-NE2 3.72Å; F45-H47 AromaticContact CE1-NE2 3.97Å; F45-H47 PolarHBondContact O-N 2.89Å; H47-G49 PolarHBondContact O-N 3.29Å | ||
| 48 | Q | 37.3 | Very low | 43.8 | Very low | 182 Ų | 182 | 148.2 Ų | 148.2 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | trans | -57.1 | 128.5 | 173.5 | -64.5 | -174.8 | 2.2 | 0 | 0 | 110.4 | ||||
| 49 | G | 39.6 | Very low | 44.3 | Very low | 75 Ų | 75 | 147.6 Ų | 147.6 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -73.7 | 126.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | H47 | H47-G49 PolarHBondContact O-N 3.29Š| ||
| 50 | I | 46.9 | Very low | 43.9 | Very low | 144 Ų | 144 | 148.6 Ų | 148.6 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | trans | -98.5 | 26 | 177.4 | -60.6 | 172.4 | 0 | 0 | 0 | 111.3 | ||||
| 51 | Y | 44.4 | Very low | 43.6 | Very low | 206 Ų | 206 | 152.7 Ų | 152.7 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | trans | -134.3 | 116.1 | 174.5 | -39.9 | -71.9 | 0 | 0 | 0 | 111 | R53 | Y51-R53 PolarHBondContact O-N 3.49Å; Y51-R53 VanDerWaalsContact O-N 3.08Å | ||
| 52 | P | 52 | Low | 43 | Very low | 125 Ų | 125 | 148 Ų | 148 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | trans | -69.1 | 103.8 | 164.6 | -10.2 | 25.6 | 0 | 0 | 0 | 108.3 | S54 | P52-S54 PolarHBondContact O-N 3.08Å; P52-S54 VanDerWaalsContact O-N 3.14Å | ||
| 53 | R | 41.3 | Very low | 43.1 | Very low | 238 Ų | 238 | 151 Ų | 151 | 90% | 0.898 | 80% | 0.797 | S | S | * | * | trans | -71.2 | 101.1 | 166.1 | -165.4 | -175.1 | -170 | -148.4 | 2.7 | 106.8 | Y51 N55 | Y51-R53 PolarHBondContact O-N 3.49Å; Y51-R53 VanDerWaalsContact O-N 3.08Å; R53-N55 PolarHBondContact O-N 2.88Å | ||
| 54 | S | 44.4 | Very low | 42.7 | Very low | 106 Ų | 106 | 150.8 Ų | 150.8 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | -55.9 | 124.2 | 172.9 | -66.2 | 0 | 0 | 0 | 0 | 109.9 | P52 Y56 | P52-S54 PolarHBondContact O-N 3.08Å; P52-S54 VanDerWaalsContact O-N 3.14Å; S54-Y56 PolarHBondContact O-N 3.36Å | ||
| 55 | N | 46.3 | Very low | 42.3 | Very low | 164 Ų | 164 | 152 Ų | 152 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | -49.4 | 108.1 | 168.7 | -89.7 | -40.7 | 0 | 0 | 0 | 110 | R53 | R53-N55 PolarHBondContact O-N 2.88Š| ||
| 56 | Y | 39.3 | Very low | 42.1 | Very low | 221 Ų | 221 | 147.1 Ų | 147.1 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | trans | -102.7 | 106.3 | 157.7 | -119.1 | -93.3 | 0 | 0 | 0 | 106.8 | S54 E58 | S54-Y56 PolarHBondContact O-N 3.36Å; Y56-E58 PolarHBondContact O-N 3.15Å | ||
| 57 | S | 45.8 | Very low | 41.5 | Very low | 104 Ų | 104 | 147.8 Ų | 147.8 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -69.2 | 112.2 | 163.9 | 47.9 | 0 | 0 | 0 | 0 | 108.2 | P59 | S57-P59 VanDerWaalsContact O-CD 3.32Å; S57-P59 WeakPolarHBondContact O-CD 3.29Å | ||
| 58 | E | 41.9 | Very low | 41.2 | Very low | 188 Ų | 188 | 143.6 Ų | 143.6 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | -69.9 | 122.1 | 163.4 | -85.3 | -169 | 104.7 | 0 | 0 | 109.3 | Y56 | Y56-E58 PolarHBondContact O-N 3.15Š| ||
| 59 | P | 51.4 | Low | 41.2 | Very low | 81 Ų | 81 | 140.8 Ų | 140.8 | 53% | 0.526 | 80% | 0.8 | S | S | . | * | trans | -81.9 | 138.8 | 161.2 | 31.3 | -28.2 | 0 | 0 | 0 | 109.6 | S57 F61 | S57-P59 VanDerWaalsContact O-CD 3.32Å; S57-P59 WeakPolarHBondContact O-CD 3.29Å; P59-F61 HydrophobicContact CG-CD2 4.38Å; P59-F61 HydrophobicContact CG-CE2 3.75Å; P59-F61 HydrophobicContact CG-CZ 4.24Å; P59-F61 PolarHBondContact O-N 2.99Å | ||
| 60 | P | 42.3 | Very low | 41.1 | Very low | 128 Ų | 128 | 141.7 Ų | 141.7 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | trans | -74.5 | 107.9 | 175.6 | 29.5 | -31 | 0 | 0 | 0 | 109.3 | S62 | P60-S62 PolarHBondContact O-N 3.46Š| ||
| 61 | F | 35 | Very low | 40.8 | Very low | 192 Ų | 192 | 141.6 Ų | 141.6 | 84% | 0.842 | 81% | 0.806 | S | S | * | * | trans | -80.1 | 101.2 | 169.6 | -75.9 | -76 | 0 | 0 | 0 | 109.9 | P59 | P59-F61 HydrophobicContact CG-CD2 4.38Å; P59-F61 HydrophobicContact CG-CE2 3.75Å; P59-F61 HydrophobicContact CG-CZ 4.24Å; P59-F61 PolarHBondContact O-N 2.99Å | ||
| 62 | S | 36.3 | Very low | 40.9 | Very low | 102 Ų | 102 | 140 Ų | 140 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | trans | -63.6 | 126.3 | 163.9 | -174.2 | 0 | 0 | 0 | 0 | 109.8 | P60 | P60-S62 PolarHBondContact O-N 3.46Š| ||
| 63 | C | 37 | Very low | 40.6 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 87% | 0.872 | 80% | 0.804 | S | S | * | * | trans | -87.7 | 107.9 | 171 | 45 | 0 | 0 | 0 | 0 | 109 | ||||
| 64 | S | 38.6 | Very low | 40.3 | Very low | 107 Ų | 107 | 140.4 Ų | 140.4 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | -122 | 126.1 | 168.1 | -67.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 65 | N | 38.1 | Very low | 39.8 | Very low | 170 Ų | 170 | 138.3 Ų | 138.3 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | -47.7 | 146.7 | 173.1 | -86 | -9.2 | 0 | 0 | 0 | 112.8 | ||||
| 66 | A | 36.1 | Very low | 39.4 | Very low | 80 Ų | 80 | 139.6 Ų | 139.6 | 66% | 0.661 | 80% | 0.802 | S | S | * | * | 166 | 134.6 | 108.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 67 | Q | 38.2 | Very low | 39.1 | Very low | 197 Ų | 197 | 132.9 Ų | 132.9 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | 74.5 | 122.8 | 144.3 | -65.6 | 168.8 | 15.2 | 0 | 0 | 119.7 | ||||
| 68 | G | 32.6 | Very low | 38.8 | Very low | 77 Ų | 77 | 136.1 Ų | 136.1 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | 143.7 | 96.1 | 143.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 69 | S | 38.7 | Very low | 38.2 | Very low | 122 Ų | 122 | 134.3 Ų | 134.3 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | 108.1 | 103.9 | 138.9 | -136.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 70 | A | 35.5 | Very low | 37.6 | Very low | 95 Ų | 95 | 137.7 Ų | 137.7 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -72.6 | 133.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 71 | V | 42.5 | Very low | 37.2 | Very low | 141 Ų | 141 | 136.5 Ų | 136.5 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | -132.6 | 122.4 | 154.6 | -174.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 72 | Q | 46.1 | Very low | 37.2 | Very low | 173 Ų | 173 | 131 Ų | 131 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | trans | -71.6 | 158.2 | -171.6 | -64.8 | -158 | 18 | 0 | 0 | 114 | ||||
| 73 | P | 44.7 | Very low | 38.2 | Very low | 120 Ų | 120 | 132.2 Ų | 132.2 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | trans | -79.8 | 127.5 | 164.2 | 32.5 | -29.7 | 0 | 0 | 0 | 110.4 | G75 | P73-G75 PolarHBondContact O-N 3.36Š| ||
| 74 | R | 36.1 | Very low | 38.7 | Very low | 252 Ų | 252 | 132.3 Ų | 132.3 | 95% | 0.951 | 80% | 0.801 | S | S | * | * | trans | -79.5 | 111.2 | 174.2 | -173.5 | 172.9 | 171.6 | 158 | -2.8 | 109.7 | ||||
| 75 | G | 32.8 | Very low | 38.6 | Very low | 61 Ų | 61 | 130.6 Ų | 130.6 | 63% | 0.629 | 80% | 0.8 | S | S | * | * | trans | -86.6 | 163.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | P73 | P73-G75 PolarHBondContact O-N 3.36Š| ||
| 76 | H | 38.2 | Very low | 39.2 | Very low | 191 Ų | 191 | 128.1 Ų | 128.1 | 88% | 0.884 | 79% | 0.793 | S | S | * | * | trans | 23.8 | 127.8 | 147.9 | -88.9 | -69.8 | 0 | 0 | 0 | 121.9 | ||||
| 77 | G | 33.3 | Very low | 39.5 | Very low | 81 Ų | 81 | 134.2 Ų | 134.2 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -130.6 | 130.1 | 149.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 78 | Q | 39.2 | Very low | 39.9 | Very low | 171 Ų | 171 | 131 Ų | 131 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | trans | -127.9 | 136.2 | -177 | 162.7 | -179.1 | -9.6 | 0 | 0 | 107.5 | ||||
| 79 | E | 30.6 | Very low | 40.2 | Very low | 151 Ų | 151 | 130.5 Ų | 130.5 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | 170.4 | 120.8 | 143.8 | -101.1 | -143.6 | 77 | 0 | 0 | 110.4 | ||||
| 80 | Q | 37.3 | Very low | 40.8 | Very low | 152 Ų | 152 | 130.9 Ų | 130.9 | 71% | 0.71 | 80% | 0.795 | S | S | * | * | 70.7 | 142.9 | 96.7 | -68.4 | -161.3 | 79.9 | 0 | 0 | 114.1 | |||||
| 81 | S | 35 | Very low | 41 | Very low | 103 Ų | 103 | 130.4 Ų | 130.4 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | cis | -179.2 | 136.3 | -4.9 | 47.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 82 | G | 35.3 | Very low | 40.8 | Very low | 77 Ų | 77 | 132.7 Ų | 132.7 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | 69.8 | 162.5 | 151.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 83 | P | 56.3 | Low | 40.7 | Very low | 126 Ų | 126 | 132.9 Ų | 132.9 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | cis | -124.3 | 169.8 | 9.6 | 39.9 | -24.8 | 0 | 0 | 0 | 115.5 | ||||
| 84 | P | 47.6 | Very low | 40.3 | Very low | 132 Ų | 132 | 133 Ų | 133 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | trans | -95.8 | 143.9 | 172.4 | 35.8 | -27.5 | 0 | 0 | 0 | 112.1 | ||||
| 85 | G | 37.2 | Very low | 41.5 | Very low | 70 Ų | 70 | 126.5 Ų | 126.5 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | -119.1 | 152.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 86 | P | 50.4 | Low | 43 | Very low | 119 Ų | 119 | 129 Ų | 129 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -106.7 | 134 | -151.3 | 35.7 | -24.1 | 0 | 0 | 0 | 113.2 | ||||
| 87 | F | 42.5 | Very low | 44.1 | Very low | 207 Ų | 207 | 125.3 Ų | 125.3 | 91% | 0.908 | 78% | 0.784 | S | S | * | * | trans | -136.5 | 119.5 | 160 | -83.1 | -79 | 0 | 0 | 0 | 109.5 | ||||
| 88 | P | 46.8 | Very low | 45.1 | Very low | 130 Ų | 130 | 127.4 Ų | 127.4 | 84% | 0.844 | 78% | 0.783 | S | S | * | * | trans | -87.4 | 112.1 | 172.3 | 32.5 | -25.4 | 0 | 0 | 0 | 108.8 | ||||
| 89 | G | 37.4 | Very low | 45.7 | Very low | 66 Ų | 66 | 126.6 Ų | 126.6 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | trans | -106.7 | 130.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 90 | P | 51.7 | Low | 46.6 | Very low | 130 Ų | 130 | 125.3 Ų | 125.3 | 84% | 0.844 | 79% | 0.789 | S | S | * | * | trans | -71.1 | 139.3 | -168.4 | 28 | -32.5 | 0 | 0 | 0 | 112.1 | E92 | P90-E92 PolarHBondContact O-N 3.44Š| ||
| 91 | A | 40.3 | Very low | 47 | Very low | 86 Ų | 86 | 124 Ų | 124 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | -70.6 | 105.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 92 | E | 38.8 | Very low | 47.5 | Very low | 189 Ų | 189 | 124.6 Ų | 124.6 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -88.1 | 110.1 | 159 | -74.2 | -101.4 | 108.1 | 0 | 0 | 108.1 | P90 C94 | P90-E92 PolarHBondContact O-N 3.44Å; E92-C94 PolarHBondContact O-N 2.9Å | ||
| 93 | H | 43.6 | Very low | 47.7 | Very low | 177 Ų | 177 | 132.5 Ų | 132.5 | 82% | 0.819 | 80% | 0.801 | S | S | * | * | trans | -66.2 | 109.6 | 173.5 | -83.9 | 64 | 0 | 0 | 0 | 110.1 | ||||
| 94 | C | 35.2 | Very low | 47.1 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | trans | -105.1 | 114.3 | 162.4 | -106.1 | 0 | 0 | 0 | 0 | 108.8 | E92 | E92-C94 PolarHBondContact O-N 2.9Š| ||
| 95 | P | 62 | Low | 46.3 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -70 | 142.1 | 173.1 | 28.6 | -31.5 | 0 | 0 | 0 | 110 | ||
| 96 | P | 63.3 | Low | 46.4 | Very low | 114 Ų | 114 | 132.1 Ų | 132.1 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 143 | 174.5 | 28.6 | -33.2 | 0 | 0 | 0 | 110.6 | ||
| 97 | P | 61.9 | Low | 46.2 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 138.2 | 172.3 | 27.1 | -32.5 | 0 | 0 | 0 | 109.8 | L99 | P97-L99 PolarHBondContact O-N 3.31Š|
| 98 | P | 54.5 | Low | 46.5 | Very low | 126 Ų | 126 | 134.4 Ų | 134.4 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 124 | 177.5 | 25.9 | -31.3 | 0 | 0 | 0 | 109.8 | ||
| 99 | L | 52.6 | Low | 46.4 | Very low | 154 Ų | 154 | 133.9 Ų | 133.9 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 137.4 | 163.5 | -74.3 | 142.8 | 0 | 0 | 0 | 109 | P97 T101 | P97-L99 PolarHBondContact O-N 3.31Å; L99-T101 PolarHBondContact O-N 3.07Å |
| 100 | P | 49.5 | Very low | 46.6 | Very low | 124 Ų | 124 | 135.1 Ų | 135.1 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | trans | -64.1 | 111.2 | 170 | 25.9 | -30.1 | 0 | 0 | 0 | 107.9 | S102 | P100-S102 PolarHBondContact O-N 3.08Š| ||
| 101 | T | 45.8 | Very low | 46.4 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 77% | 0.767 | 80% | 0.802 | S | S | * | * | trans | -52.9 | 133.6 | 165.4 | 53.9 | 0 | 0 | 0 | 0 | 107.6 | L99 R103 | L99-T101 PolarHBondContact O-N 3.07Å; T101-R103 PolarHBondContact O-N 3Å | ||
| 102 | S | 44.6 | Very low | 46.9 | Very low | 114 Ų | 114 | 142 Ų | 142 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -49.5 | 112.6 | 168.3 | 51.2 | 0 | 0 | 0 | 0 | 107.7 | P100 A104 | P100-S102 PolarHBondContact O-N 3.08Å; S102-A104 VanDerWaalsContact C-N 3.33Å; S102-A104 PolarHBondContact O-N 2.93Å | ||
| 103 | R | 39.9 | Very low | 47.4 | Very low | 243 Ų | 243 | 138.4 Ų | 138.4 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | trans | -54.8 | 105.9 | 164.4 | -86.5 | -175.8 | 164.9 | 176.3 | -4.1 | 106.8 | T101 C105 | T101-R103 PolarHBondContact O-N 3Å; R103-C105 VanDerWaalsContact C-N 3.33Å; R103-C105 PolarHBondContact O-N 3.41Å | ||
| 104 | A | 42.8 | Very low | 47.9 | Very low | 92 Ų | 92 | 135.8 Ų | 135.8 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | trans | -53.2 | 106.3 | 155.5 | 0 | 0 | 0 | 0 | 0 | 105.6 | S102 S106 | S102-A104 VanDerWaalsContact C-N 3.33Å; S102-A104 PolarHBondContact O-N 2.93Å; A104-S106 PolarHBondContact O-N 3.11Å; A104-S106 VanDerWaalsContact O-N 3.15Å | ||
| 105 | C | 31.9 | Very low | 48.5 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | -57.6 | 121 | 174.1 | -171.3 | 0 | 0 | 0 | 0 | 107 | R103 | R103-C105 VanDerWaalsContact C-N 3.33Å; R103-C105 PolarHBondContact O-N 3.41Å | ||
| 106 | S | 39.8 | Very low | 47.7 | Very low | 103 Ų | 103 | 136.1 Ų | 136.1 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | trans | -47.5 | 138.2 | 179.6 | -62.7 | 0 | 0 | 0 | 0 | 111.7 | A104 Q108 | A104-S106 PolarHBondContact O-N 3.11Å; A104-S106 VanDerWaalsContact O-N 3.15Å; S106-Q108 PolarHBondContact O-N 3.41Å; S106-Q108 VanDerWaalsContact O-N 3.08Å | ||
| 107 | Q | 46 | Very low | 47.2 | Very low | 197 Ų | 197 | 135.9 Ų | 135.9 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | trans | -37.9 | 110.5 | 165.2 | -63.2 | 161.3 | 43.4 | 0 | 0 | 110.4 | ||||
| 108 | Q | 47 | Very low | 46.8 | Very low | 177 Ų | 177 | 134.3 Ų | 134.3 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | trans | -80.6 | 133.6 | 155.9 | -77.3 | -167.3 | -23 | 0 | 0 | 107.5 | S106 A110 | S106-Q108 PolarHBondContact O-N 3.41Å; S106-Q108 VanDerWaalsContact O-N 3.08Å; Q108-A110 PolarHBondContact O-N 2.97Å; Q108-A110 VanDerWaalsContact O-N 3.15Å | ||
| 109 | P | 44.7 | Very low | 47 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -64.4 | 119.1 | 170.9 | 25 | -29.4 | 0 | 0 | 0 | 108.7 | L111 | P109-L111 PolarHBondContact O-N 3.48Š| ||
| 110 | A | 43.6 | Very low | 47.3 | Very low | 92 Ų | 92 | 136.1 Ų | 136.1 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | trans | -63.2 | 99.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q108 K112 | Q108-A110 PolarHBondContact O-N 2.97Å; Q108-A110 VanDerWaalsContact O-N 3.15Å; A110-K112 PolarHBondContact O-N 2.93Å; A110-K112 VanDerWaalsContact O-N 3.13Å | ||
| 111 | L | 46.6 | Very low | 47.8 | Very low | 167 Ų | 167 | 137.9 Ų | 137.9 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -73.3 | 98.3 | 158.9 | -69.3 | 173.8 | 0 | 0 | 0 | 107.4 | P109 P113 | P109-L111 PolarHBondContact O-N 3.48Å; L111-P113 WeakPolarHBondContact O-CD 3.36Å | ||
| 112 | K | 51.7 | Low | 48.8 | Very low | 194 Ų | 194 | 137.1 Ų | 137.1 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 124.9 | 165.7 | -72.9 | 177.4 | 176.2 | 176.9 | 0 | 108.9 | A110 | A110-K112 PolarHBondContact O-N 2.93Å; A110-K112 VanDerWaalsContact O-N 3.13Å |
| 113 | P | 49.1 | Very low | 50.5 | Low | 114 Ų | 114 | 135.9 Ų | 135.9 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 142.3 | 151.9 | 18.8 | -6.3 | 0 | 0 | 0 | 109 | L111 | L111-P113 WeakPolarHBondContact O-CD 3.36Š|
| 114 | P | 54.2 | Low | 52.6 | Low | 122 Ų | 122 | 129.3 Ų | 129.3 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 140.7 | 175 | 32 | -31 | 0 | 0 | 0 | 109.6 | ||
| 115 | N | 47.7 | Very low | 54.8 | Low | 176 Ų | 176 | 128.9 Ų | 128.9 | 94% | 0.941 | 77% | 0.773 | S | S | * | * | trans | 19.9 | 100.1 | 159.2 | -90.1 | -2.1 | 0 | 0 | 0 | 117.7 | ||||
| 116 | G | 43.8 | Very low | 57.5 | Low | 68 Ų | 68 | 129.1 Ų | 129.1 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | trans | -148.1 | 115 | 150.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | A118 | G116-A118 PolarHBondContact O-N 2.99Š| ||
| 117 | A | 53.1 | Low | 59.8 | Low | 108 Ų | 108 | 129 Ų | 129 | 89% | 0.893 | 75% | 0.754 | S | S | * | * | trans | -65.2 | 78.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | V119 | A117-V119 PolarHBondContact O-N 3.35Š| ||
| 118 | A | 53.6 | Low | 61.8 | Low | 81 Ų | 81 | 129 Ų | 129 | 67% | 0.669 | 75% | 0.745 | S | S | * | * | trans | -73.3 | 98.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | G116 K120 | G116-A118 PolarHBondContact O-N 2.99Å; A118-K120 PolarHBondContact O-N 3.41Å | ||
| 119 | V | 58.2 | Low | 63.7 | Low | 128 Ų | 128 | 125.2 Ų | 125.2 | 78% | 0.776 | 73% | 0.729 | S | S | * | * | trans | -52.9 | 95.1 | 160.8 | 178.4 | 0 | 0 | 0 | 0 | 106.4 | A117 Q121 | A117-V119 PolarHBondContact O-N 3.35Å; V119-Q121 VanDerWaalsContact C-N 3.29Å; V119-Q121 PolarHBondContact O-N 3.36Å | ||
| 120 | K | 59.8 | Low | 65.6 | Low | 189 Ų | 189 | 125.8 Ų | 125.8 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | trans | -67.2 | 96.3 | 173.4 | -67.2 | -176 | -177.9 | 179.4 | 0 | 105.7 | A118 P122 | A118-K120 PolarHBondContact O-N 3.41Å; K120-P122 VanDerWaalsContact O-N 3.15Å | ||
| 121 | Q | 60 | Low | 67.3 | Low | 162 Ų | 162 | 127 Ų | 127 | 76% | 0.757 | 71% | 0.707 | S | S | * | * | trans | -45.2 | 123.3 | 168.9 | -72.5 | -75.7 | 11.9 | 0 | 0 | 107.4 | V119 A123 | V119-Q121 VanDerWaalsContact C-N 3.29Å; V119-Q121 PolarHBondContact O-N 3.36Å; Q121-A123 PolarHBondContact O-N 3.35Å | ||
| 122 | P | 67.8 | Low | 68.6 | Low | 108 Ų | 108 | 124.7 Ų | 124.7 | 70% | 0.701 | 70% | 0.7 | S | S | * | * | trans | -59.5 | 127.6 | 178.2 | 24.8 | -31.9 | 0 | 0 | 0 | 107.4 | K120 V124 | K120-P122 VanDerWaalsContact O-N 3.15Å; P122-V124 PolarHBondContact O-N 3.09Å; P122-V124 VanDerWaalsContact O-N 3.17Å | ||
| 123 | A | 79.7 | Confident | 69.3 | Low | 88 Ų | 88 | 124.1 Ų | 124.1 | 73% | 0.727 | 70% | 0.7 | S | S | * | * | trans | -50.6 | 126.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q121 V125 | Q121-A123 PolarHBondContact O-N 3.35Å; A123-V125 PolarHBondContact O-N 3.32Å | ||
| 124 | V | 84.5 | Confident | 69.7 | Low | 106 Ų | 106 | 121.2 Ų | 121.2 | 64% | 0.642 | 68% | 0.68 | S | S | * | * | trans | -67.4 | 104.9 | -178.6 | 179.8 | 0 | 0 | 0 | 0 | 108.6 | P122 Y126 | P122-V124 PolarHBondContact O-N 3.09Å; P122-V124 VanDerWaalsContact O-N 3.17Å; V124-Y126 HydrophobicContact CG1-CD1 4.48Å; V124-Y126 HydrophobicContact CG1-CE1 4.09Å; V124-Y126 HydrophobicContact CG1-CE2 4.29Å; V124-Y126 PolarHBondContact O-N 3.04Å | ||
| 125 | V | 87.8 | Confident | 69.6 | Low | 83 Ų | 83 | 121.9 Ų | 121.9 | 50% | 0.503 | 68% | 0.677 | S | S | . | * | trans | -88.2 | 105.5 | 175.9 | -177.9 | 0 | 0 | 0 | 0 | 109.2 | A123 M129 K130 | A123-V125 PolarHBondContact O-N 3.32Å; V125-M129 HydrophobicContact CG1-CB 3.96Å; V125-K130 HydrophobicContact CG1-CG 4.08Å | ||
| 126 | Y | 89.1 | Confident | 70 | Confident | 130 Ų | 130 | 119.4 Ų | 119.4 | 51% | 0.51 | 67% | 0.673 | S | S | . | * | trans | -68.5 | 151.8 | 177.6 | -63.9 | -80.7 | 0 | 0 | 0 | 112 | V124 W128 M129 | V124-Y126 HydrophobicContact CG1-CD1 4.48Å; V124-Y126 HydrophobicContact CG1-CE1 4.09Å; V124-Y126 HydrophobicContact CG1-CE2 4.29Å; V124-Y126 PolarHBondContact O-N 3.04Å; Y126-W128 VanDerWaalsContact C-N 3.25Å; Y126-W128 VanDerWaalsContact CB-NE1 3.27Å; Y126-W128 AromaticContact CG-NE1 3.83Å; Y126-W128 PolarHBondContact O-N 3.06Å; Y126-W128 VanDerWaalsContact O-N 3.12Å; Y126-M129 HydrophobicContact CD2-SD 3.84Å; Y126-M129 WeakPolarHBondContact O-CB 3.43Å; Y126-M129 PolarHBondContact O-N 2.68Å | ||
| 127 | P | 87.9 | Confident | 70.3 | Confident | 101 Ų | 101 | 122 Ų | 122 | 66% | 0.656 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -54.3 | -34.3 | -177.5 | -29.1 | 36 | 0 | 0 | 0 | 115.2 | M129 K130 | P127-M129 VanDerWaalsContact C-N 3.28Å; P127-M129 PolarHBondContact O-N 3.07Å; P127-K130 WeakPolarHBondContact O-CB 3.34Å; P127-K130 PolarHBondContact O-N 3.09Å |
| 128 | W | 88.7 | Confident | 70.2 | Confident | 197 Ų | 197 | 121.9 Ų | 121.9 | 75% | 0.746 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -70.8 | -22.3 | 177.6 | 65.6 | -95.3 | 0 | 0 | 0 | 113.6 | Y126 | Y126-W128 VanDerWaalsContact C-N 3.25Å; Y126-W128 VanDerWaalsContact CB-NE1 3.27Å; Y126-W128 AromaticContact CG-NE1 3.83Å; Y126-W128 PolarHBondContact O-N 3.06Å; Y126-W128 VanDerWaalsContact O-N 3.12Å |
| 129 | M | 87 | Confident | 70.6 | Confident | 97 Ų | 97 | 124.1 Ų | 124.1 | 48% | 0.478 | 67% | 0.667 | S | S | . | * | G | 310 helix | trans | -78.2 | -13.8 | 175.1 | -57.5 | 176.8 | 75.9 | 0 | 0 | 111.5 | V125 Y126 P127 | V125-M129 HydrophobicContact CG1-CB 3.96Å; Y126-M129 HydrophobicContact CD2-SD 3.84Å; Y126-M129 WeakPolarHBondContact O-CB 3.43Å; Y126-M129 PolarHBondContact O-N 2.68Å; P127-M129 VanDerWaalsContact C-N 3.28Å; P127-M129 PolarHBondContact O-N 3.07Å |
| 130 | K | 83.4 | Confident | 70.5 | Confident | 130 Ų | 130 | 125 Ų | 125 | 57% | 0.565 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -79.8 | 135.6 | 176.9 | -58 | -177.4 | 175 | 179.5 | 0 | 109.7 | V125 P127 V132 | V125-K130 HydrophobicContact CG1-CG 4.08Å; P127-K130 WeakPolarHBondContact O-CB 3.34Å; P127-K130 PolarHBondContact O-N 3.09Å; K130-V132 PolarHBondContact O-N 2.83Å |
| 131 | K | 80.1 | Confident | 70.1 | Confident | 117 Ų | 117 | 125 Ų | 125 | 51% | 0.509 | 66% | 0.664 | S | S | . | * | trans | -79.7 | 91.3 | -177.1 | -61.5 | 174.2 | 72.5 | -169.8 | 0 | 110.1 | H133 V134 E145 | K131-H133 PolarHBondContact O-N 3.13Å; K131-H133 VanDerWaalsContact O-N 3.09Å; K131-V134 HydrophobicContact CB-CG2 3.65Å; K131-V134 PolarHBondContact O-N 3.39Å; K131-E145 WeakPolarHBondContact CE-OE1 3.14Å; K131-E145 WeakPolarHBondContact CE-OE2 3.35Å; K131-E145 IonicContact NZ-OE1 2.72Å; K131-E145 PolarHBondContact NZ-OE1 2.95Å; K131-E145 IonicContact NZ-OE2 2.59Å; K131-E145 PolarHBondContact NZ-OE2 3.37Å | ||
| 132 | V | 73.4 | Confident | 69.9 | Low | 119 Ų | 119 | 125.6 Ų | 125.6 | 72% | 0.721 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -24.3 | -175.1 | -178.7 | 0 | 0 | 0 | 0 | 114 | K130 V134 | K130-V132 PolarHBondContact O-N 2.83Å; V132-V134 VanDerWaalsContact C-N 3.34Å; V132-V134 PolarHBondContact O-N 3.37Å |
| 133 | H | 65.8 | Low | 69.2 | Low | 182 Ų | 182 | 122.6 Ų | 122.6 | 84% | 0.843 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | 6.2 | -172.4 | -61.3 | 94.3 | 0 | 0 | 0 | 115.2 | K131 | K131-H133 PolarHBondContact O-N 3.13Å; K131-H133 VanDerWaalsContact O-N 3.09Å |
| 134 | V | 58.1 | Low | 68.3 | Low | 53 Ų | 53 | 122.3 Ų | 122.3 | 32% | 0.321 | 67% | 0.666 | S | S | . | * | S | Bend | trans | -109.9 | -20.2 | -165 | -169 | 0 | 0 | 0 | 0 | 113.1 | K131 V132 S136 E145 | K131-V134 HydrophobicContact CB-CG2 3.65Å; K131-V134 PolarHBondContact O-N 3.39Å; V132-V134 VanDerWaalsContact C-N 3.34Å; V132-V134 PolarHBondContact O-N 3.37Å; V134-S136 PolarHBondContact O-N 2.89Å; V134-E145 HydrophobicContact CG1-CG 3.69Å; V134-E145 WeakPolarHBondContact CG1-OE1 3.4Å; V134-E145 WeakPolarHBondContact CG2-OE1 3.45Å |
| 135 | N | 52.6 | Low | 67 | Low | 136 Ų | 136 | 120.9 Ų | 120.9 | 73% | 0.727 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -6.2 | -163.1 | -71.8 | 53.6 | 0 | 0 | 0 | 116.5 | ||
| 136 | S | 55.7 | Low | 65.7 | Low | 125 Ų | 125 | 122.4 Ų | 122.4 | 87% | 0.874 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 5.3 | -171.8 | -69.3 | 0 | 0 | 0 | 0 | 116.1 | V134 | V134-S136 PolarHBondContact O-N 2.89Š|
| 137 | V | 51.2 | Low | 64.9 | Low | 121 Ų | 121 | 124.7 Ų | 124.7 | 73% | 0.733 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -121.9 | -10.2 | -176.6 | -65.9 | 0 | 0 | 0 | 0 | 118.1 | ||
| 138 | N | 50.4 | Low | 64.3 | Low | 107 Ų | 107 | 131 Ų | 131 | 57% | 0.572 | 69% | 0.688 | S | S | * | * | trans | 175.3 | 124 | 163.1 | -94.9 | -43.3 | 0 | 0 | 0 | 110.7 | N140 Y141 | N138-N140 PolarHBondContact O-N 3.36Å; N138-Y141 HydrophobicContact CB-CD2 4.02Å | ||
| 139 | P | 60.6 | Low | 64.1 | Low | 128 Ų | 128 | 126.8 Ų | 126.8 | 83% | 0.831 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -13.6 | 173.5 | -20.4 | 32.3 | 0 | 0 | 0 | 115 | ||
| 140 | N | 57.3 | Low | 64.3 | Low | 147 Ų | 147 | 133.6 Ų | 133.6 | 79% | 0.786 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | 5.8 | -170.5 | -74.3 | 58.7 | 0 | 0 | 0 | 115.2 | N138 N142 | N138-N140 PolarHBondContact O-N 3.36Å; N140-N142 PolarHBondContact O-N 2.98Å |
| 141 | Y | 52.1 | Low | 64.7 | Low | 188 Ų | 188 | 133.2 Ų | 133.2 | 74% | 0.737 | 72% | 0.718 | S | S | * | * | trans | -89.6 | 97 | 178.3 | -103.5 | -91.4 | 0 | 0 | 0 | 111.5 | N138 G143 | N138-Y141 HydrophobicContact CB-CD2 4.02Å; Y141-G143 PolarHBondContact O-N 2.79Å | ||
| 142 | N | 55.6 | Low | 65.5 | Low | 174 Ų | 174 | 131.8 Ų | 131.8 | 93% | 0.93 | 73% | 0.728 | S | S | * | * | trans | -89.6 | 32.4 | 171.7 | -152.6 | 91.8 | 0 | 0 | 0 | 112.4 | N140 | N140-N142 PolarHBondContact O-N 2.98Š| ||
| 143 | G | 52 | Low | 66.7 | Low | 45 Ų | 45 | 129.6 Ų | 129.6 | 46% | 0.464 | 71% | 0.707 | S | S | . | * | S | Bend | trans | -118.9 | 137.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y141 E145 | Y141-G143 PolarHBondContact O-N 2.79Å; G143-E145 PolarHBondContact O-N 2.96Å |
| 144 | G | 60.8 | Low | 68.2 | Low | 82 Ų | 82 | 124.5 Ų | 124.5 | 85% | 0.845 | 69% | 0.689 | S | S | * | * | trans | -30 | 120 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 145 | E | 57.4 | Low | 70.1 | Confident | 76 Ų | 76 | 131.6 Ų | 131.6 | 36% | 0.355 | 71% | 0.71 | S | S | . | * | trans | -59.9 | 126.6 | -163.6 | -142.2 | -158.3 | -103.2 | 0 | 0 | 114.2 | K131 V134 G143 K147 | K131-E145 WeakPolarHBondContact CE-OE1 3.14Å; K131-E145 WeakPolarHBondContact CE-OE2 3.35Å; K131-E145 IonicContact NZ-OE1 2.72Å; K131-E145 PolarHBondContact NZ-OE1 2.95Å; K131-E145 IonicContact NZ-OE2 2.59Å; K131-E145 PolarHBondContact NZ-OE2 3.37Å; V134-E145 HydrophobicContact CG1-CG 3.69Å; V134-E145 WeakPolarHBondContact CG1-OE1 3.4Å; V134-E145 WeakPolarHBondContact CG2-OE1 3.45Å; G143-E145 PolarHBondContact O-N 2.96Å; E145-K147 PolarHBondContact O-N 3.25Å | ||
| 146 | P | 61.4 | Low | 72.3 | Confident | 116 Ų | 116 | 131.8 Ų | 131.8 | 75% | 0.753 | 71% | 0.706 | S | S | * | * | trans | -68.9 | 93.5 | 170.3 | -17 | 30.7 | 0 | 0 | 0 | 109.8 | R148 | P146-R148 PolarHBondContact O-N 3.31Š| ||
| 147 | K | 72.3 | Confident | 74.3 | Confident | 177 Ų | 177 | 127.2 Ų | 127.2 | 77% | 0.77 | 67% | 0.671 | S | S | * | * | trans | -53.6 | 113.6 | 163.4 | -76.3 | 141.5 | 178 | 170.3 | 0 | 106.8 | E145 S149 | E145-K147 PolarHBondContact O-N 3.25Å; K147-S149 PolarHBondContact O-N 2.79Å | ||
| 148 | R | 75.5 | Confident | 76.6 | Confident | 233 Ų | 233 | 123.7 Ų | 123.7 | 88% | 0.879 | 65% | 0.65 | S | S | * | * | trans | -55 | 102.6 | 178.8 | -156.6 | 178.1 | -164.4 | 173.5 | 8.1 | 108.1 | P146 R150 | P146-R148 PolarHBondContact O-N 3.31Å; R148-R150 PolarHBondContact O-N 2.84Å | ||
| 149 | S | 83.8 | Confident | 78.9 | Confident | 110 Ų | 110 | 122.4 Ų | 122.4 | 77% | 0.769 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 134.1 | -175.3 | -175.1 | 0 | 0 | 0 | 0 | 109 | K147 | K147-S149 PolarHBondContact O-N 2.79Š|
| 150 | R | 89.9 | Confident | 80.7 | Confident | 239 Ų | 239 | 119.3 Ų | 119.3 | 90% | 0.902 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 117.5 | 176.7 | -72.7 | -179.1 | 177.6 | -95.9 | 1.4 | 108.4 | R148 | R148-R150 PolarHBondContact O-N 2.84Š|
| 151 | T | 93.3 | Very high | 82.7 | Confident | 122 Ų | 122 | 112.3 Ų | 112.3 | 75% | 0.748 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 127.7 | 168.4 | -44.6 | 0 | 0 | 0 | 0 | 109.6 | ||
| 152 | A | 95.8 | Very high | 84.9 | Confident | 87 Ų | 87 | 106.6 Ų | 106.6 | 72% | 0.719 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 146.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 153 | Y | 98.3 | Very high | 86.9 | Confident | 73 Ų | 73 | 104 Ų | 104 | 29% | 0.286 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -80.5 | 146.7 | 170.4 | -60.5 | -49 | 0 | 0 | 0 | 110.3 | L185 W193 | Y153-L185 HydrophobicContact CD1-CD1 4.07Å; Y153-L185 HydrophobicContact CD1-CD2 3.89Å; Y153-L185 HydrophobicContact CE1-CD1 3.96Å; Y153-L185 HydrophobicContact CE1-CD2 3.68Å; Y153-L185 HydrophobicContact CE1-CG 4.49Å; Y153-W193 AromaticContact CD2-CD1 3.88Å; Y153-W193 AromaticContact CE2-CD1 3.65Å |
| 154 | T | 98.6 | Very high | 89.1 | Confident | 76 Ų | 76 | 102.5 Ų | 102.5 | 47% | 0.466 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 159.1 | 174.5 | 73.9 | 0 | 0 | 0 | 0 | 110.4 | Q156 Q157 V158 | T154-Q156 VanDerWaalsContact C-N 3.27Å; T154-Q156 PolarHBondContact O-N 2.96Å; T154-Q157 PolarHBondContact O-N 3.45Å; T154-Q157 VanDerWaalsContact OG1-CG 3.29Å; T154-Q157 WeakPolarHBondContact OG1-CG 3.33Å; T154-Q157 PolarHBondContact OG1-N 3.4Å; T154-V158 WeakPolarHBondContact O-CG2 3.47Å; T154-V158 PolarHBondContact O-N 3.43Å; T154-V158 VanDerWaalsContact O-N 3.07Å |
| 155 | R | 98.3 | Very high | 90.9 | Very high | 202 Ų | 202 | 98.7 Ų | 98.7 | 76% | 0.762 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -56 | -43.4 | 177 | -175.4 | 174.1 | -178.9 | -90 | -0.4 | 111.9 | V158 L159 | R155-V158 PolarHBondContact O-N 3.24Å; R155-L159 HydrophobicContact CG-CD1 4.17Å; R155-L159 WeakPolarHBondContact O-CG 3.43Å; R155-L159 PolarHBondContact O-N 3.48Å |
| 156 | Q | 98.3 | Very high | 92.9 | Very high | 139 Ų | 139 | 100.7 Ų | 100.7 | 65% | 0.65 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.7 | -45.2 | 177.6 | -178.5 | -177 | -17.6 | 0 | 0 | 111.9 | T154 V158 L159 E160 | T154-Q156 VanDerWaalsContact C-N 3.27Å; T154-Q156 PolarHBondContact O-N 2.96Å; Q156-V158 VanDerWaalsContact C-N 3.32Å; Q156-V158 PolarHBondContact O-N 2.91Å; Q156-L159 PolarHBondContact O-N 3.3Å; Q156-E160 PolarHBondContact O-N 3.21Å; Q156-E160 VanDerWaalsContact O-N 3.08Å |
| 157 | Q | 98.5 | Very high | 94.6 | Very high | 30 Ų | 30 | 103.2 Ų | 103.2 | 14% | 0.14 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -59.3 | -44.2 | 177.2 | -73.1 | 171.7 | -25.7 | 0 | 0 | 111.5 | T154 L161 L183 | T154-Q157 PolarHBondContact O-N 3.45Å; T154-Q157 VanDerWaalsContact OG1-CG 3.29Å; T154-Q157 WeakPolarHBondContact OG1-CG 3.33Å; T154-Q157 PolarHBondContact OG1-N 3.4Å; Q157-L161 WeakPolarHBondContact O-CB 3.29Å; Q157-L161 WeakPolarHBondContact O-CD1 3.47Å; Q157-L161 WeakPolarHBondContact O-CG 3.44Å; Q157-L161 PolarHBondContact O-N 3.1Å; Q157-L183 HydrophobicContact CG-CB 4.31Å; Q157-L183 PolarHBondContact NE2-O 3.27Å |
| 158 | V | 98.5 | Very high | 95.8 | Very high | 47 Ų | 47 | 98.2 Ų | 98.2 | 29% | 0.285 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 178.5 | 177.1 | 0 | 0 | 0 | 0 | 111.3 | T154 R155 Q156 L161 E162 | T154-V158 WeakPolarHBondContact O-CG2 3.47Å; T154-V158 PolarHBondContact O-N 3.43Å; T154-V158 VanDerWaalsContact O-N 3.07Å; R155-V158 PolarHBondContact O-N 3.24Å; Q156-V158 VanDerWaalsContact C-N 3.32Å; Q156-V158 PolarHBondContact O-N 2.91Å; V158-L161 PolarHBondContact O-N 2.8Å; V158-E162 HydrophobicContact CG1-CG 4.39Å; V158-E162 WeakPolarHBondContact O-CG 3.44Å; V158-E162 PolarHBondContact O-N 3.07Å |
| 159 | L | 98.4 | Very high | 96.9 | Very high | 80 Ų | 80 | 91.2 Ų | 91.2 | 42% | 0.419 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.2 | -46.2 | -179.2 | -71.2 | 172.6 | 0 | 0 | 0 | 112.4 | R155 Q156 L161 E162 K163 | R155-L159 HydrophobicContact CG-CD1 4.17Å; R155-L159 WeakPolarHBondContact O-CG 3.43Å; R155-L159 PolarHBondContact O-N 3.48Å; Q156-L159 PolarHBondContact O-N 3.3Å; L159-L161 VanDerWaalsContact C-N 3.34Å; L159-L161 PolarHBondContact O-N 3.37Å; L159-E162 PolarHBondContact O-N 3.45Å; L159-K163 WeakPolarHBondContact O-CB 3.44Å; L159-K163 PolarHBondContact O-N 3.04Å |
| 160 | E | 98.5 | Very high | 97.5 | Very high | 62 Ų | 62 | 92.9 Ų | 92.9 | 29% | 0.29 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.3 | -38.5 | 177.2 | -71.9 | -61.5 | 147.9 | 0 | 0 | 111.7 | Q156 E162 K163 E164 L183 | Q156-E160 PolarHBondContact O-N 3.21Å; Q156-E160 VanDerWaalsContact O-N 3.08Å; E160-E162 PolarHBondContact O-N 2.84Å; E160-K163 PolarHBondContact O-N 3.09Å; E160-K163 IonicContact OE1-NZ 3.57Å; E160-K163 IonicContact OE2-NZ 2.88Å; E160-K163 PolarHBondContact OE2-NZ 3.35Å; E160-E164 WeakPolarHBondContact O-CB 3.43Å; E160-E164 WeakPolarHBondContact O-CG 3.31Å; E160-E164 PolarHBondContact O-N 3.43Å; E160-L183 HydrophobicContact CB-CD1 4.12Å; E160-L183 HydrophobicContact CB-CD2 3.71Å; E160-L183 HydrophobicContact CB-CG 4.48Å; E160-L183 HydrophobicContact CG-CD2 3.97Å |
| 161 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 82.9 Ų | 82.9 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 174.7 | -71.5 | 166.9 | 0 | 0 | 0 | 112.4 | Q157 V158 L159 F165 I179 L183 L185 I190 W193 F194 | Q157-L161 WeakPolarHBondContact O-CB 3.29Å; Q157-L161 WeakPolarHBondContact O-CD1 3.47Å; Q157-L161 WeakPolarHBondContact O-CG 3.44Å; Q157-L161 PolarHBondContact O-N 3.1Å; V158-L161 PolarHBondContact O-N 2.8Å; L159-L161 VanDerWaalsContact C-N 3.34Å; L159-L161 PolarHBondContact O-N 3.37Å; L161-F165 WeakPolarHBondContact O-CB 3.33Å; L161-F165 PolarHBondContact O-N 3.13Å; L161-I179 HydrophobicContact CD2-CG2 4.17Å; L161-L183 HydrophobicContact CD1-CD1 4.4Å; L161-L183 HydrophobicContact CD2-CD1 3.88Å; L161-L183 HydrophobicContact CG-CD1 3.7Å; L161-L185 HydrophobicContact CD1-CD1 4.33Å; L161-I190 HydrophobicContact CD2-CD1 3.79Å; L161-W193 VanDerWaalsContact C-CH2 3.49Å; L161-W193 HydrophobicContact CB-CD2 3.93Å; L161-W193 HydrophobicContact CB-CE3 3.92Å; L161-W193 HydrophobicContact CB-CH2 3.6Å; L161-W193 HydrophobicContact CB-CZ2 3.58Å; L161-W193 HydrophobicContact CB-CZ3 3.76Å; L161-W193 HydrophobicContact CD1-CD2 3.86Å; L161-W193 HydrophobicContact CD1-CG 3.83Å; L161-W193 HydrophobicContact CD1-CZ2 4.47Å; L161-W193 HydrophobicContact CD2-CD2 4.34Å; L161-W193 HydrophobicContact CD2-CE3 4.26Å; L161-W193 HydrophobicContact CG-CD2 4.27Å; L161-W193 HydrophobicContact CG-CE3 4.47Å; L161-W193 WeakPolarHBondContact O-CH2 3.34Å; L161-W193 WeakPolarHBondContact O-CZ3 3.33Å; L161-F194 HydrophobicContact CD2-CE2 4.04Å |
| 162 | E | 98.6 | Very high | 98.2 | Very high | 68 Ų | 68 | 81.1 Ų | 81.1 | 32% | 0.318 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67.1 | -45.4 | 175.4 | -74.3 | -167.5 | 165.7 | 0 | 0 | 111.8 | V158 L159 E160 E164 F165 H166 W193 | V158-E162 HydrophobicContact CG1-CG 4.39Å; V158-E162 WeakPolarHBondContact O-CG 3.44Å; V158-E162 PolarHBondContact O-N 3.07Å; L159-E162 PolarHBondContact O-N 3.45Å; E160-E162 PolarHBondContact O-N 2.84Å; E162-E164 VanDerWaalsContact C-N 3.33Å; E162-E164 PolarHBondContact O-N 3.28Å; E162-F165 WeakPolarHBondContact O-CB 3.35Å; E162-F165 PolarHBondContact O-N 2.81Å; E162-F165 VanDerWaalsContact O-N 3.11Å; E162-H166 PolarHBondContact O-CD2 2.99Å; E162-H166 PolarHBondContact O-N 3.04Å; E162-W193 HydrophobicContact CG-CH2 3.93Å; E162-W193 HydrophobicContact CG-CZ2 4.02Å |
| 163 | K | 98.6 | Very high | 98.3 | Very high | 119 Ų | 119 | 83.6 Ų | 83.6 | 52% | 0.517 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -54.4 | -49 | 174.2 | 172.6 | 179.5 | 153.7 | -151.6 | 0 | 111.4 | L159 E160 F165 H166 F167 | L159-K163 WeakPolarHBondContact O-CB 3.44Å; L159-K163 PolarHBondContact O-N 3.04Å; E160-K163 PolarHBondContact O-N 3.09Å; E160-K163 IonicContact OE1-NZ 3.57Å; E160-K163 IonicContact OE2-NZ 2.88Å; E160-K163 PolarHBondContact OE2-NZ 3.35Å; K163-F165 VanDerWaalsContact C-N 3.34Å; K163-F165 PolarHBondContact O-N 3.21Å; K163-H166 PolarHBondContact O-N 3.5Å; K163-F167 PolarHBondContact O-N 3.42Å |
| 164 | E | 98.4 | Very high | 98.3 | Very high | 15 Ų | 15 | 88.9 Ų | 88.9 | 7% | 0.07 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64 | -37.6 | 176.7 | -72.6 | -63.2 | 132.1 | 0 | 0 | 112.6 | E160 E162 H166 F167 N168 R175 I179 F194 | E160-E164 WeakPolarHBondContact O-CB 3.43Å; E160-E164 WeakPolarHBondContact O-CG 3.31Å; E160-E164 PolarHBondContact O-N 3.43Å; E162-E164 VanDerWaalsContact C-N 3.33Å; E162-E164 PolarHBondContact O-N 3.28Å; E164-H166 VanDerWaalsContact C-N 3.33Å; E164-H166 PolarHBondContact O-N 3.36Å; E164-F167 PolarHBondContact O-N 3.34Å; E164-N168 PolarHBondContact O-N 2.59Å; E164-R175 IonicContact OE1-CZ 2.81Å; E164-R175 IonicContact OE1-NE 2.83Å; E164-R175 IonicContact OE1-NH2 3.34Å; E164-R175 PolarHBondContact OE1-NH2 3.47Å; E164-R175 IonicContact OE2-CZ 3.04Å; E164-R175 IonicContact OE2-NE 3.7Å; E164-R175 PolarHBondContact OE2-NE 2.94Å; E164-R175 IonicContact OE2-NH2 3.82Å; E164-R175 PolarHBondContact OE2-NH2 3.22Å; E164-I179 HydrophobicContact CB-CD1 4.02Å; E164-I179 HydrophobicContact CG-CD1 3.66Å; E164-I179 HydrophobicContact CG-CG1 4.07Å; E164-F194 HydrophobicContact CB-CZ 4.04Å |
| 165 | F | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 89.3 Ų | 89.3 | 0% | 0.004 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.7 | -36.6 | 177.2 | -177.6 | -99.4 | 0 | 0 | 0 | 112.9 | L161 E162 K163 N168 R169 W193 F194 R197 R198 W201 | L161-F165 WeakPolarHBondContact O-CB 3.33Å; L161-F165 PolarHBondContact O-N 3.13Å; E162-F165 WeakPolarHBondContact O-CB 3.35Å; E162-F165 PolarHBondContact O-N 2.81Å; E162-F165 VanDerWaalsContact O-N 3.11Å; K163-F165 VanDerWaalsContact C-N 3.34Å; K163-F165 PolarHBondContact O-N 3.21Å; F165-N168 CarbonylContact O-C 3.47Å; F165-N168 VanDerWaalsContact O-C 3.29Å; F165-R169 HydrophobicContact CE1-CG 4.16Å; F165-R169 HydrophobicContact CE2-CB 3.98Å; F165-R169 HydrophobicContact CE2-CG 4.01Å; F165-R169 HydrophobicContact CZ-CB 4.23Å; F165-R169 HydrophobicContact CZ-CG 3.8Å; F165-R169 PolarHBondContact O-N 3.03Å; F165-W193 HydrophobicContact CB-CH2 4.4Å; F165-W193 HydrophobicContact CB-CZ3 4.1Å; F165-F194 HydrophobicContact CB-CE1 4.19Å; F165-F194 HydrophobicContact CB-CZ 4.31Å; F165-F194 AromaticContact CD2-CD1 3.98Å; F165-F194 HydrophobicContact CD2-CD1 3.98Å; F165-F194 AromaticContact CD2-CE1 3.92Å; F165-F194 HydrophobicContact CD2-CE1 3.92Å; F165-R197 HydrophobicContact CB-CG 4.36Å; F165-R197 HydrophobicContact CD1-CG 3.69Å; F165-R197 HydrophobicContact CD2-CB 4.19Å; F165-R197 HydrophobicContact CD2-CG 3.57Å; F165-R197 HydrophobicContact CE1-CG 3.78Å; F165-R197 HydrophobicContact CE2-CB 4.2Å; F165-R197 HydrophobicContact CE2-CG 3.67Å; F165-R197 HydrophobicContact CG-CG 3.58Å; F165-R197 HydrophobicContact CZ-CG 3.77Å; F165-R198 HydrophobicContact CE2-CG 3.72Å; F165-R198 HydrophobicContact CZ-CG 4.26Å; F165-W201 HydrophobicContact CE1-CB 4.17Å; F165-W201 HydrophobicContact CE1-CG 4.14Å; F165-W201 HydrophobicContact CZ-CB 3.92Å; F165-W201 HydrophobicContact CZ-CG 4.07Å |
| 166 | H | 98 | Very high | 98.3 | Very high | 119 Ų | 119 | 82.6 Ų | 82.6 | 55% | 0.551 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -67.7 | -39.5 | 173.8 | -77.7 | -69 | 0 | 0 | 0 | 111.7 | E162 K163 E164 | E162-H166 PolarHBondContact O-CD2 2.99Å; E162-H166 PolarHBondContact O-N 3.04Å; K163-H166 PolarHBondContact O-N 3.5Å; E164-H166 VanDerWaalsContact C-N 3.33Å; E164-H166 PolarHBondContact O-N 3.36Å |
| 167 | F | 98.3 | Very high | 98.3 | Very high | 168 Ų | 168 | 78.6 Ų | 78.6 | 74% | 0.737 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -63.6 | -50.3 | 174 | 179.4 | -104.7 | 0 | 0 | 0 | 111.8 | K163 E164 | K163-F167 PolarHBondContact O-N 3.42Å; E164-F167 PolarHBondContact O-N 3.34Å |
| 168 | N | 97.1 | Very high | 98.3 | Very high | 72 Ų | 72 | 80.2 Ų | 80.2 | 39% | 0.385 | 36% | 0.357 | S | S | . | . | trans | -147.5 | 121.8 | 175.2 | -170.6 | -9.2 | 0 | 0 | 0 | 111.5 | E164 F165 Y170 | E164-N168 PolarHBondContact O-N 2.59Å; F165-N168 CarbonylContact O-C 3.47Å; F165-N168 VanDerWaalsContact O-C 3.29Å; N168-Y170 PolarHBondContact ND2-O 3.44Å; N168-Y170 PolarHBondContact O-N 2.72Å; N168-Y170 VanDerWaalsContact O-N 3.13Å; N168-Y170 PolarHBondContact OD1-N 2.89Å; N168-Y170 PolarHBondContact OD1-O 3.32Å | ||
| 169 | R | 97.6 | Very high | 98.3 | Very high | 86 Ų | 86 | 78.3 Ų | 78.3 | 33% | 0.325 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -66.3 | -15.5 | -179.7 | -70.4 | 176.8 | 164.9 | 69.1 | 0.3 | 113.5 | F165 R198 W201 | F165-R169 HydrophobicContact CE1-CG 4.16Å; F165-R169 HydrophobicContact CE2-CB 3.98Å; F165-R169 HydrophobicContact CE2-CG 4.01Å; F165-R169 HydrophobicContact CZ-CB 4.23Å; F165-R169 HydrophobicContact CZ-CG 3.8Å; F165-R169 PolarHBondContact O-N 3.03Å; R169-R198 WeakPolarHBondContact O-CD 3.45Å; R169-W201 VanDerWaalsContact NE-CE2 3.28Å |
| 170 | Y | 98.3 | Very high | 98.3 | Very high | 146 Ų | 146 | 74.7 Ų | 74.7 | 57% | 0.573 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -133 | 129.1 | -178.2 | -64.9 | -106.4 | 0 | 0 | 0 | 110.1 | N168 | N168-Y170 PolarHBondContact ND2-O 3.44Å; N168-Y170 PolarHBondContact O-N 2.72Å; N168-Y170 VanDerWaalsContact O-N 3.13Å; N168-Y170 PolarHBondContact OD1-N 2.89Å; N168-Y170 PolarHBondContact OD1-O 3.32Å |
| 171 | L | 98.3 | Very high | 98.3 | Very high | 28 Ų | 28 | 78.4 Ų | 78.4 | 15% | 0.147 | 34% | 0.344 | C | S | . | . | trans | -93 | 138 | 179.7 | -61.9 | -179.9 | 0 | 0 | 0 | 112.4 | R175 R176 I179 I190 F194 | L171-R175 HydrophobicContact CD2-CG 3.93Å; L171-R176 HydrophobicContact CD1-CB 4.47Å; L171-I179 HydrophobicContact CD1-CD1 3.83Å; L171-I179 HydrophobicContact CD2-CD1 3.83Å; L171-I179 HydrophobicContact CG-CD1 4.49Å; L171-I190 HydrophobicContact CD1-CG2 3.52Å; L171-F194 HydrophobicContact CD1-CD1 4.13Å; L171-F194 HydrophobicContact CD1-CD2 3.63Å; L171-F194 HydrophobicContact CD1-CE1 3.94Å; L171-F194 HydrophobicContact CD1-CE2 3.45Å; L171-F194 VanDerWaalsContact CD1-CE2 3.45Å; L171-F194 HydrophobicContact CD1-CG 3.99Å; L171-F194 HydrophobicContact CD1-CZ 3.61Å; L171-F194 HydrophobicContact CD2-CD1 4.45Å; L171-F194 HydrophobicContact CD2-CE1 3.7Å; L171-F194 HydrophobicContact CD2-CE2 4.39Å; L171-F194 HydrophobicContact CD2-CZ 3.67Å; L171-F194 HydrophobicContact CG-CD1 3.77Å; L171-F194 HydrophobicContact CG-CD2 4.21Å; L171-F194 HydrophobicContact CG-CE1 3.5Å; L171-F194 HydrophobicContact CG-CE2 4Å; L171-F194 HydrophobicContact CG-CG 4.12Å; L171-F194 HydrophobicContact CG-CZ 3.64Å | ||
| 172 | T | 98.6 | Very high | 98.3 | Very high | 85 Ų | 85 | 83.6 Ų | 83.6 | 52% | 0.521 | 38% | 0.376 | S | S | . | . | trans | -70.4 | 166.7 | 162.8 | 66.6 | 0 | 0 | 0 | 0 | 110.9 | R175 R176 | T172-R175 WeakPolarHBondContact OG1-CB 3.19Å; T172-R175 PolarHBondContact OG1-N 3.45Å; T172-R176 WeakPolarHBondContact O-CB 3.34Å; T172-R176 PolarHBondContact O-N 3.22Å; T172-R176 VanDerWaalsContact O-N 3.15Å | ||
| 173 | R | 98.3 | Very high | 98.3 | Very high | 139 Ų | 139 | 80.9 Ų | 80.9 | 53% | 0.525 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.3 | -48.7 | 177.1 | -179.6 | 67.9 | 179 | 91.1 | -10.7 | 111.5 | R176 I177 E187 | R173-R176 WeakPolarHBondContact O-CB 3.43Å; R173-R176 PolarHBondContact O-N 3.48Å; R173-I177 WeakPolarHBondContact O-CG1 3.37Å; R173-I177 PolarHBondContact O-N 3.47Å; R173-E187 IonicContact CZ-OE1 3.25Å; R173-E187 VanDerWaalsContact CZ-OE1 3.25Å; R173-E187 IonicContact CZ-OE2 3Å; R173-E187 IonicContact NE-OE2 3.82Å; R173-E187 IonicContact NH1-OE1 2.88Å; R173-E187 PolarHBondContact NH1-OE1 2.88Å; R173-E187 IonicContact NH1-OE2 2.66Å; R173-E187 PolarHBondContact NH1-OE2 2.98Å; R173-E187 IonicContact NH2-OE1 2.8Å; R173-E187 PolarHBondContact NH2-OE1 3.05Å; R173-E187 IonicContact NH2-OE2 3.19Å; R173-E187 PolarHBondContact NH2-OE2 2.95Å |
| 174 | R | 98.3 | Very high | 98.3 | Very high | 185 Ų | 185 | 80.6 Ų | 80.6 | 70% | 0.698 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -60.5 | -51.1 | -179.8 | 177.4 | 177.8 | 163.6 | 169.4 | -1 | 111.5 | R176 I177 E178 | R174-R176 PolarHBondContact O-N 3.45Å; R174-I177 WeakPolarHBondContact O-CB 3.48Å; R174-I177 PolarHBondContact O-N 3Å; R174-E178 WeakPolarHBondContact CG-OE1 3.29Å; R174-E178 IonicContact CZ-OE1 3.85Å; R174-E178 IonicContact NE-OE1 2.99Å; R174-E178 PolarHBondContact NE-OE1 3.21Å; R174-E178 IonicContact NH2-OE1 3.81Å; R174-E178 PolarHBondContact O-N 3.04Å |
| 175 | R | 98.5 | Very high | 98.3 | Very high | 85 Ų | 85 | 80.7 Ų | 80.7 | 32% | 0.321 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.8 | -34.6 | -178.6 | -172.6 | 56 | 176 | 177.1 | -1.5 | 112.6 | E164 L171 T172 I177 E178 I179 | E164-R175 IonicContact OE1-CZ 2.81Å; E164-R175 IonicContact OE1-NE 2.83Å; E164-R175 IonicContact OE1-NH2 3.34Å; E164-R175 PolarHBondContact OE1-NH2 3.47Å; E164-R175 IonicContact OE2-CZ 3.04Å; E164-R175 IonicContact OE2-NE 3.7Å; E164-R175 PolarHBondContact OE2-NE 2.94Å; E164-R175 IonicContact OE2-NH2 3.82Å; E164-R175 PolarHBondContact OE2-NH2 3.22Å; L171-R175 HydrophobicContact CD2-CG 3.93Å; T172-R175 WeakPolarHBondContact OG1-CB 3.19Å; T172-R175 PolarHBondContact OG1-N 3.45Å; R175-I177 VanDerWaalsContact C-N 3.34Å; R175-I177 PolarHBondContact O-N 3.3Å; R175-E178 VanDerWaalsContact CD-OE2 3.29Å; R175-E178 WeakPolarHBondContact CD-OE2 3.2Å; R175-E178 IonicContact CZ-OE2 2.68Å; R175-E178 IonicContact NH1-OE2 3.96Å; R175-E178 PolarHBondContact NH1-OE2 3.42Å; R175-E178 PolarHBondContact O-N 3.4Å; R175-I179 HydrophobicContact CG-CD1 3.89Å; R175-I179 HydrophobicContact CG-CG1 4.46Å; R175-I179 WeakPolarHBondContact O-CG1 3.46Å; R175-I179 PolarHBondContact O-N 3.23Å; R175-I179 VanDerWaalsContact O-N 3.09Å |
| 176 | R | 98.6 | Very high | 98.3 | Very high | 60 Ų | 60 | 83.4 Ų | 83.4 | 23% | 0.226 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.2 | -39 | 175.2 | -171.2 | -174.3 | -49.5 | -172.1 | 4.7 | 113.1 | L171 T172 R173 R174 A180 E187 I190 | L171-R176 HydrophobicContact CD1-CB 4.47Å; T172-R176 WeakPolarHBondContact O-CB 3.34Å; T172-R176 PolarHBondContact O-N 3.22Å; T172-R176 VanDerWaalsContact O-N 3.15Å; R173-R176 WeakPolarHBondContact O-CB 3.43Å; R173-R176 PolarHBondContact O-N 3.48Å; R174-R176 PolarHBondContact O-N 3.45Å; R176-A180 WeakPolarHBondContact O-CB 3.35Å; R176-A180 PolarHBondContact O-N 2.83Å; R176-E187 HydrophobicContact CG-CB 4.29Å; R176-I190 HydrophobicContact CG-CB 4.12Å; R176-I190 HydrophobicContact CG-CG2 3.95Å |
| 177 | I | 98.6 | Very high | 98.3 | Very high | 56 Ų | 56 | 80.6 Ų | 80.6 | 29% | 0.287 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.4 | -48.2 | 176.6 | -58.3 | 169.3 | 0 | 0 | 0 | 109.5 | R173 R174 R175 I179 A180 H181 | R173-I177 WeakPolarHBondContact O-CG1 3.37Å; R173-I177 PolarHBondContact O-N 3.47Å; R174-I177 WeakPolarHBondContact O-CB 3.48Å; R174-I177 PolarHBondContact O-N 3Å; R175-I177 VanDerWaalsContact C-N 3.34Å; R175-I177 PolarHBondContact O-N 3.3Å; I177-I179 PolarHBondContact O-N 3.49Å; I177-A180 WeakPolarHBondContact O-CB 3.42Å; I177-A180 PolarHBondContact O-N 3.06Å; I177-H181 PolarHBondContact O-CD2 2.9Å; I177-H181 PolarHBondContact O-N 3.04Å |
| 178 | E | 98.5 | Very high | 98.3 | Very high | 64 Ų | 64 | 81 Ų | 81 | 30% | 0.299 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -56 | -51.8 | -178.6 | -65.6 | 170 | -174.3 | 0 | 0 | 110.9 | R174 R175 A180 H181 T182 | R174-E178 WeakPolarHBondContact CG-OE1 3.29Å; R174-E178 IonicContact CZ-OE1 3.85Å; R174-E178 IonicContact NE-OE1 2.99Å; R174-E178 PolarHBondContact NE-OE1 3.21Å; R174-E178 IonicContact NH2-OE1 3.81Å; R174-E178 PolarHBondContact O-N 3.04Å; R175-E178 VanDerWaalsContact CD-OE2 3.29Å; R175-E178 WeakPolarHBondContact CD-OE2 3.2Å; R175-E178 IonicContact CZ-OE2 2.68Å; R175-E178 IonicContact NH1-OE2 3.96Å; R175-E178 PolarHBondContact NH1-OE2 3.42Å; R175-E178 PolarHBondContact O-N 3.4Å; E178-A180 PolarHBondContact O-N 3.37Å; E178-H181 PolarHBondContact O-N 3.45Å; E178-T182 PolarHBondContact O-N 3.32Å; E178-T182 VanDerWaalsContact O-N 3.09Å; E178-T182 PolarHBondContact O-OG1 3.01Å; E178-T182 VanDerWaalsContact O-OG1 3.07Å |
| 179 | I | 98.4 | Very high | 98.3 | Very high | 7 Ų | 7 | 80.4 Ų | 80.4 | 4% | 0.036 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.2 | -40.4 | 179.4 | -61.6 | 164.9 | 0 | 0 | 0 | 111.6 | L161 E164 L171 R175 I177 H181 T182 L183 I190 | L161-I179 HydrophobicContact CD2-CG2 4.17Å; E164-I179 HydrophobicContact CB-CD1 4.02Å; E164-I179 HydrophobicContact CG-CD1 3.66Å; E164-I179 HydrophobicContact CG-CG1 4.07Å; L171-I179 HydrophobicContact CD1-CD1 3.83Å; L171-I179 HydrophobicContact CD2-CD1 3.83Å; L171-I179 HydrophobicContact CG-CD1 4.49Å; R175-I179 HydrophobicContact CG-CD1 3.89Å; R175-I179 HydrophobicContact CG-CG1 4.46Å; R175-I179 WeakPolarHBondContact O-CG1 3.46Å; R175-I179 PolarHBondContact O-N 3.23Å; R175-I179 VanDerWaalsContact O-N 3.09Å; I177-I179 PolarHBondContact O-N 3.49Å; I179-H181 VanDerWaalsContact C-N 3.31Å; I179-H181 PolarHBondContact O-N 2.93Å; I179-T182 PolarHBondContact O-N 2.84Å; I179-L183 HydrophobicContact CG2-CD1 3.66Å; I179-L183 HydrophobicContact CG2-CG 4.14Å; I179-L183 WeakPolarHBondContact O-CB 3.42Å; I179-L183 WeakPolarHBondContact O-CG 3.43Å; I179-L183 PolarHBondContact O-N 3.43Å; I179-I190 HydrophobicContact CG2-CD1 3.9Å |
| 180 | A | 98.6 | Very high | 98.4 | Very high | 4 Ų | 4 | 76.3 Ų | 76.3 | 3% | 0.033 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.4 | -45.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | R176 I177 E178 C184 L185 E187 I190 | R176-A180 WeakPolarHBondContact O-CB 3.35Å; R176-A180 PolarHBondContact O-N 2.83Å; I177-A180 WeakPolarHBondContact O-CB 3.42Å; I177-A180 PolarHBondContact O-N 3.06Å; E178-A180 PolarHBondContact O-N 3.37Å; A180-C184 PolarHBondContact O-N 2.88Å; A180-C184 VanDerWaalsContact O-N 3.09Å; A180-L185 CarbonylContact C-O 3.29Å; A180-L185 WeakPolarHBondContact CA-O 3.38Å; A180-L185 WeakPolarHBondContact CB-O 3.39Å; A180-L185 PolarHBondContact O-N 2.66Å; A180-L185 VanDerWaalsContact O-O 3.09Å; A180-E187 HydrophobicContact CB-CG 4.24Å; A180-I190 HydrophobicContact CB-CG1 4.05Å |
| 181 | H | 98.5 | Very high | 98.4 | Very high | 139 Ų | 139 | 75.4 Ų | 75.4 | 64% | 0.644 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -67.6 | -45.9 | 178.6 | -66.5 | -176.3 | 0 | 0 | 0 | 111.7 | I177 E178 I179 L183 C184 | I177-H181 PolarHBondContact O-CD2 2.9Å; I177-H181 PolarHBondContact O-N 3.04Å; E178-H181 PolarHBondContact O-N 3.45Å; I179-H181 VanDerWaalsContact C-N 3.31Å; I179-H181 PolarHBondContact O-N 2.93Å; H181-L183 VanDerWaalsContact C-N 3.3Å; H181-L183 PolarHBondContact O-N 2.91Å; H181-C184 PolarHBondContact O-N 3.19Å |
| 182 | T | 98 | Very high | 98.4 | Very high | 110 Ų | 110 | 76.8 Ų | 76.8 | 68% | 0.675 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -62.3 | -35.6 | -179.6 | -55.7 | 0 | 0 | 0 | 0 | 112.9 | E178 I179 | E178-T182 PolarHBondContact O-N 3.32Å; E178-T182 VanDerWaalsContact O-N 3.09Å; E178-T182 PolarHBondContact O-OG1 3.01Å; E178-T182 VanDerWaalsContact O-OG1 3.07Å; I179-T182 PolarHBondContact O-N 2.84Å |
| 183 | L | 98.1 | Very high | 98.4 | Very high | 10 Ų | 10 | 74.1 Ų | 74.1 | 5% | 0.052 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -97.3 | -0.1 | -176.3 | -59.8 | -173.7 | 0 | 0 | 0 | 114.1 | Q157 E160 L161 I179 H181 L185 | Q157-L183 HydrophobicContact CG-CB 4.31Å; Q157-L183 PolarHBondContact NE2-O 3.27Å; E160-L183 HydrophobicContact CB-CD1 4.12Å; E160-L183 HydrophobicContact CB-CD2 3.71Å; E160-L183 HydrophobicContact CB-CG 4.48Å; E160-L183 HydrophobicContact CG-CD2 3.97Å; L161-L183 HydrophobicContact CD1-CD1 4.4Å; L161-L183 HydrophobicContact CD2-CD1 3.88Å; L161-L183 HydrophobicContact CG-CD1 3.7Å; I179-L183 HydrophobicContact CG2-CD1 3.66Å; I179-L183 HydrophobicContact CG2-CG 4.14Å; I179-L183 WeakPolarHBondContact O-CB 3.42Å; I179-L183 WeakPolarHBondContact O-CG 3.43Å; I179-L183 PolarHBondContact O-N 3.43Å; H181-L183 VanDerWaalsContact C-N 3.3Å; H181-L183 PolarHBondContact O-N 2.91Å; L183-L185 HydrophobicContact CB-CD1 4.2Å; L183-L185 HydrophobicContact CB-CG 4.17Å; L183-L185 PolarHBondContact O-N 3.39Å |
| 184 | C | 98.3 | Very high | 98.4 | Very high | 113 Ų | 113 | 67.9 Ų | 67.9 | 76% | 0.764 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 43 | -172.7 | -53.6 | 0 | 0 | 0 | 0 | 112.6 | A180 H181 | A180-C184 PolarHBondContact O-N 2.88Å; A180-C184 VanDerWaalsContact O-N 3.09Å; H181-C184 PolarHBondContact O-N 3.19Å |
| 185 | L | 97.9 | Very high | 98.4 | Very high | 18 Ų | 18 | 63 Ų | 63 | 9% | 0.094 | 31% | 0.306 | C | S | . | . | trans | -117.6 | 150.3 | 177 | -66 | 179.2 | 0 | 0 | 0 | 109.7 | Y153 L161 A180 L183 Q189 I190 | Y153-L185 HydrophobicContact CD1-CD1 4.07Å; Y153-L185 HydrophobicContact CD1-CD2 3.89Å; Y153-L185 HydrophobicContact CE1-CD1 3.96Å; Y153-L185 HydrophobicContact CE1-CD2 3.68Å; Y153-L185 HydrophobicContact CE1-CG 4.49Å; L161-L185 HydrophobicContact CD1-CD1 4.33Å; A180-L185 CarbonylContact C-O 3.29Å; A180-L185 WeakPolarHBondContact CA-O 3.38Å; A180-L185 WeakPolarHBondContact CB-O 3.39Å; A180-L185 PolarHBondContact O-N 2.66Å; A180-L185 VanDerWaalsContact O-O 3.09Å; L183-L185 HydrophobicContact CB-CD1 4.2Å; L183-L185 HydrophobicContact CB-CG 4.17Å; L183-L185 PolarHBondContact O-N 3.39Å; L185-Q189 HydrophobicContact CB-CB 4.35Å; L185-I190 HydrophobicContact CB-CD1 3.89Å; L185-I190 HydrophobicContact CB-CG1 4.43Å; L185-I190 HydrophobicContact CD1-CD1 3.9Å | ||
| 186 | S | 98.5 | Very high | 98.4 | Very high | 57 Ų | 57 | 63.9 Ų | 63.9 | 40% | 0.399 | 32% | 0.317 | S | S | . | . | trans | -68 | 149.5 | 171.5 | 64.9 | 0 | 0 | 0 | 0 | 111.2 | R188 Q189 I190 | S186-R188 PolarHBondContact O-N 2.8Å; S186-R188 VanDerWaalsContact O-N 3.07Å; S186-Q189 WeakPolarHBondContact O-CA 3.44Å; S186-Q189 WeakPolarHBondContact O-CB 3.42Å; S186-Q189 PolarHBondContact O-N 3.38Å; S186-Q189 VanDerWaalsContact OG-CG 3.29Å; S186-Q189 WeakPolarHBondContact OG-CG 3.49Å; S186-Q189 PolarHBondContact OG-N 3.15Å; S186-Q189 PolarHBondContact OG-OE1 3.03Å; S186-I190 PolarHBondContact O-N 3.18Å; S186-I190 VanDerWaalsContact O-N 3.1Å | ||
| 187 | E | 98.4 | Very high | 98.4 | Very high | 60 Ų | 60 | 62.8 Ų | 62.8 | 28% | 0.28 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -53.8 | -32.9 | 173.4 | -64 | -169.3 | -144.8 | 0 | 0 | 113.4 | R173 R176 A180 I190 K191 | R173-E187 IonicContact CZ-OE1 3.25Å; R173-E187 VanDerWaalsContact CZ-OE1 3.25Å; R173-E187 IonicContact CZ-OE2 3Å; R173-E187 IonicContact NE-OE2 3.82Å; R173-E187 IonicContact NH1-OE1 2.88Å; R173-E187 PolarHBondContact NH1-OE1 2.88Å; R173-E187 IonicContact NH1-OE2 2.66Å; R173-E187 PolarHBondContact NH1-OE2 2.98Å; R173-E187 IonicContact NH2-OE1 2.8Å; R173-E187 PolarHBondContact NH2-OE1 3.05Å; R173-E187 IonicContact NH2-OE2 3.19Å; R173-E187 PolarHBondContact NH2-OE2 2.95Å; R176-E187 HydrophobicContact CG-CB 4.29Å; A180-E187 HydrophobicContact CB-CG 4.24Å; E187-I190 PolarHBondContact O-N 3.23Å; E187-K191 WeakPolarHBondContact O-CB 3.48Å; E187-K191 PolarHBondContact O-N 3.09Å |
| 188 | R | 98.1 | Very high | 98.3 | Very high | 177 Ų | 177 | 63 Ų | 63 | 67% | 0.668 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63.6 | -43.1 | 175.8 | -175.5 | 179.6 | -175.2 | -83.3 | -2.1 | 111.1 | S186 K191 I192 | S186-R188 PolarHBondContact O-N 2.8Å; S186-R188 VanDerWaalsContact O-N 3.07Å; R188-K191 PolarHBondContact O-N 3.49Å; R188-I192 HydrophobicContact CG-CD1 3.9Å; R188-I192 WeakPolarHBondContact O-CB 3.27Å; R188-I192 VanDerWaalsContact O-CG1 3.27Å; R188-I192 WeakPolarHBondContact O-CG1 3.36Å; R188-I192 PolarHBondContact O-N 3.02Å |
| 189 | Q | 98.3 | Very high | 98.3 | Very high | 60 Ų | 60 | 64.7 Ų | 64.7 | 28% | 0.28 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63 | -45.4 | 175.6 | -75.7 | 163.6 | -55.6 | 0 | 0 | 110.8 | L185 S186 K191 I192 W193 | L185-Q189 HydrophobicContact CB-CB 4.35Å; S186-Q189 WeakPolarHBondContact O-CA 3.44Å; S186-Q189 WeakPolarHBondContact O-CB 3.42Å; S186-Q189 PolarHBondContact O-N 3.38Å; S186-Q189 VanDerWaalsContact OG-CG 3.29Å; S186-Q189 WeakPolarHBondContact OG-CG 3.49Å; S186-Q189 PolarHBondContact OG-N 3.15Å; S186-Q189 PolarHBondContact OG-OE1 3.03Å; Q189-K191 VanDerWaalsContact C-N 3.35Å; Q189-K191 PolarHBondContact O-N 3.3Å; Q189-I192 PolarHBondContact O-N 2.86Å; Q189-W193 WeakPolarHBondContact O-CB 3.32Å; Q189-W193 PolarHBondContact O-N 2.8Å |
| 190 | I | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.1 | -47.7 | 175.3 | -54.8 | -58.2 | 0 | 0 | 0 | 110.8 | L161 L171 R176 I179 A180 L185 S186 E187 I192 W193 F194 | L161-I190 HydrophobicContact CD2-CD1 3.79Å; L171-I190 HydrophobicContact CD1-CG2 3.52Å; R176-I190 HydrophobicContact CG-CB 4.12Å; R176-I190 HydrophobicContact CG-CG2 3.95Å; I179-I190 HydrophobicContact CG2-CD1 3.9Å; A180-I190 HydrophobicContact CB-CG1 4.05Å; L185-I190 HydrophobicContact CB-CD1 3.89Å; L185-I190 HydrophobicContact CB-CG1 4.43Å; L185-I190 HydrophobicContact CD1-CD1 3.9Å; S186-I190 PolarHBondContact O-N 3.18Å; S186-I190 VanDerWaalsContact O-N 3.1Å; E187-I190 PolarHBondContact O-N 3.23Å; I190-I192 PolarHBondContact O-N 3.38Å; I190-W193 PolarHBondContact O-N 2.88Å; I190-F194 HydrophobicContact CG2-CD2 4.05Å; I190-F194 HydrophobicContact CG2-CE2 4.25Å; I190-F194 WeakPolarHBondContact O-CD2 2.89Å; I190-F194 PolarHBondContact O-N 3.43Å |
| 191 | K | 98.3 | Very high | 98 | Very high | 127 Ų | 127 | 73.6 Ų | 73.6 | 55% | 0.552 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -57.9 | -47.7 | 177.1 | 171.9 | -179.7 | 155.8 | 178.5 | 0 | 112.2 | E187 R188 Q189 Q195 | E187-K191 WeakPolarHBondContact O-CB 3.48Å; E187-K191 PolarHBondContact O-N 3.09Å; R188-K191 PolarHBondContact O-N 3.49Å; Q189-K191 VanDerWaalsContact C-N 3.35Å; Q189-K191 PolarHBondContact O-N 3.3Å; K191-Q195 WeakPolarHBondContact O-CB 3.45Å; K191-Q195 PolarHBondContact O-N 2.91Å |
| 192 | I | 98.4 | Very high | 97.8 | Very high | 56 Ų | 56 | 72 Ų | 72 | 29% | 0.287 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 179.9 | -71.2 | 169.1 | 0 | 0 | 0 | 110.4 | R188 Q189 I190 F194 Q195 N196 | R188-I192 HydrophobicContact CG-CD1 3.9Å; R188-I192 WeakPolarHBondContact O-CB 3.27Å; R188-I192 VanDerWaalsContact O-CG1 3.27Å; R188-I192 WeakPolarHBondContact O-CG1 3.36Å; R188-I192 PolarHBondContact O-N 3.02Å; Q189-I192 PolarHBondContact O-N 2.86Å; I190-I192 PolarHBondContact O-N 3.38Å; I192-F194 PolarHBondContact O-N 2.73Å; I192-Q195 WeakPolarHBondContact O-CB 3.47Å; I192-Q195 PolarHBondContact O-N 3.05Å; I192-N196 VanDerWaalsContact O-CG 3.28Å; I192-N196 PolarHBondContact O-N 3.47Å; I192-N196 PolarHBondContact O-ND2 3.42Å |
| 193 | W | 98.5 | Very high | 97.6 | Very high | 30 Ų | 30 | 75 Ų | 75 | 11% | 0.114 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.3 | -48.1 | 178.3 | -169.1 | 101.1 | 0 | 0 | 0 | 111.1 | Y153 L161 E162 F165 Q189 I190 Q195 N196 R197 | Y153-W193 AromaticContact CD2-CD1 3.88Å; Y153-W193 AromaticContact CE2-CD1 3.65Å; L161-W193 VanDerWaalsContact C-CH2 3.49Å; L161-W193 HydrophobicContact CB-CD2 3.93Å; L161-W193 HydrophobicContact CB-CE3 3.92Å; L161-W193 HydrophobicContact CB-CH2 3.6Å; L161-W193 HydrophobicContact CB-CZ2 3.58Å; L161-W193 HydrophobicContact CB-CZ3 3.76Å; L161-W193 HydrophobicContact CD1-CD2 3.86Å; L161-W193 HydrophobicContact CD1-CG 3.83Å; L161-W193 HydrophobicContact CD1-CZ2 4.47Å; L161-W193 HydrophobicContact CD2-CD2 4.34Å; L161-W193 HydrophobicContact CD2-CE3 4.26Å; L161-W193 HydrophobicContact CG-CD2 4.27Å; L161-W193 HydrophobicContact CG-CE3 4.47Å; L161-W193 WeakPolarHBondContact O-CH2 3.34Å; L161-W193 WeakPolarHBondContact O-CZ3 3.33Å; E162-W193 HydrophobicContact CG-CH2 3.93Å; E162-W193 HydrophobicContact CG-CZ2 4.02Å; F165-W193 HydrophobicContact CB-CH2 4.4Å; F165-W193 HydrophobicContact CB-CZ3 4.1Å; Q189-W193 WeakPolarHBondContact O-CB 3.32Å; Q189-W193 PolarHBondContact O-N 2.8Å; I190-W193 PolarHBondContact O-N 2.88Å; W193-Q195 VanDerWaalsContact C-N 3.31Å; W193-Q195 PolarHBondContact O-N 3.15Å; W193-N196 PolarHBondContact O-N 3Å; W193-R197 HydrophobicContact CE3-CB 3.91Å; W193-R197 HydrophobicContact CE3-CG 4.45Å; W193-R197 HydrophobicContact CH2-CB 4.04Å; W193-R197 HydrophobicContact CH2-CG 3.75Å; W193-R197 HydrophobicContact CZ3-CB 3.65Å; W193-R197 HydrophobicContact CZ3-CG 3.69Å; W193-R197 WeakPolarHBondContact O-CB 3.48Å; W193-R197 PolarHBondContact O-N 3.19Å |
| 194 | F | 98.7 | Very high | 97.2 | Very high | 7 Ų | 7 | 78.9 Ų | 78.9 | 3% | 0.031 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.5 | -33.2 | 176.9 | -91.6 | -103.5 | 0 | 0 | 0 | 112.9 | L161 E164 F165 L171 I190 I192 R198 | L161-F194 HydrophobicContact CD2-CE2 4.04Å; E164-F194 HydrophobicContact CB-CZ 4.04Å; F165-F194 HydrophobicContact CB-CE1 4.19Å; F165-F194 HydrophobicContact CB-CZ 4.31Å; F165-F194 AromaticContact CD2-CD1 3.98Å; F165-F194 HydrophobicContact CD2-CD1 3.98Å; F165-F194 AromaticContact CD2-CE1 3.92Å; F165-F194 HydrophobicContact CD2-CE1 3.92Å; L171-F194 HydrophobicContact CD1-CD1 4.13Å; L171-F194 HydrophobicContact CD1-CD2 3.63Å; L171-F194 HydrophobicContact CD1-CE1 3.94Å; L171-F194 HydrophobicContact CD1-CE2 3.45Å; L171-F194 VanDerWaalsContact CD1-CE2 3.45Å; L171-F194 HydrophobicContact CD1-CG 3.99Å; L171-F194 HydrophobicContact CD1-CZ 3.61Å; L171-F194 HydrophobicContact CD2-CD1 4.45Å; L171-F194 HydrophobicContact CD2-CE1 3.7Å; L171-F194 HydrophobicContact CD2-CE2 4.39Å; L171-F194 HydrophobicContact CD2-CZ 3.67Å; L171-F194 HydrophobicContact CG-CD1 3.77Å; L171-F194 HydrophobicContact CG-CD2 4.21Å; L171-F194 HydrophobicContact CG-CE1 3.5Å; L171-F194 HydrophobicContact CG-CE2 4Å; L171-F194 HydrophobicContact CG-CG 4.12Å; L171-F194 HydrophobicContact CG-CZ 3.64Å; I190-F194 HydrophobicContact CG2-CD2 4.05Å; I190-F194 HydrophobicContact CG2-CE2 4.25Å; I190-F194 WeakPolarHBondContact O-CD2 2.89Å; I190-F194 PolarHBondContact O-N 3.43Å; I192-F194 PolarHBondContact O-N 2.73Å; F194-R198 WeakPolarHBondContact O-CB 3.35Å; F194-R198 WeakPolarHBondContact O-CG 3.44Å; F194-R198 PolarHBondContact O-N 2.83Å; F194-R198 PolarHBondContact O-NE 3.17Å |
| 195 | Q | 98.6 | Very high | 96.5 | Very high | 84 Ų | 84 | 78.9 Ų | 78.9 | 39% | 0.393 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.5 | -49.9 | 172.5 | -173.3 | 64 | 49.8 | 0 | 0 | 110.9 | K191 I192 W193 R197 R198 M199 | K191-Q195 WeakPolarHBondContact O-CB 3.45Å; K191-Q195 PolarHBondContact O-N 2.91Å; I192-Q195 WeakPolarHBondContact O-CB 3.47Å; I192-Q195 PolarHBondContact O-N 3.05Å; W193-Q195 VanDerWaalsContact C-N 3.31Å; W193-Q195 PolarHBondContact O-N 3.15Å; Q195-R197 VanDerWaalsContact C-N 3.33Å; Q195-R197 PolarHBondContact O-N 2.85Å; Q195-R198 PolarHBondContact O-N 3.2Å; Q195-M199 WeakPolarHBondContact O-CG 3.47Å; Q195-M199 PolarHBondContact O-N 3.18Å |
| 196 | N | 98.2 | Very high | 95 | Very high | 102 Ų | 102 | 85.3 Ų | 85.3 | 55% | 0.545 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 178.1 | -68.8 | -17.7 | 0 | 0 | 0 | 111.4 | I192 W193 R198 M199 K200 | I192-N196 VanDerWaalsContact O-CG 3.28Å; I192-N196 PolarHBondContact O-N 3.47Å; I192-N196 PolarHBondContact O-ND2 3.42Å; W193-N196 PolarHBondContact O-N 3Å; N196-R198 PolarHBondContact O-N 2.92Å; N196-M199 PolarHBondContact O-N 3.12Å; N196-K200 PolarHBondContact O-N 3.35Å |
| 197 | R | 98.3 | Very high | 93.1 | Very high | 37 Ų | 37 | 90 Ų | 90 | 14% | 0.14 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 179.7 | -174.6 | 64.9 | -172.3 | 110.1 | -9.2 | 111.8 | F165 W193 Q195 K200 W201 | F165-R197 HydrophobicContact CB-CG 4.36Å; F165-R197 HydrophobicContact CD1-CG 3.69Å; F165-R197 HydrophobicContact CD2-CB 4.19Å; F165-R197 HydrophobicContact CD2-CG 3.57Å; F165-R197 HydrophobicContact CE1-CG 3.78Å; F165-R197 HydrophobicContact CE2-CB 4.2Å; F165-R197 HydrophobicContact CE2-CG 3.67Å; F165-R197 HydrophobicContact CG-CG 3.58Å; F165-R197 HydrophobicContact CZ-CG 3.77Å; W193-R197 HydrophobicContact CE3-CB 3.91Å; W193-R197 HydrophobicContact CE3-CG 4.45Å; W193-R197 HydrophobicContact CH2-CB 4.04Å; W193-R197 HydrophobicContact CH2-CG 3.75Å; W193-R197 HydrophobicContact CZ3-CB 3.65Å; W193-R197 HydrophobicContact CZ3-CG 3.69Å; W193-R197 WeakPolarHBondContact O-CB 3.48Å; W193-R197 PolarHBondContact O-N 3.19Å; Q195-R197 VanDerWaalsContact C-N 3.33Å; Q195-R197 PolarHBondContact O-N 2.85Å; R197-K200 PolarHBondContact O-N 2.94Å; R197-W201 VanDerWaalsContact O-CB 3.32Å; R197-W201 WeakPolarHBondContact O-CB 3.32Å; R197-W201 PolarHBondContact O-N 3.4Å |
| 198 | R | 97.8 | Very high | 91.2 | Very high | 62 Ų | 62 | 93.3 Ų | 93.3 | 23% | 0.234 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 173.4 | -76 | -176.2 | -70.4 | 150.1 | 1.3 | 112.5 | F165 R169 F194 Q195 N196 W201 K202 | F165-R198 HydrophobicContact CE2-CG 3.72Å; F165-R198 HydrophobicContact CZ-CG 4.26Å; R169-R198 WeakPolarHBondContact O-CD 3.45Å; F194-R198 WeakPolarHBondContact O-CB 3.35Å; F194-R198 WeakPolarHBondContact O-CG 3.44Å; F194-R198 PolarHBondContact O-N 2.83Å; F194-R198 PolarHBondContact O-NE 3.17Å; Q195-R198 PolarHBondContact O-N 3.2Å; N196-R198 PolarHBondContact O-N 2.92Å; R198-W201 PolarHBondContact O-N 3.34Å; R198-K202 WeakPolarHBondContact O-CB 3.4Å; R198-K202 PolarHBondContact O-N 3.26Å |
| 199 | M | 97.6 | Very high | 88.8 | Confident | 99 Ų | 99 | 92 Ų | 92 | 49% | 0.488 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 176.4 | -66.6 | -62.7 | -93.7 | 0 | 0 | 111.6 | Q195 N196 K202 K203 | Q195-M199 WeakPolarHBondContact O-CG 3.47Å; Q195-M199 PolarHBondContact O-N 3.18Å; N196-M199 PolarHBondContact O-N 3.12Å; M199-K202 PolarHBondContact O-N 3.33Å; M199-K203 PolarHBondContact O-N 3.48Å |
| 200 | K | 96.3 | Very high | 86.4 | Confident | 120 Ų | 120 | 94.9 Ų | 94.9 | 52% | 0.522 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.2 | -49.9 | 173.9 | -178.5 | 177.6 | 178 | -170.8 | 0 | 111.4 | N196 R197 K202 K203 D204 | N196-K200 PolarHBondContact O-N 3.35Å; R197-K200 PolarHBondContact O-N 2.94Å; K200-K202 VanDerWaalsContact C-N 3.29Å; K200-K202 PolarHBondContact O-N 3.39Å; K200-K203 WeakPolarHBondContact O-CA 3.32Å; K200-K203 WeakPolarHBondContact O-CB 3.35Å; K200-K203 PolarHBondContact O-N 3.29Å; K200-D204 VanDerWaalsContact CG-OD2 3.31Å; K200-D204 WeakPolarHBondContact CG-OD2 3.14Å; K200-D204 PolarHBondContact O-N 3.06Å |
| 201 | W | 95.2 | Very high | 84.2 | Confident | 78 Ų | 78 | 105.1 Ų | 105.1 | 30% | 0.295 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -56.3 | -43.3 | 176.8 | -178 | 81.3 | 0 | 0 | 0 | 111.9 | F165 R169 R197 R198 K203 D204 H205 | F165-W201 HydrophobicContact CE1-CB 4.17Å; F165-W201 HydrophobicContact CE1-CG 4.14Å; F165-W201 HydrophobicContact CZ-CB 3.92Å; F165-W201 HydrophobicContact CZ-CG 4.07Å; R169-W201 VanDerWaalsContact NE-CE2 3.28Å; R197-W201 VanDerWaalsContact O-CB 3.32Å; R197-W201 WeakPolarHBondContact O-CB 3.32Å; R197-W201 PolarHBondContact O-N 3.4Å; R198-W201 PolarHBondContact O-N 3.34Å; W201-K203 VanDerWaalsContact C-N 3.34Å; W201-K203 PolarHBondContact O-N 3.14Å; W201-D204 PolarHBondContact O-N 3.22Å; W201-H205 AromaticContact CD1-CD2 3.15Å; W201-H205 AromaticContact CD1-NE2 3.28Å; W201-H205 VanDerWaalsContact CD1-NE2 3.28Å; W201-H205 AromaticContact CD2-CD2 3.97Å; W201-H205 AromaticContact CE2-CD2 3.53Å; W201-H205 AromaticContact CE2-CG 3.78Å; W201-H205 AromaticContact CE2-NE2 3.94Å; W201-H205 AromaticContact CG-CD2 3.75Å; W201-H205 HydrophobicContact CZ2-CB 4.25Å; W201-H205 AromaticContact NE1-CD2 2.95Å; W201-H205 PolarHBondContact NE1-CD2 3.08Å; W201-H205 AromaticContact NE1-CE1 3.65Å; W201-H205 AromaticContact NE1-CG 3.57Å; W201-H205 AromaticContact NE1-ND1 3.96Å; W201-H205 AromaticContact NE1-NE2 2.96Å; W201-H205 PolarHBondContact NE1-NE2 3.2Å; W201-H205 WeakPolarHBondContact O-CB 3.32Å; W201-H205 PolarHBondContact O-CD2 2.71Å; W201-H205 VanDerWaalsContact O-CD2 3.25Å; W201-H205 PolarHBondContact O-N 3.35Å |
| 202 | K | 94.2 | Very high | 81.9 | Confident | 105 Ų | 105 | 102.1 Ų | 102.1 | 46% | 0.457 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.6 | -44.5 | 174.6 | -175.3 | -178.5 | 66.8 | 173 | 0 | 111.2 | R198 M199 K200 K206 | R198-K202 WeakPolarHBondContact O-CB 3.4Å; R198-K202 PolarHBondContact O-N 3.26Å; M199-K202 PolarHBondContact O-N 3.33Å; K200-K202 VanDerWaalsContact C-N 3.29Å; K200-K202 PolarHBondContact O-N 3.39Å; K202-K206 HydrophobicContact CG-CG 4.49Å; K202-K206 WeakPolarHBondContact O-CG 3.34Å; K202-K206 PolarHBondContact O-N 3.44Å |
| 203 | K | 93.3 | Very high | 79.7 | Confident | 172 Ų | 172 | 111.3 Ų | 111.3 | 75% | 0.748 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.5 | -43.3 | 178.1 | -176 | -179.1 | 173.5 | -178.6 | 0 | 111.7 | M199 K200 W201 | M199-K203 PolarHBondContact O-N 3.48Å; K200-K203 WeakPolarHBondContact O-CA 3.32Å; K200-K203 WeakPolarHBondContact O-CB 3.35Å; K200-K203 PolarHBondContact O-N 3.29Å; W201-K203 VanDerWaalsContact C-N 3.34Å; W201-K203 PolarHBondContact O-N 3.14Å |
| 204 | D | 89.6 | Confident | 77.3 | Confident | 92 Ų | 92 | 115.4 Ų | 115.4 | 49% | 0.492 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -74.8 | -30 | -174.9 | -58.1 | -15.4 | 0 | 0 | 0 | 112.3 | K200 W201 | K200-D204 VanDerWaalsContact CG-OD2 3.31Å; K200-D204 WeakPolarHBondContact CG-OD2 3.14Å; K200-D204 PolarHBondContact O-N 3.06Å; W201-D204 PolarHBondContact O-N 3.22Å |
| 205 | H | 83.9 | Confident | 74.8 | Confident | 113 Ų | 113 | 120 Ų | 120 | 52% | 0.523 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102 | 20.7 | -178.1 | -69.8 | -92.9 | 0 | 0 | 0 | 114.3 | W201 | W201-H205 AromaticContact CD1-CD2 3.15Å; W201-H205 AromaticContact CD1-NE2 3.28Å; W201-H205 VanDerWaalsContact CD1-NE2 3.28Å; W201-H205 AromaticContact CD2-CD2 3.97Å; W201-H205 AromaticContact CE2-CD2 3.53Å; W201-H205 AromaticContact CE2-CG 3.78Å; W201-H205 AromaticContact CE2-NE2 3.94Å; W201-H205 AromaticContact CG-CD2 3.75Å; W201-H205 HydrophobicContact CZ2-CB 4.25Å; W201-H205 AromaticContact NE1-CD2 2.95Å; W201-H205 PolarHBondContact NE1-CD2 3.08Å; W201-H205 AromaticContact NE1-CE1 3.65Å; W201-H205 AromaticContact NE1-CG 3.57Å; W201-H205 AromaticContact NE1-ND1 3.96Å; W201-H205 AromaticContact NE1-NE2 2.96Å; W201-H205 PolarHBondContact NE1-NE2 3.2Å; W201-H205 WeakPolarHBondContact O-CB 3.32Å; W201-H205 PolarHBondContact O-CD2 2.71Å; W201-H205 VanDerWaalsContact O-CD2 3.25Å; W201-H205 PolarHBondContact O-N 3.35Å |
| 206 | K | 65.6 | Low | 72.4 | Confident | 153 Ų | 153 | 121.5 Ų | 121.5 | 67% | 0.665 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -96.6 | 103.2 | 167.1 | -66.2 | -102.1 | 154.8 | -87.7 | 0 | 107.2 | K202 | K202-K206 HydrophobicContact CG-CG 4.49Å; K202-K206 WeakPolarHBondContact O-CG 3.34Å; K202-K206 PolarHBondContact O-N 3.44Å |
| 207 | L | 59.6 | Low | 69.9 | Low | 157 Ų | 157 | 122.4 Ų | 122.4 | 82% | 0.822 | 64% | 0.642 | S | S | * | * | trans | -42.5 | 157 | 173.9 | -75.5 | 161.8 | 0 | 0 | 0 | 113.9 | N209 | L207-N209 PolarHBondContact O-N 2.93Š| ||
| 208 | P | 58.5 | Low | 67.1 | Low | 129 Ų | 129 | 124.3 Ų | 124.3 | 84% | 0.838 | 67% | 0.673 | S | S | * | * | trans | -65.5 | 104 | -172.7 | 28.7 | -36.1 | 0 | 0 | 0 | 111.5 | ||||
| 209 | N | 48.2 | Very low | 64.3 | Low | 148 Ų | 148 | 126.9 Ų | 126.9 | 79% | 0.791 | 70% | 0.701 | S | S | * | * | trans | -154.6 | 83.7 | 161.5 | -165 | 36.5 | 0 | 0 | 0 | 104.7 | L207 | L207-N209 PolarHBondContact O-N 2.93Š| ||
| 210 | T | 46.9 | Very low | 61.8 | Low | 122 Ų | 122 | 129.8 Ų | 129.8 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | -157.9 | 149.4 | 75.3 | 49 | 0 | 0 | 0 | 0 | 112.2 | G212 | T210-G212 PolarHBondContact O-N 2.99Š| |||
| 211 | K | 52.5 | Low | 59.6 | Low | 215 Ų | 215 | 129.7 Ų | 129.7 | 94% | 0.935 | 73% | 0.73 | S | S | * | * | trans | -42.4 | 125.3 | 168.4 | -178.3 | 83.3 | 171.1 | -172.6 | 0 | 112.6 | ||||
| 212 | G | 50.6 | Low | 56.7 | Low | 63 Ų | 63 | 133.5 Ų | 133.5 | 65% | 0.649 | 75% | 0.751 | S | S | * | * | trans | 159.6 | 86.2 | 157.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | T210 | T210-G212 PolarHBondContact O-N 2.99Š| ||
| 213 | R | 53 | Low | 54.1 | Low | 249 Ų | 249 | 135 Ų | 135 | 94% | 0.94 | 76% | 0.763 | S | S | * | * | trans | 85.5 | 81.2 | 168.4 | -51.6 | 178.7 | -165 | -159.8 | 2.2 | 117.2 | ||||
| 214 | S | 47 | Very low | 51.5 | Low | 117 Ų | 117 | 135.3 Ų | 135.3 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -150.7 | 105.5 | 133 | -34.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 215 | S | 46.7 | Very low | 49.2 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | trans | 35.7 | 110.2 | 141 | 55.9 | 0 | 0 | 0 | 0 | 119.1 | S217 | S215-S217 PolarHBondContact O-N 3.37Š| ||
| 216 | S | 48 | Very low | 47.1 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -17.8 | 116.7 | 143.7 | 50.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 217 | S | 44.8 | Very low | 46.2 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | -151.9 | 89.4 | 147.6 | -69.9 | 0 | 0 | 0 | 0 | 106 | S215 | S215-S217 PolarHBondContact O-N 3.37Š| ||
| 218 | G | 40.8 | Very low | 45.4 | Very low | 78 Ų | 78 | 136 Ų | 136 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -82.5 | 134.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 219 | S | 38.5 | Very low | 44.7 | Very low | 116 Ų | 116 | 137 Ų | 137 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | -175.8 | 99.1 | 141.2 | 53.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 220 | N | 44.1 | Very low | 44.4 | Very low | 159 Ų | 159 | 137.7 Ų | 137.7 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | -83.1 | 149.4 | 145.5 | -96.6 | -41.8 | 0 | 0 | 0 | 107.2 | ||||
| 221 | P | 51 | Low | 44.2 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | -137.2 | 136.5 | 97.6 | 30.8 | -13.2 | 0 | 0 | 0 | 111.6 | |||||
| 222 | H | 35 | Very low | 44.3 | Very low | 159 Ų | 159 | 136.2 Ų | 136.2 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | 91.9 | 121.2 | 91.9 | -168.1 | 73.6 | 0 | 0 | 0 | 114.3 | |||||
| 223 | L | 39.5 | Very low | 44.1 | Very low | 135 Ų | 135 | 139.9 Ų | 139.9 | 71% | 0.707 | 79% | 0.789 | S | S | * | * | trans | -15 | 143.7 | 166.4 | -101.4 | 76.1 | 0 | 0 | 0 | 119.2 | ||||
| 224 | Q | 37.3 | Very low | 43.8 | Very low | 179 Ų | 179 | 135.9 Ų | 135.9 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | -160.9 | 124.9 | 116.2 | -105.7 | 174.4 | 35.6 | 0 | 0 | 112.9 | |||||
| 225 | T | 41.4 | Very low | 44.2 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | trans | -66.8 | 128.5 | 159.3 | -75.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 226 | V | 39.2 | Very low | 44.4 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | -148.1 | 121.3 | 153.9 | -178.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 227 | S | 47.8 | Very low | 44.4 | Very low | 101 Ų | 101 | 143.6 Ų | 143.6 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | trans | -55.3 | 143.7 | 167.9 | -50.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 228 | K | 42.6 | Very low | 44.4 | Very low | 180 Ų | 180 | 144.7 Ų | 144.7 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | trans | -152.2 | 104.3 | 158.9 | -138.3 | 164.1 | -174.9 | 171.9 | 0 | 113 | H230 | K228-H230 PolarHBondContact O-ND1 3.47Å; K228-H230 VanDerWaalsContact O-ND1 3.14Å | ||
| 229 | D | 44.7 | Very low | 44.6 | Very low | 152 Ų | 152 | 148.2 Ų | 148.2 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -36.9 | 132.7 | 159 | -65 | -83.4 | 0 | 0 | 0 | 112.2 | ||||
| 230 | H | 41.8 | Very low | 44.9 | Very low | 161 Ų | 161 | 150 Ų | 150 | 75% | 0.745 | 81% | 0.806 | S | S | * | * | trans | -129.3 | 88.8 | 161.4 | -75.2 | 68.8 | 0 | 0 | 0 | 107.8 | K228 T232 | K228-H230 PolarHBondContact O-ND1 3.47Å; K228-H230 VanDerWaalsContact O-ND1 3.14Å; H230-T232 PolarHBondContact O-N 3.05Å | ||
| 231 | Q | 41.5 | Very low | 44.9 | Very low | 180 Ų | 180 | 149.5 Ų | 149.5 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | trans | -65.8 | 111.5 | 157.4 | -177.6 | 160.9 | 24.1 | 0 | 0 | 107.5 | ||||
| 232 | T | 54.7 | Low | 44.6 | Very low | 126 Ų | 126 | 151.4 Ų | 151.4 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -97.4 | 102.7 | 166.3 | 51.1 | 0 | 0 | 0 | 0 | 108.2 | H230 L234 | H230-T232 PolarHBondContact O-N 3.05Å; T232-L234 PolarHBondContact O-N 3.3Å | ||
| 233 | D | 47.1 | Very low | 45.2 | Very low | 141 Ų | 141 | 150.9 Ų | 150.9 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | trans | -64 | 112.1 | 159.5 | -111.6 | -54.5 | 0 | 0 | 0 | 109 | ||||
| 234 | L | 45.3 | Very low | 45.6 | Very low | 164 Ų | 164 | 152.1 Ų | 152.1 | 86% | 0.859 | 82% | 0.818 | S | S | * | * | trans | -153.1 | 96.4 | 156.2 | -80.7 | -176.1 | 0 | 0 | 0 | 108 | T232 | T232-L234 PolarHBondContact O-N 3.3Š| ||
| 235 | T | 56.4 | Low | 46.2 | Very low | 132 Ų | 132 | 150 Ų | 150 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | trans | -145.4 | 97.6 | 157.5 | -65.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 236 | T | 50.7 | Low | 46.6 | Very low | 120 Ų | 120 | 152.2 Ų | 152.2 | 74% | 0.736 | 82% | 0.821 | S | S | * | * | trans | 7.4 | 129.1 | 130.9 | -54.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 237 | L | 48 | Very low | 47.3 | Very low | 245 Ų | 245 | 154.7 Ų | 154.7 | 100% | 1.283 | 83% | 0.828 | S | S | * | * | trans | 77 | 0 | 165.8 | -68.9 | 171 | 0 | 0 | 0 | 118.1 |
Retrieved 237 of 237 residues in 352.3 ms
(Link to these results)