| 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 | 34.3 | Very low | 42.5 | Very low | 228 Ų | 228 | 149.3 Ų | 149.3 | 100% | 1.123 | 84% | 0.837 | S | S | * | * | 0 | 120 | 0 | -81.5 | 178.3 | -165.6 | 0 | 0 | 108.6 | |||||
| 2 | W | 35.9 | Very low | 43.2 | Very low | 219 Ų | 219 | 147.1 Ų | 147.1 | 83% | 0.83 | 83% | 0.829 | S | S | * | * | trans | 70.4 | 139.6 | 144.9 | -66.3 | 54.4 | 0 | 0 | 0 | 117.9 | ||||
| 3 | K | 39.3 | Very low | 43.5 | Very low | 167 Ų | 167 | 143.1 Ų | 143.1 | 73% | 0.726 | 83% | 0.826 | S | S | * | * | cis | -173.4 | 136.4 | -13.5 | -149.4 | 169.5 | 178.5 | 176.7 | 0 | 107.5 | ||||
| 4 | A | 43.8 | Very low | 44 | Very low | 95 Ų | 95 | 141 Ų | 141 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | trans | 14.7 | 154.5 | 151.5 | 0 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 5 | A | 44.9 | Very low | 44.2 | Very low | 102 Ų | 102 | 141.7 Ų | 141.7 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | trans | 92.6 | 139.6 | 142.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 6 | A | 46.6 | Very low | 44.4 | Very low | 101 Ų | 101 | 142.2 Ų | 142.2 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | cis | -153.4 | 151.7 | 24.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 7 | G | 40.5 | Very low | 44.5 | Very low | 80 Ų | 80 | 137.6 Ų | 137.6 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -89 | 151 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 8 | Q | 48.7 | Very low | 44.1 | Very low | 198 Ų | 198 | 134 Ų | 134 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 123.6 | 170.8 | -105.5 | 157.6 | -37 | 0 | 0 | 109.7 | ||
| 9 | N | 41.3 | Very low | 44 | Very low | 141 Ų | 141 | 134.3 Ų | 134.3 | 75% | 0.754 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 116.2 | 178.7 | -176.1 | -10.7 | 0 | 0 | 0 | 108.3 | ||
| 10 | V | 49.9 | Very low | 44.5 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 74% | 0.739 | 80% | 0.8 | S | S | * | * | trans | -92 | 113.2 | 173.1 | 177.3 | 0 | 0 | 0 | 0 | 107.8 | V12 | V10-V12 HydrophobicContact CG1-CG2 4.2Š| ||
| 11 | K | 42.8 | Very low | 45.2 | Very low | 189 Ų | 189 | 138.5 Ų | 138.5 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | -82.4 | 114.3 | 169.1 | -65.3 | -178.5 | 179.1 | -177.5 | 0 | 108.1 | ||||
| 12 | V | 50.5 | Low | 45.5 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 75% | 0.745 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -98 | 122.1 | 162.3 | 179.4 | 0 | 0 | 0 | 0 | 106.4 | V10 | V10-V12 HydrophobicContact CG1-CG2 4.2Š|
| 13 | A | 47.6 | Very low | 45.7 | Very low | 95 Ų | 95 | 132.3 Ų | 132.3 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 127 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||
| 14 | V | 50.4 | Low | 45.8 | Very low | 114 Ų | 114 | 131.5 Ų | 131.5 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 120.7 | 165.9 | 174.7 | 0 | 0 | 0 | 0 | 105.8 | ||
| 15 | D | 46 | Very low | 46 | Very low | 152 Ų | 152 | 132.4 Ų | 132.4 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | -90.5 | 104.9 | 170.5 | -168.3 | -107.4 | 0 | 0 | 0 | 107.1 | G17 | D15-G17 VanDerWaalsContact C-N 3.29Å; D15-G17 PolarHBondContact O-N 3.33Å | ||
| 16 | D | 48.2 | Very low | 45.9 | Very low | 149 Ų | 149 | 134.6 Ų | 134.6 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -85.5 | 73.9 | 170.7 | -75.2 | -69.8 | 0 | 0 | 0 | 108.5 | G18 | D16-G18 PolarHBondContact O-N 3.27Å; D16-G18 VanDerWaalsContact O-N 3.15Å | ||
| 17 | G | 45.5 | Very low | 45.4 | Very low | 65 Ų | 65 | 140 Ų | 140 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | trans | -74.9 | 92.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | D15 | D15-G17 VanDerWaalsContact C-N 3.29Å; D15-G17 PolarHBondContact O-N 3.33Å | ||
| 18 | G | 37.3 | Very low | 45.3 | Very low | 72 Ų | 72 | 143.7 Ų | 143.7 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | trans | -59.6 | 134.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D16 D20 | D16-G18 PolarHBondContact O-N 3.27Å; D16-G18 VanDerWaalsContact O-N 3.15Å; G18-D20 PolarHBondContact O-N 2.79Å | ||
| 19 | D | 43 | Very low | 45.1 | Very low | 139 Ų | 139 | 141 Ų | 141 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | trans | -71.6 | 101.1 | 174.7 | -159.5 | 9.6 | 0 | 0 | 0 | 109 | W21 | D19-W21 PolarHBondContact O-N 2.85Å; D19-W21 VanDerWaalsContact OD1-CD1 3.25Å; D19-W21 PolarHBondContact OD1-NE1 3.13Å | ||
| 20 | D | 54.2 | Low | 44.7 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | trans | -86.5 | 81.7 | 179.9 | -170.5 | 5.4 | 0 | 0 | 0 | 109.5 | G18 | G18-D20 PolarHBondContact O-N 2.79Š| ||
| 21 | W | 58.1 | Low | 44.8 | Very low | 208 Ų | 208 | 139 Ų | 139 | 79% | 0.788 | 78% | 0.783 | S | S | * | * | trans | -91.3 | 130.8 | 163.8 | -79.8 | 76.4 | 0 | 0 | 0 | 109.5 | D19 | D19-W21 PolarHBondContact O-N 2.85Å; D19-W21 VanDerWaalsContact OD1-CD1 3.25Å; D19-W21 PolarHBondContact OD1-NE1 3.13Å | ||
| 22 | E | 41.1 | Very low | 44.4 | Very low | 173 Ų | 173 | 135.5 Ų | 135.5 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | trans | 87.4 | 93.7 | 169.7 | -56.1 | -169.2 | 163.5 | 0 | 0 | 117.8 | ||||
| 23 | T | 40.6 | Very low | 43.5 | Very low | 143 Ų | 143 | 135.2 Ų | 135.2 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | -162.6 | 99.6 | 129.9 | -64.5 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 24 | D | 41.5 | Very low | 42.9 | Very low | 151 Ų | 151 | 135.9 Ų | 135.9 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | trans | -61.3 | 158.6 | 161.6 | -86 | -33 | 0 | 0 | 0 | 111.4 | ||||
| 25 | P | 48.1 | Very low | 42.2 | Very low | 113 Ų | 113 | 135.2 Ų | 135.2 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | -160.4 | 165.2 | 69.1 | 39 | -15 | 0 | 0 | 0 | 119.5 | |||||
| 26 | D | 41.7 | Very low | 41.8 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | 42.1 | 109 | 152.2 | -73.9 | -22.5 | 0 | 0 | 0 | 120.4 | ||||
| 27 | F | 36.9 | Very low | 41.1 | Very low | 215 Ų | 215 | 133 Ų | 133 | 94% | 0.943 | 78% | 0.778 | S | S | * | * | trans | -119.4 | 105.3 | 149.1 | -144.5 | -94.2 | 0 | 0 | 0 | 110.7 | ||||
| 28 | E | 37.8 | Very low | 40.4 | Very low | 157 Ų | 157 | 138.3 Ų | 138.3 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -61 | 141 | -179.8 | -63.5 | -163.7 | 158 | 0 | 0 | 113.2 | ||||
| 29 | V | 43.9 | Very low | 40 | Very low | 141 Ų | 141 | 145.8 Ų | 145.8 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | -72.4 | 123.2 | 161.5 | 167.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 30 | S | 33.6 | Very low | 39.7 | Very low | 103 Ų | 103 | 144.7 Ų | 144.7 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | -129.4 | 133.8 | 162.7 | -88.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 31 | P | 52.2 | Low | 38.8 | Very low | 118 Ų | 118 | 143.4 Ų | 143.4 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | trans | -100.5 | 129.8 | -172.4 | 36.4 | -28.6 | 0 | 0 | 0 | 111.7 | ||||
| 32 | S | 33.5 | Very low | 37.8 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -166.6 | 119.6 | 155.3 | 51 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 33 | S | 31.6 | Very low | 37.6 | Very low | 117 Ų | 117 | 139 Ų | 139 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 39.7 | 110.5 | 133.7 | -175 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 34 | S | 34.9 | Very low | 37.2 | Very low | 108 Ų | 108 | 140 Ų | 140 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | 173.3 | 123.2 | 100.7 | -174.9 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 35 | C | 37 | Very low | 36.8 | Very low | 101 Ų | 101 | 138 Ų | 138 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | trans | -72.4 | 174.9 | 169.8 | 48.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 36 | L | 37.3 | Very low | 36.4 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | 93.3 | 136 | 170.2 | -53.8 | 165.7 | 0 | 0 | 0 | 114.2 | ||||
| 37 | S | 32.7 | Very low | 36.1 | Very low | 87 Ų | 87 | 140.7 Ų | 140.7 | 61% | 0.608 | 79% | 0.786 | S | S | * | * | cis | -179.5 | 139.6 | 2.7 | 138 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 38 | H | 30.3 | Very low | 36 | Very low | 177 Ų | 177 | 139.3 Ų | 139.3 | 82% | 0.819 | 78% | 0.782 | S | S | * | * | trans | 60.2 | 132.3 | 149.4 | -70.3 | 95.5 | 0 | 0 | 0 | 122.8 | ||||
| 39 | R | 31 | Very low | 36 | Very low | 230 Ų | 230 | 138.1 Ų | 138.1 | 87% | 0.868 | 78% | 0.78 | S | S | * | * | trans | 113.2 | 95.6 | 130.6 | -142.6 | 106.6 | 167.3 | -117.5 | -1.2 | 115.3 | ||||
| 40 | S | 35.1 | Very low | 35.6 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -55.5 | 133.4 | 160.4 | -29 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 41 | V | 36.9 | Very low | 35.7 | Very low | 124 Ų | 124 | 145.1 Ų | 145.1 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | -161.1 | 117.9 | 139.2 | -114.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 42 | D | 35.6 | Very low | 35.4 | Very low | 141 Ų | 141 | 147.5 Ų | 147.5 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | 49.7 | 120.7 | 141.3 | -52.7 | -24.8 | 0 | 0 | 0 | 122 | ||||
| 43 | V | 37.9 | Very low | 36.2 | Very low | 146 Ų | 146 | 150.8 Ų | 150.8 | 89% | 0.885 | 79% | 0.788 | S | S | * | * | -165 | 136.5 | 102.7 | 156 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 44 | M | 32.4 | Very low | 37.4 | Very low | 165 Ų | 165 | 150.9 Ų | 150.9 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | -79.8 | 157.5 | -165.5 | -51.6 | -163.9 | -58.2 | 0 | 0 | 115.7 | ||||
| 45 | S | 31.8 | Very low | 38.9 | Very low | 108 Ų | 108 | 149.4 Ų | 149.4 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | 166.2 | 90.1 | 117.1 | -174.2 | 0 | 0 | 0 | 0 | 111 | |||||
| 46 | E | 39.5 | Very low | 39.9 | Very low | 154 Ų | 154 | 150.1 Ų | 150.1 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | 81.7 | 89.4 | 106.8 | -63.3 | -144 | 162.9 | 0 | 0 | 116.6 | |||||
| 47 | H | 35.8 | Very low | 41 | Very low | 164 Ų | 164 | 148.6 Ų | 148.6 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | 175.9 | 85.3 | 121.4 | -110.3 | -106.7 | 0 | 0 | 0 | 110.8 | |||||
| 48 | H | 36.2 | Very low | 42.8 | Very low | 186 Ų | 186 | 149.5 Ų | 149.5 | 86% | 0.861 | 75% | 0.746 | S | S | * | * | trans | -122.2 | 104.9 | 159.1 | -166.8 | 78.7 | 0 | 0 | 0 | 106.6 | ||||
| 49 | L | 36.5 | Very low | 44.7 | Very low | 132 Ų | 132 | 147.1 Ų | 147.1 | 69% | 0.691 | 73% | 0.734 | S | S | * | * | trans | -122.5 | 109.3 | 177.7 | -85.8 | 163.8 | 0 | 0 | 0 | 109.8 | ||||
| 50 | L | 36.3 | Very low | 46.7 | Very low | 133 Ų | 133 | 140.9 Ų | 140.9 | 70% | 0.696 | 72% | 0.717 | S | S | * | * | trans | 30.6 | 113.3 | 141.3 | -95.9 | 81.2 | 0 | 0 | 0 | 118 | Q52 | L50-Q52 VanDerWaalsContact C-N 3.33Å; L50-Q52 PolarHBondContact O-N 3.26Å | ||
| 51 | W | 35.8 | Very low | 48.7 | Very low | 259 Ų | 259 | 137.5 Ų | 137.5 | 98% | 0.981 | 69% | 0.693 | S | S | * | * | trans | -59.5 | 98.7 | 143.5 | -73 | 75.7 | 0 | 0 | 0 | 108.2 | Q53 | W51-Q53 PolarHBondContact O-N 3.16Š| ||
| 52 | Q | 45.4 | Very low | 50.9 | Low | 168 Ų | 168 | 138.1 Ų | 138.1 | 79% | 0.785 | 69% | 0.685 | S | S | * | * | trans | -63.3 | 117.7 | 167.9 | -80.5 | -178.1 | 5.2 | 0 | 0 | 108.2 | L50 V54 | L50-Q52 VanDerWaalsContact C-N 3.33Å; L50-Q52 PolarHBondContact O-N 3.26Å; Q52-V54 PolarHBondContact O-N 3.05Å | ||
| 53 | Q | 50.7 | Low | 53.1 | Low | 185 Ų | 185 | 134.2 Ų | 134.2 | 86% | 0.864 | 67% | 0.667 | S | S | * | * | trans | -45.4 | 108 | 157.5 | -169.6 | 89.7 | 4.1 | 0 | 0 | 107.9 | W51 D55 | W51-Q53 PolarHBondContact O-N 3.16Å; Q53-D55 PolarHBondContact O-N 3.18Å | ||
| 54 | V | 55.8 | Low | 55.2 | Low | 120 Ų | 120 | 133.8 Ų | 133.8 | 73% | 0.727 | 65% | 0.653 | S | S | * | * | trans | -64.9 | 105.8 | 174.3 | 175.3 | 0 | 0 | 0 | 0 | 106.9 | Q52 L56 | Q52-V54 PolarHBondContact O-N 3.05Å; V54-L56 VanDerWaalsContact C-N 3.29Å; V54-L56 PolarHBondContact O-N 2.78Å | ||
| 55 | D | 66.7 | Low | 57.5 | Low | 77 Ų | 77 | 133.4 Ų | 133.4 | 41% | 0.412 | 65% | 0.647 | S | S | . | * | trans | -70 | 89.6 | 174.8 | -176 | 3.3 | 0 | 0 | 0 | 108.5 | Q53 H57 Q58 F59 | Q53-D55 PolarHBondContact O-N 3.18Å; D55-H57 PolarHBondContact O-N 3.21Å; D55-H57 WeakPolarHBondContact OD1-CB 3.41Å; D55-H57 PolarHBondContact OD1-N 3.01Å; D55-Q58 HydrophobicContact CB-CB 4.25Å; D55-Q58 WeakPolarHBondContact O-CB 3.49Å; D55-Q58 PolarHBondContact O-N 3.17Å; D55-Q58 WeakPolarHBondContact OD2-CG 3.47Å; D55-Q58 PolarHBondContact OD2-NE2 3.28Å; D55-F59 PolarHBondContact O-N 3.13Å | ||
| 56 | L | 58.5 | Low | 59.9 | Low | 115 Ų | 115 | 137.2 Ų | 137.2 | 60% | 0.602 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -51.6 | -30.4 | -179.8 | -176.4 | 62.5 | 0 | 0 | 0 | 111.7 | V54 F59 I60 | V54-L56 VanDerWaalsContact C-N 3.29Å; V54-L56 PolarHBondContact O-N 2.78Å; L56-F59 PolarHBondContact O-N 2.93Å; L56-I60 HydrophobicContact CD1-CD1 4.42Å; L56-I60 HydrophobicContact CG-CD1 3.98Å; L56-I60 VanDerWaalsContact O-CG1 3.29Å; L56-I60 WeakPolarHBondContact O-CG1 3.45Å; L56-I60 PolarHBondContact O-N 2.74Å |
| 57 | H | 60.9 | Low | 61.5 | Low | 135 Ų | 135 | 134.6 Ų | 134.6 | 63% | 0.625 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -70.4 | -35.9 | 178.5 | -165.4 | -91.8 | 0 | 0 | 0 | 112.7 | D55 S61 | D55-H57 PolarHBondContact O-N 3.21Å; D55-H57 WeakPolarHBondContact OD1-CB 3.41Å; D55-H57 PolarHBondContact OD1-N 3.01Å; H57-S61 VanDerWaalsContact O-CB 3.28Å; H57-S61 WeakPolarHBondContact O-CB 3.44Å; H57-S61 PolarHBondContact O-N 2.9Å; H57-S61 PolarHBondContact O-OG 2.74Å |
| 58 | Q | 69.1 | Low | 63.6 | Low | 105 Ų | 105 | 130.2 Ų | 130.2 | 49% | 0.491 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -68.6 | -35 | 171.4 | -90.2 | -177 | 61 | 0 | 0 | 112.3 | D55 K62 | D55-Q58 HydrophobicContact CB-CB 4.25Å; D55-Q58 WeakPolarHBondContact O-CB 3.49Å; D55-Q58 PolarHBondContact O-N 3.17Å; D55-Q58 WeakPolarHBondContact OD2-CG 3.47Å; D55-Q58 PolarHBondContact OD2-NE2 3.28Å; Q58-K62 WeakPolarHBondContact O-CB 3.46Å; Q58-K62 VanDerWaalsContact O-CG 3.25Å; Q58-K62 WeakPolarHBondContact O-CG 3.29Å; Q58-K62 PolarHBondContact O-N 3.25Å |
| 59 | F | 71.6 | Confident | 65.7 | Low | 128 Ų | 128 | 127.1 Ų | 127.1 | 56% | 0.561 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -67.9 | -48.5 | 176.7 | -168.4 | -98 | 0 | 0 | 0 | 111.4 | D55 L56 S61 K62 V63 | D55-F59 PolarHBondContact O-N 3.13Å; L56-F59 PolarHBondContact O-N 2.93Å; F59-S61 VanDerWaalsContact C-N 3.29Å; F59-S61 PolarHBondContact O-N 2.79Å; F59-K62 PolarHBondContact O-N 2.8Å; F59-K62 VanDerWaalsContact O-N 3.1Å; F59-V63 HydrophobicContact CD1-CG2 3.96Å; F59-V63 HydrophobicContact CE1-CG2 3.67Å; F59-V63 HydrophobicContact CZ-CG2 4.06Å; F59-V63 WeakPolarHBondContact O-CG2 3.49Å; F59-V63 PolarHBondContact O-N 2.79Å |
| 60 | I | 73.3 | Confident | 67.1 | Low | 99 Ų | 99 | 125.3 Ų | 125.3 | 51% | 0.508 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -58.4 | -42.5 | 175.2 | -66.9 | 166.7 | 0 | 0 | 0 | 110.6 | L56 K62 V63 F64 | L56-I60 HydrophobicContact CD1-CD1 4.42Å; L56-I60 HydrophobicContact CG-CD1 3.98Å; L56-I60 VanDerWaalsContact O-CG1 3.29Å; L56-I60 WeakPolarHBondContact O-CG1 3.45Å; L56-I60 PolarHBondContact O-N 2.74Å; I60-K62 PolarHBondContact O-N 3.06Å; I60-V63 PolarHBondContact O-N 3.03Å; I60-F64 VanDerWaalsContact O-CB 3.27Å; I60-F64 WeakPolarHBondContact O-CB 3.25Å; I60-F64 PolarHBondContact O-N 3.17Å |
| 61 | S | 75.9 | Confident | 68.8 | Low | 44 Ų | 44 | 126.5 Ų | 126.5 | 31% | 0.308 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.2 | -37.8 | 176.7 | -66.1 | 0 | 0 | 0 | 0 | 113 | H57 F59 K65 | H57-S61 VanDerWaalsContact O-CB 3.28Å; H57-S61 WeakPolarHBondContact O-CB 3.44Å; H57-S61 PolarHBondContact O-N 2.9Å; H57-S61 PolarHBondContact O-OG 2.74Å; F59-S61 VanDerWaalsContact C-N 3.29Å; F59-S61 PolarHBondContact O-N 2.79Å; S61-K65 WeakPolarHBondContact O-CB 3.43Å; S61-K65 VanDerWaalsContact O-CG 3.27Å; S61-K65 WeakPolarHBondContact O-CG 3.47Å; S61-K65 PolarHBondContact O-N 3.07Å; S61-K65 VanDerWaalsContact O-N 3.09Å |
| 62 | K | 82.6 | Confident | 70.5 | Confident | 136 Ų | 136 | 119.2 Ų | 119.2 | 59% | 0.591 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -69.9 | -43.5 | 176.5 | -77.4 | 171.4 | -175.9 | 171.7 | 0 | 111.6 | Q58 F59 I60 K65 R66 | Q58-K62 WeakPolarHBondContact O-CB 3.46Å; Q58-K62 VanDerWaalsContact O-CG 3.25Å; Q58-K62 WeakPolarHBondContact O-CG 3.29Å; Q58-K62 PolarHBondContact O-N 3.25Å; F59-K62 PolarHBondContact O-N 2.8Å; F59-K62 VanDerWaalsContact O-N 3.1Å; I60-K62 PolarHBondContact O-N 3.06Å; K62-K65 PolarHBondContact O-N 3.35Å; K62-R66 WeakPolarHBondContact O-CB 3.49Å; K62-R66 PolarHBondContact O-N 3.08Å |
| 63 | V | 83.1 | Confident | 71.5 | Confident | 60 Ų | 60 | 116.9 Ų | 116.9 | 36% | 0.364 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.2 | -43.5 | 176.4 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | F59 I60 K65 R66 N67 | F59-V63 HydrophobicContact CD1-CG2 3.96Å; F59-V63 HydrophobicContact CE1-CG2 3.67Å; F59-V63 HydrophobicContact CZ-CG2 4.06Å; F59-V63 WeakPolarHBondContact O-CG2 3.49Å; F59-V63 PolarHBondContact O-N 2.79Å; I60-V63 PolarHBondContact O-N 3.03Å; V63-K65 PolarHBondContact O-N 2.73Å; V63-R66 PolarHBondContact O-N 2.94Å; V63-N67 WeakPolarHBondContact O-CB 3.4Å; V63-N67 PolarHBondContact O-N 2.95Å |
| 64 | F | 82.3 | Confident | 71.9 | Confident | 137 Ų | 137 | 118.2 Ų | 118.2 | 60% | 0.601 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.7 | -41.2 | 177.5 | -173.7 | -99 | 0 | 0 | 0 | 112.7 | I60 N68 | I60-F64 VanDerWaalsContact O-CB 3.27Å; I60-F64 WeakPolarHBondContact O-CB 3.25Å; I60-F64 PolarHBondContact O-N 3.17Å; F64-N68 WeakPolarHBondContact CD1-ND2 3.45Å; F64-N68 WeakPolarHBondContact CE1-ND2 3.37Å; F64-N68 VanDerWaalsContact CZ-ND2 3.28Å; F64-N68 WeakPolarHBondContact CZ-ND2 3.28Å; F64-N68 PolarHBondContact O-N 3.22Å; F64-N68 PolarHBondContact O-ND2 2.7Å |
| 65 | K | 80.8 | Confident | 72 | Confident | 157 Ų | 157 | 116.8 Ų | 116.8 | 68% | 0.683 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.1 | -41.6 | 174.5 | -75.1 | 175 | -176.7 | -179.6 | 0 | 111.8 | S61 K62 V63 N68 F69 | S61-K65 WeakPolarHBondContact O-CB 3.43Å; S61-K65 VanDerWaalsContact O-CG 3.27Å; S61-K65 WeakPolarHBondContact O-CG 3.47Å; S61-K65 PolarHBondContact O-N 3.07Å; S61-K65 VanDerWaalsContact O-N 3.09Å; K62-K65 PolarHBondContact O-N 3.35Å; V63-K65 PolarHBondContact O-N 2.73Å; K65-N68 PolarHBondContact O-N 3.24Å; K65-F69 WeakPolarHBondContact O-CB 3.39Å; K65-F69 PolarHBondContact O-N 3.15Å |
| 66 | R | 81.4 | Confident | 71.7 | Confident | 188 Ų | 188 | 122.7 Ų | 122.7 | 71% | 0.709 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.7 | -41.2 | 177.6 | -176.2 | 168.3 | 160.1 | 123.8 | -6.6 | 112.1 | K62 V63 F69 L70 | K62-R66 WeakPolarHBondContact O-CB 3.49Å; K62-R66 PolarHBondContact O-N 3.08Å; V63-R66 PolarHBondContact O-N 2.94Å; R66-F69 PolarHBondContact O-N 3.04Å; R66-L70 HydrophobicContact CG-CD1 4.27Å; R66-L70 WeakPolarHBondContact O-CD1 3.43Å; R66-L70 PolarHBondContact O-N 3.32Å |
| 67 | N | 73.7 | Confident | 71.3 | Confident | 99 Ų | 99 | 120.4 Ų | 120.4 | 53% | 0.529 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.4 | -40.1 | 175.7 | -90.4 | -30.9 | 0 | 0 | 0 | 112.7 | V63 L70 K71 | V63-N67 WeakPolarHBondContact O-CB 3.4Å; V63-N67 PolarHBondContact O-N 2.95Å; N67-L70 PolarHBondContact O-N 3.18Å; N67-K71 WeakPolarHBondContact O-CB 3.41Å; N67-K71 PolarHBondContact O-N 3.5Å |
| 68 | N | 78.8 | Confident | 70.6 | Confident | 71 Ų | 71 | 119.5 Ų | 119.5 | 38% | 0.38 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.5 | -40.1 | 174 | -82.5 | -61 | 0 | 0 | 0 | 112.2 | F64 K65 L70 K71 E72 | F64-N68 WeakPolarHBondContact CD1-ND2 3.45Å; F64-N68 WeakPolarHBondContact CE1-ND2 3.37Å; F64-N68 VanDerWaalsContact CZ-ND2 3.28Å; F64-N68 WeakPolarHBondContact CZ-ND2 3.28Å; F64-N68 PolarHBondContact O-N 3.22Å; F64-N68 PolarHBondContact O-ND2 2.7Å; K65-N68 PolarHBondContact O-N 3.24Å; N68-L70 PolarHBondContact O-N 3.1Å; N68-K71 PolarHBondContact O-N 3.48Å; N68-E72 WeakPolarHBondContact O-CB 3.49Å; N68-E72 PolarHBondContact O-N 3.27Å |
| 69 | F | 79.6 | Confident | 69.7 | Low | 121 Ų | 121 | 123.5 Ų | 123.5 | 53% | 0.531 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.8 | -42.4 | 176 | -179.1 | -99.3 | 0 | 0 | 0 | 112.6 | K65 R66 K71 E72 Q73 | K65-F69 WeakPolarHBondContact O-CB 3.39Å; K65-F69 PolarHBondContact O-N 3.15Å; R66-F69 PolarHBondContact O-N 3.04Å; F69-K71 VanDerWaalsContact C-N 3.34Å; F69-K71 PolarHBondContact O-N 2.94Å; F69-E72 PolarHBondContact O-N 2.89Å; F69-Q73 HydrophobicContact CE1-CG 4.07Å; F69-Q73 VanDerWaalsContact CE1-NE2 3.32Å; F69-Q73 HydrophobicContact CZ-CG 4.21Å; F69-Q73 PolarHBondContact O-N 2.86Å |
| 70 | L | 67.8 | Low | 68.2 | Low | 95 Ų | 95 | 124.5 Ų | 124.5 | 50% | 0.497 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.2 | -40.7 | 174.4 | -104.4 | 81.2 | 0 | 0 | 0 | 112 | R66 N67 N68 E72 Q73 R74 | R66-L70 HydrophobicContact CG-CD1 4.27Å; R66-L70 WeakPolarHBondContact O-CD1 3.43Å; R66-L70 PolarHBondContact O-N 3.32Å; N67-L70 PolarHBondContact O-N 3.18Å; N68-L70 PolarHBondContact O-N 3.1Å; L70-E72 VanDerWaalsContact C-N 3.3Å; L70-E72 PolarHBondContact O-N 3.2Å; L70-Q73 PolarHBondContact O-N 3.23Å; L70-R74 WeakPolarHBondContact O-CB 3.5Å; L70-R74 PolarHBondContact O-N 2.89Å |
| 71 | K | 71 | Confident | 66.6 | Low | 157 Ų | 157 | 126.7 Ų | 126.7 | 68% | 0.683 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65 | -36.9 | 178.2 | -158.8 | 172 | -175.4 | 177.1 | 0 | 111.4 | N67 N68 F69 R74 S75 | N67-K71 WeakPolarHBondContact O-CB 3.41Å; N67-K71 PolarHBondContact O-N 3.5Å; N68-K71 PolarHBondContact O-N 3.48Å; F69-K71 VanDerWaalsContact C-N 3.34Å; F69-K71 PolarHBondContact O-N 2.94Å; K71-R74 PolarHBondContact O-N 3.43Å; K71-S75 PolarHBondContact O-N 2.89Å; K71-S75 VanDerWaalsContact O-N 3.1Å |
| 72 | E | 70.7 | Confident | 64.4 | Low | 107 Ų | 107 | 134.3 Ų | 134.3 | 50% | 0.5 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -73.4 | -38.3 | 176.9 | -159.5 | 165.5 | -173.7 | 0 | 0 | 112.1 | N68 F69 L70 R74 S75 R76 | N68-E72 WeakPolarHBondContact O-CB 3.49Å; N68-E72 PolarHBondContact O-N 3.27Å; F69-E72 PolarHBondContact O-N 2.89Å; L70-E72 VanDerWaalsContact C-N 3.3Å; L70-E72 PolarHBondContact O-N 3.2Å; E72-R74 PolarHBondContact O-N 2.79Å; E72-S75 WeakPolarHBondContact CA-OG 3.29Å; E72-S75 PolarHBondContact O-N 2.79Å; E72-S75 PolarHBondContact O-OG 2.97Å; E72-R76 PolarHBondContact O-N 3.14Å |
| 73 | Q | 66.4 | Low | 62.1 | Low | 118 Ų | 118 | 133.5 Ų | 133.5 | 55% | 0.551 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -60.7 | -42.5 | 169.5 | -83.7 | -160.5 | -6.7 | 0 | 0 | 112.4 | F69 L70 S75 R76 S77 | F69-Q73 HydrophobicContact CE1-CG 4.07Å; F69-Q73 VanDerWaalsContact CE1-NE2 3.32Å; F69-Q73 HydrophobicContact CZ-CG 4.21Å; F69-Q73 PolarHBondContact O-N 2.86Å; L70-Q73 PolarHBondContact O-N 3.23Å; Q73-S75 PolarHBondContact O-N 2.89Å; Q73-R76 PolarHBondContact O-N 2.83Å; Q73-R76 VanDerWaalsContact O-N 3.15Å; Q73-S77 PolarHBondContact O-N 3.3Å; Q73-S77 VanDerWaalsContact O-N 3.13Å |
| 74 | R | 59.7 | Low | 59.8 | Low | 214 Ų | 214 | 137.9 Ų | 137.9 | 81% | 0.808 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -68.9 | -20.2 | 176.9 | -157.8 | 174.4 | -174 | -163.5 | 2.6 | 113.1 | L70 K71 E72 S77 | L70-R74 WeakPolarHBondContact O-CB 3.5Å; L70-R74 PolarHBondContact O-N 2.89Å; K71-R74 PolarHBondContact O-N 3.43Å; E72-R74 PolarHBondContact O-N 2.79Å; R74-S77 PolarHBondContact O-OG 3.32Å |
| 75 | S | 57.7 | Low | 57.5 | Low | 90 Ų | 90 | 138.6 Ų | 138.6 | 63% | 0.629 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -86.6 | -20.3 | 172.9 | 77.7 | 0 | 0 | 0 | 0 | 113.7 | K71 E72 Q73 | K71-S75 PolarHBondContact O-N 2.89Å; K71-S75 VanDerWaalsContact O-N 3.1Å; E72-S75 WeakPolarHBondContact CA-OG 3.29Å; E72-S75 PolarHBondContact O-N 2.79Å; E72-S75 PolarHBondContact O-OG 2.97Å; Q73-S75 PolarHBondContact O-N 2.89Å |
| 76 | R | 61.3 | Low | 55.4 | Low | 201 Ų | 201 | 137.8 Ų | 137.8 | 76% | 0.758 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -97.5 | -7.8 | 179.4 | -87 | -179.2 | 168.1 | 177.3 | -0.9 | 114.2 | E72 Q73 | E72-R76 PolarHBondContact O-N 3.14Å; Q73-R76 PolarHBondContact O-N 2.83Å; Q73-R76 VanDerWaalsContact O-N 3.15Å |
| 77 | S | 49 | Very low | 53 | Low | 66 Ų | 66 | 136.8 Ų | 136.8 | 46% | 0.462 | 67% | 0.674 | S | S | . | * | S | Bend | trans | -74.1 | 133.2 | 170.8 | 53.6 | 0 | 0 | 0 | 0 | 110.6 | Q73 R74 K79 | Q73-S77 PolarHBondContact O-N 3.3Å; Q73-S77 VanDerWaalsContact O-N 3.13Å; R74-S77 PolarHBondContact O-OG 3.32Å; S77-K79 PolarHBondContact O-N 3.05Å; S77-K79 VanDerWaalsContact O-N 3.17Å |
| 78 | P | 47.4 | Very low | 51.1 | Low | 116 Ų | 116 | 140.3 Ų | 140.3 | 75% | 0.753 | 69% | 0.692 | S | S | * | * | trans | -62.3 | 119.3 | 175.8 | -20 | 31.4 | 0 | 0 | 0 | 110.2 | Q80 | P78-Q80 PolarHBondContact O-N 2.85Š| ||
| 79 | K | 50.3 | Low | 48.9 | Very low | 189 Ų | 189 | 146.2 Ų | 146.2 | 82% | 0.822 | 72% | 0.717 | S | S | * | * | trans | -66.7 | 99 | 169.1 | -68.6 | 179.2 | 179.6 | 175.1 | 0 | 108.4 | S77 N81 | S77-K79 PolarHBondContact O-N 3.05Å; S77-K79 VanDerWaalsContact O-N 3.17Å; K79-N81 PolarHBondContact O-N 3.03Å | ||
| 80 | Q | 40 | Very low | 46.7 | Very low | 150 Ų | 150 | 148.2 Ų | 148.2 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | trans | -75.8 | 101.4 | 169.3 | -69.4 | -152.2 | -13.4 | 0 | 0 | 109.3 | P78 Y82 | P78-Q80 PolarHBondContact O-N 2.85Å; Q80-Y82 HydrophobicContact CB-CE2 4.46Å | ||
| 81 | N | 38.9 | Very low | 45.2 | Very low | 145 Ų | 145 | 150.4 Ų | 150.4 | 78% | 0.775 | 75% | 0.745 | S | S | * | * | trans | -82.2 | 112.3 | 164.1 | -73.8 | -40.1 | 0 | 0 | 0 | 108 | K79 | K79-N81 PolarHBondContact O-N 3.03Š| ||
| 82 | Y | 31.2 | Very low | 43.5 | Very low | 204 Ų | 204 | 149.8 Ų | 149.8 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | trans | -93.1 | 95.3 | 165.3 | -89 | -88 | 0 | 0 | 0 | 109.2 | Q80 | Q80-Y82 HydrophobicContact CB-CE2 4.46Š| ||
| 83 | T | 33.1 | Very low | 41.8 | Very low | 118 Ų | 118 | 155 Ų | 155 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | trans | -151.7 | 117.6 | 150.4 | 37.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 84 | N | 33.9 | Very low | 40.4 | Very low | 152 Ų | 152 | 156.5 Ų | 156.5 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | trans | 71.5 | 121.6 | 151.1 | -55.7 | -25.6 | 0 | 0 | 0 | 121.8 | ||||
| 85 | V | 34.8 | Very low | 39.4 | Very low | 153 Ų | 153 | 151.5 Ų | 151.5 | 93% | 0.927 | 78% | 0.777 | S | S | * | * | trans | -136.2 | 112.4 | 143.9 | -179.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 86 | L | 36.4 | Very low | 38.4 | Very low | 139 Ų | 139 | 151.2 Ų | 151.2 | 73% | 0.728 | 78% | 0.779 | S | S | * | * | trans | -90.6 | 155.5 | 163.1 | -88.7 | 165.4 | 0 | 0 | 0 | 110 | ||||
| 87 | H | 32.5 | Very low | 37.3 | Very low | 167 Ų | 167 | 146.6 Ų | 146.6 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | 105.6 | 101.6 | 154.3 | -50.8 | 103.3 | 0 | 0 | 0 | 117.5 | ||||
| 88 | L | 32.9 | Very low | 36.9 | Very low | 174 Ų | 174 | 148.5 Ų | 148.5 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | -156.4 | 93 | 125 | -144.2 | 81.6 | 0 | 0 | 0 | 110.2 | |||||
| 89 | E | 32.4 | Very low | 36.5 | Very low | 195 Ų | 195 | 149.2 Ų | 149.2 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | trans | -171.9 | 95.3 | 140.8 | -111.9 | 174.4 | 171.8 | 0 | 0 | 108.9 | ||||
| 90 | N | 34.5 | Very low | 35.6 | Very low | 162 Ų | 162 | 143 Ų | 143 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | trans | -89.8 | 114.8 | 156.4 | -109.5 | -10.3 | 0 | 0 | 0 | 105.4 | ||||
| 91 | D | 34.3 | Very low | 35.1 | Very low | 142 Ų | 142 | 143.8 Ų | 143.8 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | trans | -166 | 128.3 | 132.4 | -104.9 | -17.7 | 0 | 0 | 0 | 113.3 | ||||
| 92 | Q | 35.8 | Very low | 35.1 | Very low | 144 Ų | 144 | 143 Ų | 143 | 67% | 0.673 | 79% | 0.788 | S | S | * | * | trans | 67.7 | 88.3 | 153.8 | -57.7 | 174.7 | 26.6 | 0 | 0 | 118.4 | ||||
| 93 | R | 35.3 | Very low | 35.4 | Very low | 216 Ų | 216 | 144.5 Ų | 144.5 | 82% | 0.815 | 79% | 0.794 | S | S | * | * | 169.7 | 142.5 | 106.2 | -92.5 | 171.1 | 177.9 | 100.4 | -2.2 | 111.2 | |||||
| 94 | N | 37.5 | Very low | 35.8 | Very low | 149 Ų | 149 | 147.4 Ų | 147.4 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | 82 | 63.2 | 160.3 | -59.8 | -12.9 | 0 | 0 | 0 | 117.3 | A96 | N94-A96 PolarHBondContact O-N 3.25Š| ||
| 95 | A | 38.2 | Very low | 36.1 | Very low | 110 Ų | 110 | 144.9 Ų | 144.9 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | -63.9 | 106.3 | 133.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 96 | A | 37.8 | Very low | 36.9 | Very low | 83 Ų | 83 | 147.1 Ų | 147.1 | 69% | 0.686 | 79% | 0.791 | S | S | * | * | trans | -159.1 | 106.1 | 155.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | N94 | N94-A96 PolarHBondContact O-N 3.25Š| ||
| 97 | S | 36.3 | Very low | 37.2 | Very low | 104 Ų | 104 | 148.1 Ų | 148.1 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | 44.8 | 111.4 | 139.9 | -53.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 98 | A | 41.7 | Very low | 38.1 | Very low | 107 Ų | 107 | 144.9 Ų | 144.9 | 88% | 0.884 | 79% | 0.793 | S | S | * | * | 49.3 | 65 | 71.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 99 | V | 38.7 | Very low | 38.6 | Very low | 130 Ų | 130 | 146.3 Ų | 146.3 | 79% | 0.788 | 79% | 0.791 | S | S | * | * | trans | -153 | 117.2 | 156.8 | -174 | 0 | 0 | 0 | 0 | 103.7 | ||||
| 100 | G | 31.5 | Very low | 38.7 | Very low | 58 Ų | 58 | 144.4 Ų | 144.4 | 60% | 0.598 | 78% | 0.782 | S | S | * | * | 95.6 | 122.9 | 64 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 101 | H | 30.3 | Very low | 39.4 | Very low | 167 Ų | 167 | 142.8 Ų | 142.8 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | 80.8 | 118.8 | 153.2 | -70 | -79.8 | 0 | 0 | 0 | 121.3 | ||||
| 102 | D | 38 | Very low | 40.2 | Very low | 130 Ų | 130 | 141.6 Ų | 141.6 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | 47.7 | 108.2 | 121.6 | -52.3 | -23.2 | 0 | 0 | 0 | 117.5 | |||||
| 103 | Y | 36.6 | Very low | 41 | Very low | 234 Ų | 234 | 143.3 Ų | 143.3 | 92% | 0.918 | 79% | 0.793 | S | S | * | * | trans | -141.4 | 105.2 | 136.5 | -123.7 | -92 | 0 | 0 | 0 | 111 | S105 | Y103-S105 PolarHBondContact O-N 3.17Š| ||
| 104 | Q | 43.5 | Very low | 41.5 | Very low | 179 Ų | 179 | 139.2 Ų | 139.2 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | trans | -49.9 | 115 | 159.2 | -104.3 | 166.9 | -4.7 | 0 | 0 | 109.9 | ||||
| 105 | S | 39 | Very low | 41.9 | Very low | 100 Ų | 100 | 136.7 Ų | 136.7 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | trans | -109.6 | 114.6 | 155 | 59.4 | 0 | 0 | 0 | 0 | 108.4 | Y103 L107 | Y103-S105 PolarHBondContact O-N 3.17Å; S105-L107 PolarHBondContact O-N 3.31Å; S105-L107 VanDerWaalsContact O-N 3.13Å | ||
| 106 | K | 51.8 | Low | 42.4 | Very low | 200 Ų | 200 | 138.8 Ų | 138.8 | 87% | 0.87 | 78% | 0.781 | S | S | * | * | trans | -64.5 | 105.7 | 177.9 | -63.7 | 166.9 | -178.2 | 170.7 | 0 | 108.3 | ||||
| 107 | L | 41.7 | Very low | 43 | Very low | 159 Ų | 159 | 139.5 Ų | 139.5 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -106 | 123.1 | 164.6 | -83 | 163.7 | 0 | 0 | 0 | 109.4 | S105 | S105-L107 PolarHBondContact O-N 3.31Å; S105-L107 VanDerWaalsContact O-N 3.13Å | ||
| 108 | S | 52 | Low | 43.8 | Very low | 100 Ų | 100 | 143 Ų | 143 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | trans | -48.9 | 133.8 | -178.8 | -177 | 0 | 0 | 0 | 0 | 112.1 | H110 | S108-H110 PolarHBondContact O-N 2.68Š| ||
| 109 | K | 42.8 | Very low | 43.9 | Very low | 203 Ų | 203 | 140.9 Ų | 140.9 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | trans | -71.2 | 112.2 | 172.5 | -66.1 | -179.6 | 179.4 | 179.5 | 0 | 108.7 | ||||
| 110 | H | 36 | Very low | 44.1 | Very low | 156 Ų | 156 | 145.3 Ų | 145.3 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | -73 | 142.1 | 167.6 | -82.6 | -94.6 | 0 | 0 | 0 | 110.5 | S108 S112 | S108-H110 PolarHBondContact O-N 2.68Å; H110-S112 VanDerWaalsContact C-N 3.26Å; H110-S112 PolarHBondContact O-N 3.02Å | ||
| 111 | C | 47.8 | Very low | 45.1 | Very low | 127 Ų | 127 | 146.7 Ų | 146.7 | 86% | 0.858 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 15.2 | -162 | 54.2 | 0 | 0 | 0 | 0 | 117.1 | ||
| 112 | S | 52.2 | Low | 45.5 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | 3.7 | -175.8 | 56.4 | 0 | 0 | 0 | 0 | 114.9 | H110 | H110-S112 VanDerWaalsContact C-N 3.26Å; H110-S112 PolarHBondContact O-N 3.02Å |
| 113 | Q | 51.9 | Low | 45.9 | Very low | 179 Ų | 179 | 143.9 Ų | 143.9 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -120.6 | 45.2 | -175.3 | -155.1 | 168.8 | 36.5 | 0 | 0 | 114 | ||
| 114 | T | 45.6 | Very low | 46.4 | Very low | 130 Ų | 130 | 141.7 Ų | 141.7 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -152 | 68.2 | 164.1 | 53.4 | 0 | 0 | 0 | 0 | 111.1 | ||
| 115 | D | 46.5 | Very low | 46.5 | Very low | 97 Ų | 97 | 136.8 Ų | 136.8 | 52% | 0.519 | 78% | 0.78 | S | S | . | * | trans | -158.7 | 63.1 | 153.7 | -142.5 | -14.5 | 0 | 0 | 0 | 112.7 | S117 | D115-S117 PolarHBondContact O-N 3.21Å; D115-S117 PolarHBondContact OD1-OG 2.88Å | ||
| 116 | T | 49.4 | Very low | 47 | Very low | 154 Ų | 154 | 138.9 Ų | 138.9 | 95% | 0.945 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 16.4 | 169.6 | 48.3 | 0 | 0 | 0 | 0 | 112.7 | ||
| 117 | S | 49.9 | Very low | 46.9 | Very low | 98 Ų | 98 | 137.5 Ų | 137.5 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | 2 | -174.9 | 76.8 | 0 | 0 | 0 | 0 | 115 | D115 | D115-S117 PolarHBondContact O-N 3.21Å; D115-S117 PolarHBondContact OD1-OG 2.88Å |
| 118 | K | 53.8 | Low | 47.4 | Very low | 176 Ų | 176 | 133.7 Ų | 133.7 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -135 | 38.8 | -176.9 | -74.1 | -179.8 | -175.9 | 159.1 | 0 | 114.7 | ||
| 119 | G | 43 | Very low | 47.6 | Very low | 64 Ų | 64 | 136.1 Ų | 136.1 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -132.7 | 125.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 120 | F | 42.9 | Very low | 48.1 | Very low | 222 Ų | 222 | 137.8 Ų | 137.8 | 97% | 0.974 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 77.4 | 102.3 | 170.1 | -106.3 | -102.5 | 0 | 0 | 0 | 118.9 | ||
| 121 | G | 52.2 | Low | 48.8 | Very low | 88 Ų | 88 | 135.3 Ų | 135.3 | 91% | 0.907 | 78% | 0.778 | S | S | * | * | trans | 72.6 | 38.9 | 137.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 122 | G | 39.8 | Very low | 48.5 | Very low | 60 Ų | 60 | 135.3 Ų | 135.3 | 62% | 0.619 | 77% | 0.77 | S | S | * | * | trans | -107.8 | 111.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y124 | G122-Y124 VanDerWaalsContact C-N 3.33Å; G122-Y124 PolarHBondContact O-N 3.13Å | ||
| 123 | K | 46 | Very low | 48.7 | Very low | 177 Ų | 177 | 139.9 Ų | 139.9 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 52.8 | 3.1 | 154.6 | 88.1 | 176.6 | -158.8 | -68.6 | 0 | 122.4 | ||
| 124 | Y | 46.9 | Very low | 48.9 | Very low | 189 Ų | 189 | 136.9 Ų | 136.9 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -137.2 | 135.7 | 167.5 | -63.8 | -75.8 | 0 | 0 | 0 | 109.8 | G122 | G122-Y124 VanDerWaalsContact C-N 3.33Å; G122-Y124 PolarHBondContact O-N 3.13Å |
| 125 | G | 46.2 | Very low | 49.1 | Very low | 76 Ų | 76 | 134.7 Ų | 134.7 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 150.1 | -164.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q127 | G125-Q127 PolarHBondContact O-N 3.31Š|
| 126 | V | 48.8 | Very low | 49.1 | Very low | 143 Ų | 143 | 135.7 Ų | 135.7 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 120 | 172.9 | -178.7 | 0 | 0 | 0 | 0 | 108.9 | A128 | V126-A128 PolarHBondContact O-N 2.9Š|
| 127 | Q | 48.4 | Very low | 48.7 | Very low | 171 Ų | 171 | 131.2 Ų | 131.2 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 122.5 | 170.3 | -76.3 | 171.8 | -28.5 | 0 | 0 | 109 | G125 D129 | G125-Q127 PolarHBondContact O-N 3.31Å; Q127-D129 PolarHBondContact O-N 3.11Å; Q127-D129 VanDerWaalsContact O-N 3.15Å |
| 128 | A | 53.8 | Low | 48.8 | Very low | 80 Ų | 80 | 137.3 Ų | 137.3 | 66% | 0.661 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -72.9 | 0.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | V126 | V126-A128 PolarHBondContact O-N 2.9Š|
| 129 | D | 55.9 | Low | 48.7 | Very low | 151 Ų | 151 | 138.1 Ų | 138.1 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -101.9 | 7.5 | -164.6 | -60 | -28.2 | 0 | 0 | 0 | 114.5 | Q127 | Q127-D129 PolarHBondContact O-N 3.11Å; Q127-D129 VanDerWaalsContact O-N 3.15Å |
| 130 | R | 53 | Low | 48.6 | Very low | 238 Ų | 238 | 144.8 Ų | 144.8 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | G | 310 helix | trans | -141.3 | 49.2 | 172 | -73 | -170.6 | 179.4 | 171.4 | -1.1 | 112.4 | ||
| 131 | V | 51.3 | Low | 49.2 | Very low | 103 Ų | 103 | 139 Ų | 139 | 62% | 0.624 | 78% | 0.784 | S | S | * | * | trans | -83 | 114.1 | 166.3 | -178.2 | 0 | 0 | 0 | 0 | 107.9 | K133 | V131-K133 PolarHBondContact O-N 2.93Š| ||
| 132 | D | 41.7 | Very low | 48.8 | Very low | 128 Ų | 128 | 136.7 Ų | 136.7 | 68% | 0.684 | 76% | 0.759 | S | S | * | * | trans | -57.7 | 128.8 | 170.9 | -74.8 | -40.6 | 0 | 0 | 0 | 110.1 | S134 | D132-S134 PolarHBondContact O-N 3.14Š| ||
| 133 | K | 55.4 | Low | 49.5 | Very low | 214 Ų | 214 | 143.8 Ų | 143.8 | 93% | 0.93 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 2.8 | -174.7 | -76.7 | 174.6 | 176.8 | 170.3 | 0 | 114.7 | V131 | V131-K133 PolarHBondContact O-N 2.93Š|
| 134 | S | 55.6 | Low | 49.6 | Very low | 115 Ų | 115 | 141.5 Ų | 141.5 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106 | 1.8 | -173 | 51 | 0 | 0 | 0 | 0 | 114.6 | D132 | D132-S134 PolarHBondContact O-N 3.14Š|
| 135 | A | 50.8 | Low | 50.1 | Low | 85 Ų | 85 | 141.4 Ų | 141.4 | 70% | 0.702 | 78% | 0.781 | S | S | * | * | trans | -127.1 | 70.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 136 | V | 46.6 | Very low | 50.2 | Low | 117 Ų | 117 | 145.7 Ų | 145.7 | 71% | 0.709 | 78% | 0.778 | S | S | * | * | trans | -131.1 | 117.6 | 162.8 | -162.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 137 | G | 41.5 | Very low | 49.8 | Very low | 60 Ų | 60 | 146.6 Ų | 146.6 | 62% | 0.619 | 77% | 0.772 | S | S | * | * | trans | -66.9 | 174.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | E139 | G137-E139 PolarHBondContact O-N 3.36Š| ||
| 138 | F | 50.6 | Low | 49.9 | Very low | 227 Ų | 227 | 143.4 Ų | 143.4 | 100% | 0.996 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -66.2 | 35.8 | -176.9 | -85.9 | -92.5 | 0 | 0 | 0 | 115.9 | ||
| 139 | E | 53 | Low | 50 | Low | 193 Ų | 193 | 145.1 Ų | 145.1 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | trans | -138.6 | 73.1 | 172.4 | -72.9 | -174 | 167.8 | 0 | 0 | 110.4 | G137 | G137-E139 PolarHBondContact O-N 3.36Š| ||
| 140 | Y | 39.3 | Very low | 49.9 | Very low | 203 Ų | 203 | 144.9 Ų | 144.9 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | trans | -132.8 | 100.8 | 163.1 | -173.3 | -104.6 | 0 | 0 | 0 | 109.9 | G142 | Y140-G142 PolarHBondContact O-N 3.38Š| ||
| 141 | A | 55.5 | Low | 49.7 | Very low | 101 Ų | 101 | 142 Ų | 142 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | trans | -73.7 | 79.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | K143 | A141-K143 PolarHBondContact O-N 3.49Š| ||
| 142 | G | 45.5 | Very low | 49.4 | Very low | 39 Ų | 39 | 144 Ų | 144 | 40% | 0.402 | 78% | 0.777 | S | S | . | * | trans | -63.3 | 113.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y140 T144 | Y140-G142 PolarHBondContact O-N 3.38Å; G142-T144 VanDerWaalsContact C-N 3.34Å; G142-T144 PolarHBondContact O-N 3.25Å | ||
| 143 | K | 53.2 | Low | 49.7 | Very low | 210 Ų | 210 | 149.1 Ų | 149.1 | 91% | 0.913 | 79% | 0.789 | S | S | * | * | trans | -62.2 | 96.2 | 165.6 | -76.7 | 168.3 | 179.7 | 166.7 | 0 | 108.3 | A141 E145 | A141-K143 PolarHBondContact O-N 3.49Å; K143-E145 PolarHBondContact O-N 3.26Å | ||
| 144 | T | 49.9 | Very low | 49.4 | Very low | 129 Ų | 129 | 144.9 Ų | 144.9 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -64 | 122.9 | 166.8 | 15.4 | 0 | 0 | 0 | 0 | 109.1 | G142 K146 | G142-T144 VanDerWaalsContact C-N 3.34Å; G142-T144 PolarHBondContact O-N 3.25Å; T144-K146 PolarHBondContact O-N 3.39Å |
| 145 | E | 55.7 | Low | 49.3 | Very low | 187 Ų | 187 | 146.1 Ų | 146.1 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 123.2 | 166.3 | -80.2 | -176.3 | 139.6 | 0 | 0 | 109 | K143 H147 | K143-E145 PolarHBondContact O-N 3.26Å; E145-H147 PolarHBondContact O-N 2.91Å |
| 146 | K | 48.3 | Very low | 48.9 | Very low | 165 Ų | 165 | 145.6 Ų | 145.6 | 72% | 0.717 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -70 | 128.5 | -179.8 | -64.3 | -178.1 | 178.6 | -176.8 | 0 | 109.9 | T144 | T144-K146 PolarHBondContact O-N 3.39Š|
| 147 | H | 40.6 | Very low | 48.6 | Very low | 163 Ų | 163 | 149.7 Ų | 149.7 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 149.4 | 169.6 | -71.7 | -90.1 | 0 | 0 | 0 | 111.8 | E145 S149 Q150 | E145-H147 PolarHBondContact O-N 2.91Å; H147-S149 PolarHBondContact O-N 3.46Å; H147-Q150 PolarHBondContact O-N 3.33Å |
| 148 | A | 50.8 | Low | 49.2 | Very low | 104 Ų | 104 | 151 Ų | 151 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | 5.8 | -172 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 149 | S | 56.4 | Low | 49 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -0.7 | 175.3 | 57.3 | 0 | 0 | 0 | 0 | 114 | H147 | H147-S149 PolarHBondContact O-N 3.46Š|
| 150 | Q | 54 | Low | 49 | Very low | 147 Ų | 147 | 145.7 Ų | 145.7 | 69% | 0.687 | 80% | 0.795 | S | S | * | * | trans | -130.6 | 59.5 | 179.1 | -156.6 | 167.8 | 31.2 | 0 | 0 | 111.8 | H147 | H147-Q150 PolarHBondContact O-N 3.33Š| ||
| 151 | K | 48.9 | Very low | 49.7 | Very low | 176 Ų | 176 | 146.6 Ų | 146.6 | 77% | 0.765 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -126.4 | 134.4 | 159.3 | -72.5 | -177.3 | -178.6 | 175.6 | 0 | 108 | ||
| 152 | D | 45.4 | Very low | 49.2 | Very low | 145 Ų | 145 | 145.6 Ų | 145.6 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | trans | -48.3 | 133.2 | -167.4 | -62.5 | -62.6 | 0 | 0 | 0 | 115.6 | T154 | D152-T154 VanDerWaalsContact C-N 3.31Å; D152-T154 HydrophobicContact CB-CG2 4.35Å; D152-T154 PolarHBondContact O-N 2.92Å | ||
| 153 | Y | 46 | Very low | 49.5 | Very low | 236 Ų | 236 | 150.3 Ų | 150.3 | 93% | 0.925 | 82% | 0.819 | S | S | * | * | trans | -64.4 | 89.5 | 157.3 | -69.7 | -87.6 | 0 | 0 | 0 | 109.4 | ||||
| 154 | T | 51.1 | Low | 49.3 | Very low | 125 Ų | 125 | 147.6 Ų | 147.6 | 77% | 0.767 | 81% | 0.809 | S | S | * | * | trans | -118 | 9.4 | 168.8 | 39.2 | 0 | 0 | 0 | 0 | 113.6 | D152 | D152-T154 VanDerWaalsContact C-N 3.31Å; D152-T154 HydrophobicContact CB-CG2 4.35Å; D152-T154 PolarHBondContact O-N 2.92Å | ||
| 155 | T | 53.1 | Low | 49.5 | Very low | 142 Ų | 142 | 145.5 Ų | 145.5 | 87% | 0.871 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -138.3 | 84.5 | 169.2 | 53.3 | 0 | 0 | 0 | 0 | 111.1 | ||
| 156 | G | 41.7 | Very low | 49.6 | Very low | 74 Ų | 74 | 143.8 Ų | 143.8 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | S | Bend | trans | 177.8 | 93.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 157 | F | 41.3 | Very low | 49.8 | Very low | 203 Ų | 203 | 146.6 Ų | 146.6 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | S | Bend | trans | 70.3 | 88.6 | 164.7 | -139.8 | -98.2 | 0 | 0 | 0 | 117.9 | ||
| 158 | G | 53.9 | Low | 50.3 | Low | 86 Ų | 86 | 143.9 Ų | 143.9 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | trans | 123.2 | 37.6 | 154.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 159 | G | 45.4 | Very low | 49.9 | Very low | 69 Ų | 69 | 145.2 Ų | 145.2 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -146.3 | 111.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116 | Y161 | G159-Y161 PolarHBondContact O-N 3.5Š|
| 160 | R | 52.7 | Low | 50 | Low | 240 Ų | 240 | 149.5 Ų | 149.5 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | S | Bend | trans | 52.7 | -10.2 | 161.9 | -63.3 | -152.6 | -73.1 | -162.5 | -2.3 | 123.2 | ||
| 161 | Y | 53.5 | Low | 50.1 | Low | 223 Ų | 223 | 147.7 Ų | 147.7 | 88% | 0.875 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -146.4 | 109.5 | 171.7 | -69.6 | -84.7 | 0 | 0 | 0 | 112.8 | G159 | G159-Y161 PolarHBondContact O-N 3.5Š|
| 162 | G | 45.4 | Very low | 50.3 | Low | 80 Ų | 80 | 143.2 Ų | 143.2 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | 75.9 | 115.9 | 153.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 163 | V | 53.2 | Low | 50.4 | Low | 137 Ų | 137 | 143.3 Ų | 143.3 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | trans | -73.4 | 132.6 | 169.7 | 177.9 | 0 | 0 | 0 | 0 | 109.7 | A165 | V163-A165 PolarHBondContact O-N 3.22Š| ||
| 164 | Q | 47.9 | Very low | 50.2 | Low | 154 Ų | 154 | 134.9 Ų | 134.9 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | trans | -61.9 | 127.3 | 168.4 | -73.5 | 173.1 | -21.8 | 0 | 0 | 109.6 | D166 | Q164-D166 PolarHBondContact O-N 3.06Š| ||
| 165 | A | 55 | Low | 50 | Low | 84 Ų | 84 | 139 Ų | 139 | 69% | 0.694 | 80% | 0.8 | S | S | * | * | G | 310 helix | trans | -68.5 | -1.8 | -175 | 0 | 0 | 0 | 0 | 0 | 114.9 | V163 | V163-A165 PolarHBondContact O-N 3.22Š|
| 166 | D | 58 | Low | 49.7 | Very low | 152 Ų | 152 | 140.5 Ų | 140.5 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | G | 310 helix | trans | -99.4 | 11.6 | -167.7 | -60.2 | -28.2 | 0 | 0 | 0 | 114.3 | Q164 | Q164-D166 PolarHBondContact O-N 3.06Š|
| 167 | R | 52.2 | Low | 49.6 | Very low | 224 Ų | 224 | 146.9 Ų | 146.9 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | G | 310 helix | trans | -144.9 | 41.5 | 173 | -67.5 | -171.6 | -172.9 | 164.2 | 2.6 | 113.5 | ||
| 168 | V | 50.3 | Low | 49.8 | Very low | 106 Ų | 106 | 145.9 Ų | 145.9 | 64% | 0.642 | 80% | 0.803 | S | S | * | * | trans | -85.4 | 116.3 | 169.7 | 179.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 169 | D | 42.6 | Very low | 49.6 | Very low | 131 Ų | 131 | 143.6 Ų | 143.6 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | -56.3 | 133.9 | 171.6 | -94.1 | -39 | 0 | 0 | 0 | 111.2 | S171 | D169-S171 PolarHBondContact O-N 3.37Š| ||
| 170 | Q | 58.7 | Low | 49.5 | Very low | 205 Ų | 205 | 149.3 Ų | 149.3 | 96% | 0.958 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 9.2 | -178.7 | -77.9 | -152.4 | -21.4 | 0 | 0 | 115.3 | ||
| 171 | S | 55.5 | Low | 49.2 | Very low | 109 Ų | 109 | 143.3 Ų | 143.3 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | 7.8 | -174.8 | 50.9 | 0 | 0 | 0 | 0 | 114.7 | D169 | D169-S171 PolarHBondContact O-N 3.37Š|
| 172 | A | 53.3 | Low | 49.2 | Very low | 82 Ų | 82 | 142.1 Ų | 142.1 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | trans | -128.2 | 56.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 173 | V | 48.3 | Very low | 49.5 | Very low | 147 Ų | 147 | 145.8 Ų | 145.8 | 89% | 0.891 | 77% | 0.771 | S | S | * | * | trans | -144.4 | 109.8 | 150.3 | -157.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 174 | G | 41 | Very low | 48.9 | Very low | 60 Ų | 60 | 146.4 Ų | 146.4 | 62% | 0.619 | 77% | 0.765 | S | S | * | * | trans | -81.5 | 156.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | D176 | G174-D176 PolarHBondContact O-N 3.15Š| ||
| 175 | F | 47.2 | Very low | 48.9 | Very low | 212 Ų | 212 | 147.5 Ų | 147.5 | 93% | 0.93 | 77% | 0.77 | S | S | * | * | trans | 37.3 | 74.7 | 151.8 | -77.3 | -93.2 | 0 | 0 | 0 | 117.5 | ||||
| 176 | D | 47.2 | Very low | 49 | Very low | 173 Ų | 173 | 147.9 Ų | 147.9 | 93% | 0.925 | 77% | 0.767 | S | S | * | * | trans | -149.7 | 90.8 | 133.7 | -95 | -33.1 | 0 | 0 | 0 | 109.1 | G174 | G174-D176 PolarHBondContact O-N 3.15Š| ||
| 177 | Y | 38.9 | Very low | 48.7 | Very low | 207 Ų | 207 | 146.7 Ų | 146.7 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | trans | -77.5 | 119.4 | 174.5 | 175.5 | -91.7 | 0 | 0 | 0 | 109.8 | ||||
| 178 | Q | 45.8 | Very low | 48.7 | Very low | 182 Ų | 182 | 145.8 Ų | 145.8 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | trans | -134 | 93.6 | 143.6 | -74 | -161.9 | 4.4 | 0 | 0 | 109.2 | ||||
| 179 | G | 49.8 | Very low | 48.6 | Very low | 38 Ų | 38 | 143.3 Ų | 143.3 | 39% | 0.392 | 75% | 0.75 | S | S | . | * | trans | -64.8 | 144.8 | 164 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 180 | K | 44.1 | Very low | 49.1 | Very low | 189 Ų | 189 | 143.4 Ų | 143.4 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | trans | -165.1 | 97.4 | 151 | -100.8 | 152.8 | -165 | -178.4 | 0 | 111.3 | ||||
| 181 | T | 45.2 | Very low | 48.5 | Very low | 114 Ų | 114 | 144.6 Ų | 144.6 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | trans | 73.9 | 113.9 | 137.7 | -24.7 | 0 | 0 | 0 | 0 | 118.9 | K183 | T181-K183 PolarHBondContact O-N 2.97Š| ||
| 182 | E | 54.6 | Low | 48 | Very low | 198 Ų | 198 | 144.2 Ų | 144.2 | 93% | 0.925 | 75% | 0.751 | S | S | * | * | trans | -52.9 | 121.9 | 159.9 | -77.7 | 178.8 | 142.8 | 0 | 0 | 110.3 | ||||
| 183 | K | 51.2 | Low | 48 | Very low | 157 Ų | 157 | 148.4 Ų | 148.4 | 68% | 0.683 | 75% | 0.754 | S | S | * | * | trans | -106 | 133.9 | 172.7 | -70.5 | -178.6 | -178.9 | 175.3 | 0 | 109.6 | T181 | T181-K183 PolarHBondContact O-N 2.97Š| ||
| 184 | H | 40 | Very low | 47.8 | Very low | 150 Ų | 150 | 144.8 Ų | 144.8 | 69% | 0.694 | 75% | 0.746 | S | S | * | * | trans | -43.2 | 150.3 | -176 | -147.3 | -94.7 | 0 | 0 | 0 | 115.4 | S186 Q187 | H184-S186 PolarHBondContact O-N 3.44Å; H184-Q187 PolarHBondContact O-N 3.28Å; H184-Q187 VanDerWaalsContact O-N 3.12Å | ||
| 185 | E | 47.9 | Very low | 48.1 | Very low | 178 Ų | 178 | 152.5 Ų | 152.5 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -57.9 | -8.6 | -177.3 | -74 | -169.5 | 144.2 | 0 | 0 | 115.8 | Q187 | E185-Q187 VanDerWaalsContact C-N 3.26Å; E185-Q187 PolarHBondContact O-N 2.83Å |
| 186 | S | 56.7 | Low | 48.4 | Very low | 92 Ų | 92 | 146.3 Ų | 146.3 | 64% | 0.643 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -81.4 | 5.5 | 173.6 | 54.5 | 0 | 0 | 0 | 0 | 114.8 | H184 | H184-S186 PolarHBondContact O-N 3.44Š|
| 187 | Q | 53.2 | Low | 48.3 | Very low | 127 Ų | 127 | 140.8 Ų | 140.8 | 59% | 0.593 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -111.6 | 8.5 | 170.3 | -71 | 177.7 | 30.4 | 0 | 0 | 113.6 | H184 E185 | H184-Q187 PolarHBondContact O-N 3.28Å; H184-Q187 VanDerWaalsContact O-N 3.12Å; E185-Q187 VanDerWaalsContact C-N 3.26Å; E185-Q187 PolarHBondContact O-N 2.83Å |
| 188 | K | 51.3 | Low | 48.8 | Very low | 205 Ų | 205 | 140.2 Ų | 140.2 | 89% | 0.891 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -98.7 | 4.6 | 170 | -90.4 | -174.8 | 178.7 | 178.9 | 0 | 113.9 | ||
| 189 | A | 49.1 | Very low | 49 | Very low | 54 Ų | 54 | 140.1 Ų | 140.1 | 45% | 0.446 | 74% | 0.742 | S | S | . | * | S | Bend | trans | -110.6 | 124.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 190 | D | 51.2 | Low | 49.1 | Very low | 133 Ų | 133 | 142.1 Ų | 142.1 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | trans | 67.3 | 75.5 | 152 | -56.1 | -33.1 | 0 | 0 | 0 | 119.1 | ||||
| 191 | Y | 46.5 | Very low | 49.5 | Very low | 230 Ų | 230 | 139 Ų | 139 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -131.7 | 32 | 154.8 | -74.6 | -77.2 | 0 | 0 | 0 | 113.5 | ||
| 192 | A | 45.5 | Very low | 49.8 | Very low | 100 Ų | 100 | 138.9 Ų | 138.9 | 83% | 0.826 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -125.1 | 12.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 193 | K | 53.8 | Low | 49.9 | Very low | 171 Ų | 171 | 134.7 Ų | 134.7 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -127.4 | 77.2 | 167.4 | -76.9 | -175.5 | 176.9 | 179.2 | 0 | 108.5 | ||
| 194 | G | 44.4 | Very low | 50.4 | Low | 70 Ų | 70 | 134 Ų | 134 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -172.4 | 105 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 195 | F | 47.2 | Very low | 51.2 | Low | 222 Ų | 222 | 135 Ų | 135 | 97% | 0.974 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 38.1 | 97.4 | 153.8 | -113.4 | -99.7 | 0 | 0 | 0 | 118.3 | ||
| 196 | G | 52.7 | Low | 51.5 | Low | 82 Ų | 82 | 131.1 Ų | 131.1 | 85% | 0.845 | 73% | 0.733 | S | S | * | * | trans | 75 | 77.8 | 144.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 197 | G | 46.2 | Very low | 50.9 | Low | 58 Ų | 58 | 132.8 Ų | 132.8 | 60% | 0.598 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -177.4 | 118 | 162.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | F199 | G197-F199 VanDerWaalsContact C-N 3.25Å; G197-F199 PolarHBondContact O-N 2.9Å |
| 198 | K | 48.8 | Very low | 51.2 | Low | 195 Ų | 195 | 136.8 Ų | 136.8 | 85% | 0.848 | 75% | 0.75 | S | S | * | * | S | Bend | trans | 48.4 | 5.2 | 162.3 | 73.6 | 176.6 | -172.9 | -70.6 | 0 | 121.6 | ||
| 199 | F | 50.1 | Low | 51.5 | Low | 180 Ų | 180 | 132.3 Ų | 132.3 | 79% | 0.789 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -138.7 | 138.7 | 161.8 | -68 | -84.6 | 0 | 0 | 0 | 108.2 | G197 | G197-F199 VanDerWaalsContact C-N 3.25Å; G197-F199 PolarHBondContact O-N 2.9Å |
| 200 | G | 50.7 | Low | 51.7 | Low | 80 Ų | 80 | 133.8 Ų | 133.8 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | trans | -48.7 | 148.6 | -158.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | E202 | G200-E202 PolarHBondContact O-N 2.92Š| ||
| 201 | V | 53.3 | Low | 51.6 | Low | 122 Ų | 122 | 132.9 Ų | 132.9 | 74% | 0.739 | 76% | 0.756 | S | S | * | * | trans | -66.7 | 125.9 | 172.7 | 177.8 | 0 | 0 | 0 | 0 | 109.2 | T203 | V201-T203 PolarHBondContact O-N 2.93Š| ||
| 202 | E | 51.8 | Low | 51.2 | Low | 113 Ų | 113 | 125.1 Ų | 125.1 | 53% | 0.528 | 75% | 0.745 | S | S | . | * | trans | -65.8 | 107.9 | 174 | -166.9 | 172.5 | -164.2 | 0 | 0 | 109 | G200 D204 | G200-E202 PolarHBondContact O-N 2.92Å; E202-D204 VanDerWaalsContact C-N 3.27Å; E202-D204 PolarHBondContact O-N 2.82Å | ||
| 203 | T | 57.2 | Low | 51.5 | Low | 109 Ų | 109 | 130.4 Ų | 130.4 | 67% | 0.669 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -77.3 | -10.6 | -173.5 | 46.4 | 0 | 0 | 0 | 0 | 114.2 | V201 K205 | V201-T203 PolarHBondContact O-N 2.93Å; T203-K205 VanDerWaalsContact C-N 3.32Å; T203-K205 PolarHBondContact O-N 3.09Å |
| 204 | D | 60 | Low | 51.7 | Low | 142 Ų | 142 | 131.1 Ų | 131.1 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -91.4 | 5.2 | -164.6 | -62.2 | -10.5 | 0 | 0 | 0 | 113.6 | E202 | E202-D204 VanDerWaalsContact C-N 3.27Å; E202-D204 PolarHBondContact O-N 2.82Å |
| 205 | K | 57.8 | Low | 51.5 | Low | 172 Ų | 172 | 137.3 Ų | 137.3 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -135.8 | 23.1 | 176.1 | -66.1 | -175.7 | -179 | 176 | 0 | 113.9 | T203 | T203-K205 VanDerWaalsContact C-N 3.32Å; T203-K205 PolarHBondContact O-N 3.09Å |
| 206 | V | 53.6 | Low | 51.5 | Low | 97 Ų | 97 | 135.6 Ų | 135.6 | 59% | 0.588 | 75% | 0.754 | S | S | * | * | trans | -85.9 | 118.5 | 172.3 | 177.2 | 0 | 0 | 0 | 0 | 109.2 | K208 | V206-K208 PolarHBondContact O-N 2.8Š| ||
| 207 | D | 44.4 | Very low | 51.5 | Low | 127 Ų | 127 | 134.9 Ų | 134.9 | 68% | 0.679 | 75% | 0.746 | S | S | * | * | trans | -58.4 | 131.7 | 176.1 | -75.6 | -41.4 | 0 | 0 | 0 | 111.7 | S209 A210 | D207-S209 PolarHBondContact O-N 2.93Å; D207-A210 PolarHBondContact O-N 3.38Å | ||
| 208 | K | 59.3 | Low | 51.5 | Low | 211 Ų | 211 | 140.7 Ų | 140.7 | 92% | 0.917 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | 3.2 | -178.5 | -82.1 | 164.5 | 176 | 166.6 | 0 | 115.1 | V206 | V206-K208 PolarHBondContact O-N 2.8Š|
| 209 | S | 58.3 | Low | 51.5 | Low | 110 Ų | 110 | 137.9 Ų | 137.9 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | -1 | -177.5 | 50.7 | 0 | 0 | 0 | 0 | 114.5 | D207 V211 | D207-S209 PolarHBondContact O-N 2.93Å; S209-V211 PolarHBondContact O-N 2.83Å |
| 210 | A | 52.6 | Low | 51.7 | Low | 85 Ų | 85 | 138 Ų | 138 | 70% | 0.702 | 76% | 0.758 | S | S | * | * | trans | -90.1 | 45.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D207 G212 | D207-A210 PolarHBondContact O-N 3.38Å; A210-G212 PolarHBondContact O-N 2.9Å | ||
| 211 | V | 49 | Very low | 51.8 | Low | 115 Ų | 115 | 143.2 Ų | 143.2 | 70% | 0.697 | 75% | 0.752 | S | S | * | * | trans | -86 | 91.3 | 173.2 | -173 | 0 | 0 | 0 | 0 | 108.4 | S209 | S209-V211 PolarHBondContact O-N 2.83Š| ||
| 212 | G | 39.4 | Very low | 51.6 | Low | 66 Ų | 66 | 144.5 Ų | 144.5 | 68% | 0.68 | 75% | 0.75 | S | S | * | * | trans | -72.2 | 128.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | A210 E214 | A210-G212 PolarHBondContact O-N 2.9Å; G212-E214 VanDerWaalsContact C-N 3.26Å; G212-E214 PolarHBondContact O-N 3.36Å | ||
| 213 | F | 51.9 | Low | 51.5 | Low | 212 Ų | 212 | 147.1 Ų | 147.1 | 93% | 0.93 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -62.7 | 67.3 | -179.6 | -80.5 | -105.7 | 0 | 0 | 0 | 113.4 | ||
| 214 | E | 56.1 | Low | 51.3 | Low | 186 Ų | 186 | 145.8 Ų | 145.8 | 87% | 0.869 | 76% | 0.757 | S | S | * | * | trans | -166.1 | 78.4 | 166.8 | -137.6 | 163.5 | -161.7 | 0 | 0 | 112.3 | G212 | G212-E214 VanDerWaalsContact C-N 3.26Å; G212-E214 PolarHBondContact O-N 3.36Å | ||
| 215 | Y | 40.5 | Very low | 51.1 | Low | 199 Ų | 199 | 144.4 Ų | 144.4 | 78% | 0.78 | 75% | 0.746 | S | S | * | * | trans | -150.7 | 107.9 | 154.3 | -165.8 | -108.7 | 0 | 0 | 0 | 111.4 | ||||
| 216 | Q | 47.1 | Very low | 50.7 | Low | 187 Ų | 187 | 145.1 Ų | 145.1 | 87% | 0.874 | 75% | 0.749 | S | S | * | * | trans | -81 | 119.5 | 174 | -69.4 | -168.9 | -10.8 | 0 | 0 | 110.7 | ||||
| 217 | G | 52.6 | Low | 50.7 | Low | 66 Ų | 66 | 143.5 Ų | 143.5 | 68% | 0.68 | 75% | 0.746 | S | S | * | * | trans | 59.3 | 87.7 | 131 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 218 | K | 46 | Very low | 50.9 | Low | 180 Ų | 180 | 142.1 Ų | 142.1 | 78% | 0.783 | 74% | 0.739 | S | S | * | * | trans | -139.2 | 89.3 | 135.8 | -67.3 | -175 | -175.8 | 166.7 | 0 | 108.3 | E220 | K218-E220 PolarHBondContact O-N 3.37Š| ||
| 219 | T | 50.5 | Low | 50.2 | Low | 137 Ų | 137 | 143.2 Ų | 143.2 | 84% | 0.84 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 126.6 | 164.1 | 9.2 | 0 | 0 | 0 | 0 | 108.7 | R221 | T219-R221 PolarHBondContact O-N 3.38Å; T219-R221 VanDerWaalsContact O-N 3.16Å |
| 220 | E | 54.3 | Low | 49.7 | Very low | 182 Ų | 182 | 144.6 Ų | 144.6 | 85% | 0.85 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 121.4 | 171.4 | -74.1 | -174 | 136.6 | 0 | 0 | 108.6 | K218 H222 | K218-E220 PolarHBondContact O-N 3.37Å; E220-H222 PolarHBondContact O-N 3.3Å |
| 221 | R | 51.5 | Low | 49.7 | Very low | 190 Ų | 190 | 147.3 Ų | 147.3 | 72% | 0.717 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 126.4 | 175.6 | -62.8 | 171.2 | 87.2 | 168.3 | 0.6 | 107.2 | T219 Q225 | T219-R221 PolarHBondContact O-N 3.38Å; T219-R221 VanDerWaalsContact O-N 3.16Å; R221-Q225 HydrophobicContact CB-CB 4.23Å |
| 222 | H | 49.7 | Very low | 49.6 | Very low | 149 Ų | 149 | 144.7 Ų | 144.7 | 69% | 0.69 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 149.3 | 177.7 | -145.2 | -83.4 | 0 | 0 | 0 | 111.3 | E220 S224 Q225 | E220-H222 PolarHBondContact O-N 3.3Å; H222-S224 PolarHBondContact O-N 3.4Å; H222-Q225 PolarHBondContact O-N 2.99Å |
| 223 | E | 49.5 | Very low | 50.1 | Low | 167 Ų | 167 | 152 Ų | 152 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -50.5 | -21.2 | -170.8 | -69.3 | 176.5 | 143 | 0 | 0 | 115.5 | Q225 K226 | E223-Q225 PolarHBondContact O-N 3.38Å; E223-Q225 VanDerWaalsContact O-N 3.11Å; E223-K226 PolarHBondContact O-N 2.53Å |
| 224 | S | 53.8 | Low | 50.1 | Low | 81 Ų | 81 | 145.4 Ų | 145.4 | 57% | 0.566 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -64.1 | -5.6 | 172.2 | 55.1 | 0 | 0 | 0 | 0 | 115.3 | H222 | H222-S224 PolarHBondContact O-N 3.4Š|
| 225 | Q | 55.1 | Low | 49.9 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 53% | 0.528 | 73% | 0.728 | S | S | . | * | G | 310 helix | trans | -118.9 | 4.1 | -179.6 | -63.7 | -179.8 | 35.3 | 0 | 0 | 113.7 | R221 H222 E223 | R221-Q225 HydrophobicContact CB-CB 4.23Å; H222-Q225 PolarHBondContact O-N 2.99Å; E223-Q225 PolarHBondContact O-N 3.38Å; E223-Q225 VanDerWaalsContact O-N 3.11Å |
| 226 | K | 50 | Low | 50.4 | Low | 187 Ų | 187 | 139.8 Ų | 139.8 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | -4.5 | 171.7 | -90.5 | -177.3 | 179.7 | 174.5 | 0 | 113.6 | E223 | E223-K226 PolarHBondContact O-N 2.53Š|
| 227 | A | 53.1 | Low | 50.8 | Low | 64 Ų | 64 | 140.1 Ų | 140.1 | 53% | 0.529 | 73% | 0.732 | S | S | . | * | trans | -132.7 | 81.4 | -176 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 228 | D | 48.5 | Very low | 50.9 | Low | 98 Ų | 98 | 140.5 Ų | 140.5 | 52% | 0.524 | 74% | 0.736 | S | S | . | * | trans | -157.6 | 118.6 | 160 | -82.1 | -40.5 | 0 | 0 | 0 | 105.9 | ||||
| 229 | Y | 44.3 | Very low | 51.4 | Low | 233 Ų | 233 | 136.8 Ų | 136.8 | 91% | 0.914 | 73% | 0.728 | S | S | * | * | S | Bend | -139.1 | 11 | 77.6 | -65.8 | -81 | 0 | 0 | 0 | 115 | |||
| 230 | V | 48.8 | Very low | 51.7 | Low | 140 Ų | 140 | 135 Ų | 135 | 85% | 0.848 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -97.7 | -10.2 | -174.9 | -175.6 | 0 | 0 | 0 | 0 | 112.7 | ||
| 231 | K | 51.6 | Low | 52 | Low | 141 Ų | 141 | 131 Ų | 131 | 61% | 0.613 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -128.6 | 67.3 | -176.2 | -69.3 | -177.8 | -178.6 | 174.1 | 0 | 111 | ||
| 232 | G | 47.6 | Very low | 52.4 | Low | 60 Ų | 60 | 128.8 Ų | 128.8 | 62% | 0.619 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -147.7 | 139 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | G234 | G232-G234 PolarHBondContact O-N 2.98Š|
| 233 | F | 49 | Very low | 52.8 | Low | 221 Ų | 221 | 131.7 Ų | 131.7 | 97% | 0.969 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -17.3 | 112.2 | 176.7 | -117.1 | -106.6 | 0 | 0 | 0 | 116.2 | ||
| 234 | G | 52.4 | Low | 53.2 | Low | 72 Ų | 72 | 128 Ų | 128 | 74% | 0.742 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 59 | 57.5 | 148.2 | 0 | 0 | 0 | 0 | 0 | 118 | G232 | G232-G234 PolarHBondContact O-N 2.98Š|
| 235 | G | 51.2 | Low | 53.1 | Low | 60 Ų | 60 | 130 Ų | 130 | 62% | 0.619 | 69% | 0.693 | S | S | * | * | trans | -139.9 | 134.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | F237 | G235-F237 PolarHBondContact O-N 3.08Š| ||
| 236 | K | 51.9 | Low | 53.4 | Low | 207 Ų | 207 | 134.1 Ų | 134.1 | 90% | 0.9 | 71% | 0.709 | S | S | * | * | S | Bend | trans | 36 | -14.1 | 170.4 | -88 | -177.6 | -176.3 | -79.4 | 0 | 122.5 | ||
| 237 | F | 54.7 | Low | 53.8 | Low | 195 Ų | 195 | 130.6 Ų | 130.6 | 86% | 0.855 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -138.9 | 49.5 | -175.5 | -70 | -80.3 | 0 | 0 | 0 | 112.7 | G235 | G235-F237 PolarHBondContact O-N 3.08Š|
| 238 | G | 54.5 | Low | 53.9 | Low | 73 Ų | 73 | 130.4 Ų | 130.4 | 75% | 0.753 | 71% | 0.706 | S | S | * | * | trans | 70.1 | 144.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 239 | V | 58.4 | Low | 54.3 | Low | 102 Ų | 102 | 129.4 Ų | 129.4 | 62% | 0.618 | 70% | 0.7 | S | S | * | * | trans | -76.7 | 134 | 173.4 | 178.1 | 0 | 0 | 0 | 0 | 108.4 | T241 | V239-T241 PolarHBondContact O-N 3.3Å; V239-T241 VanDerWaalsContact O-N 3.13Å | ||
| 240 | Q | 56.5 | Low | 54.9 | Low | 101 Ų | 101 | 120.9 Ų | 120.9 | 47% | 0.472 | 68% | 0.683 | S | S | . | * | trans | -62.7 | 109.7 | 176.3 | -127 | -180 | -9.3 | 0 | 0 | 109.9 | D242 | Q240-D242 VanDerWaalsContact C-N 3.32Å; Q240-D242 PolarHBondContact O-N 3.46Å | ||
| 241 | T | 60.5 | Low | 55.1 | Low | 98 Ų | 98 | 127.1 Ų | 127.1 | 60% | 0.601 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -72 | -25.6 | -177.5 | 46.9 | 0 | 0 | 0 | 0 | 113.3 | V239 R243 Q244 | V239-T241 PolarHBondContact O-N 3.3Å; V239-T241 VanDerWaalsContact O-N 3.13Å; T241-R243 VanDerWaalsContact C-N 3.28Å; T241-R243 PolarHBondContact O-N 2.96Å; T241-Q244 PolarHBondContact O-N 3.48Å |
| 242 | D | 58.5 | Low | 55.3 | Low | 143 Ų | 143 | 127.9 Ų | 127.9 | 77% | 0.765 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -80.4 | -7.6 | -167.7 | -52.2 | -19.8 | 0 | 0 | 0 | 113.9 | Q240 | Q240-D242 VanDerWaalsContact C-N 3.32Å; Q240-D242 PolarHBondContact O-N 3.46Å |
| 243 | R | 58.3 | Low | 55.5 | Low | 209 Ų | 209 | 129.9 Ų | 129.9 | 79% | 0.789 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -125.6 | 16.4 | 175.9 | -86.4 | -174 | 176 | 171.1 | -2.5 | 112.8 | T241 D245 | T241-R243 VanDerWaalsContact C-N 3.28Å; T241-R243 PolarHBondContact O-N 2.96Å; R243-D245 PolarHBondContact O-N 3.5Å |
| 244 | Q | 57.8 | Low | 56 | Low | 91 Ų | 91 | 128 Ų | 128 | 43% | 0.425 | 69% | 0.69 | S | S | . | * | trans | -72 | 119 | 178.5 | -159.9 | 167.8 | 16.5 | 0 | 0 | 109.3 | T241 A248 | T241-Q244 PolarHBondContact O-N 3.48Å; Q244-A248 HydrophobicContact CG-CB 4.34Å | ||
| 245 | D | 53.2 | Low | 56.4 | Low | 121 Ų | 121 | 131.6 Ų | 131.6 | 65% | 0.647 | 69% | 0.687 | S | S | * | * | trans | -60.1 | 137.6 | 175 | -72.3 | -36.8 | 0 | 0 | 0 | 109.8 | R243 S247 A248 | R243-D245 PolarHBondContact O-N 3.5Å; D245-S247 PolarHBondContact O-N 3Å; D245-A248 WeakPolarHBondContact O-CB 3.43Å; D245-A248 PolarHBondContact O-N 3.34Å | ||
| 246 | K | 59.8 | Low | 57 | Low | 201 Ų | 201 | 138.2 Ų | 138.2 | 87% | 0.874 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -57.5 | -19 | -178.7 | -70 | -179.5 | 176.6 | -176.4 | 0 | 113.8 | ||
| 247 | S | 60 | Low | 57.4 | Low | 112 Ų | 112 | 135.3 Ų | 135.3 | 78% | 0.783 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -85.9 | -6.9 | 177 | 49.9 | 0 | 0 | 0 | 0 | 114.2 | D245 | D245-S247 PolarHBondContact O-N 3Š|
| 248 | A | 55.2 | Low | 57.9 | Low | 60 Ų | 60 | 134.5 Ų | 134.5 | 50% | 0.496 | 69% | 0.691 | S | S | . | * | G | 310 helix | trans | -98.6 | 9.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q244 D245 | Q244-A248 HydrophobicContact CG-CB 4.34Å; D245-A248 WeakPolarHBondContact O-CB 3.43Å; D245-A248 PolarHBondContact O-N 3.34Å |
| 249 | L | 55.5 | Low | 58.3 | Low | 77 Ų | 77 | 134.8 Ų | 134.8 | 40% | 0.403 | 68% | 0.675 | S | S | . | * | S | Bend | trans | -82.3 | 116.5 | 166.5 | -71.4 | 163.2 | 0 | 0 | 0 | 107 | H253 | L249-H253 HydrophobicContact CB-CB 3.79Š|
| 250 | G | 56.6 | Low | 58.2 | Low | 54 Ų | 54 | 137 Ų | 137 | 56% | 0.557 | 68% | 0.679 | S | S | * | * | trans | -57.2 | 169.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D252 H253 | G250-D252 PolarHBondContact O-N 2.97Å; G250-H253 PolarHBondContact O-N 3.06Å | ||
| 251 | W | 53.8 | Low | 58.2 | Low | 271 Ų | 271 | 140 Ų | 140 | 100% | 1.027 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | -3.5 | -177 | -71.4 | 88 | 0 | 0 | 0 | 115.9 | ||
| 252 | D | 57.1 | Low | 58.2 | Low | 157 Ų | 157 | 140.1 Ų | 140.1 | 84% | 0.84 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -1.3 | 178.3 | -57.6 | -41.9 | 0 | 0 | 0 | 114 | G250 Q254 | G250-D252 PolarHBondContact O-N 2.97Å; D252-Q254 PolarHBondContact O-N 3.44Å |
| 253 | H | 51 | Low | 58.2 | Low | 102 Ų | 102 | 138.1 Ų | 138.1 | 47% | 0.472 | 68% | 0.684 | S | S | . | * | trans | -76.5 | 95.3 | 179.2 | -175.7 | -103.9 | 0 | 0 | 0 | 112 | L249 G250 E255 | L249-H253 HydrophobicContact CB-CB 3.79Å; G250-H253 PolarHBondContact O-N 3.06Å; H253-E255 PolarHBondContact O-N 2.87Å | ||
| 254 | Q | 58.3 | Low | 58.3 | Low | 183 Ų | 183 | 134.4 Ų | 134.4 | 86% | 0.855 | 67% | 0.673 | S | S | * | * | trans | -79.6 | 89.3 | 167.5 | -69 | -175.6 | -12.3 | 0 | 0 | 110.1 | D252 K256 | D252-Q254 PolarHBondContact O-N 3.44Å; Q254-K256 PolarHBondContact O-N 2.65Å; Q254-K256 VanDerWaalsContact O-N 3.14Å | ||
| 255 | E | 62.8 | Low | 57.9 | Low | 146 Ų | 146 | 133 Ų | 133 | 68% | 0.682 | 67% | 0.669 | S | S | * | * | trans | -65.5 | 111.1 | 167 | -168 | 173.1 | -173.6 | 0 | 0 | 108.3 | H253 L257 | H253-E255 PolarHBondContact O-N 2.87Å; E255-L257 VanDerWaalsContact C-N 3.3Å; E255-L257 PolarHBondContact O-N 3.42Å | ||
| 256 | K | 62.9 | Low | 58 | Low | 200 Ų | 200 | 136.2 Ų | 136.2 | 87% | 0.87 | 67% | 0.673 | S | S | * | * | trans | -65.4 | 95.3 | 170.8 | -76.2 | -179.6 | 179.5 | 174.7 | 0 | 107.9 | Q254 Q258 | Q254-K256 PolarHBondContact O-N 2.65Å; Q254-K256 VanDerWaalsContact O-N 3.14Å; K256-Q258 PolarHBondContact O-N 3.04Å | ||
| 257 | L | 60.8 | Low | 57.8 | Low | 145 Ų | 145 | 130 Ų | 130 | 76% | 0.759 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -46.7 | 128 | 173.6 | -73.7 | 158.8 | 0 | 0 | 0 | 109.1 | E255 L259 | E255-L257 VanDerWaalsContact C-N 3.3Å; E255-L257 PolarHBondContact O-N 3.42Å; L257-L259 PolarHBondContact O-N 2.77Å |
| 258 | Q | 64.6 | Low | 57.6 | Low | 178 Ų | 178 | 131.3 Ų | 131.3 | 83% | 0.832 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 117.2 | 174.6 | -71.1 | -175.2 | -0.4 | 0 | 0 | 108.7 | K256 H260 | K256-Q258 PolarHBondContact O-N 3.04Å; Q258-H260 PolarHBondContact O-N 3.02Å |
| 259 | L | 62.6 | Low | 57.5 | Low | 79 Ų | 79 | 130.9 Ų | 130.9 | 41% | 0.414 | 65% | 0.648 | S | S | . | * | P | Polyproline II helix | trans | -52 | 131 | 175.2 | -95.9 | 70.1 | 0 | 0 | 0 | 110.2 | L257 Q263 K264 | L257-L259 PolarHBondContact O-N 2.77Å; L259-Q263 HydrophobicContact CB-CB 4.22Å; L259-Q263 HydrophobicContact CD2-CB 3.8Å; L259-Q263 HydrophobicContact CD2-CG 3.48Å; L259-Q263 VanDerWaalsContact CD2-CG 3.48Å; L259-Q263 HydrophobicContact CG-CB 4.1Å; L259-Q263 HydrophobicContact CG-CG 4.09Å; L259-K264 HydrophobicContact CB-CG 4.11Å; L259-K264 WeakPolarHBondContact O-CE 3.38Å; L259-K264 PolarHBondContact O-NZ 3.15Å |
| 260 | H | 56.2 | Low | 57.3 | Low | 150 Ų | 150 | 137.7 Ų | 137.7 | 69% | 0.694 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 151.3 | 174.8 | -145.3 | -85.3 | 0 | 0 | 0 | 109.6 | Q258 S262 Q263 | Q258-H260 PolarHBondContact O-N 3.02Å; H260-S262 PolarHBondContact O-N 3.12Å; H260-Q263 PolarHBondContact O-N 2.87Å |
| 261 | E | 57.4 | Low | 57.2 | Low | 163 Ų | 163 | 137.7 Ų | 137.7 | 76% | 0.762 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -55.6 | -29.8 | -172.4 | -66.5 | -174.5 | 156.7 | 0 | 0 | 113.9 | Q263 K264 D265 | E261-Q263 PolarHBondContact O-N 3.08Å; E261-K264 PolarHBondContact O-N 2.99Å; E261-D265 PolarHBondContact O-N 3.33Å |
| 262 | S | 59.4 | Low | 57.3 | Low | 101 Ų | 101 | 127 Ų | 127 | 71% | 0.706 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -64.8 | -14 | 174.6 | 53.5 | 0 | 0 | 0 | 0 | 114.8 | H260 | H260-S262 PolarHBondContact O-N 3.12Å |
| 263 | Q | 59.8 | Low | 57 | Low | 101 Ų | 101 | 129.3 Ų | 129.3 | 47% | 0.472 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -108.5 | -10.2 | 179.4 | -153.3 | 171.1 | 10 | 0 | 0 | 112.9 | L259 H260 E261 Y266 | L259-Q263 HydrophobicContact CB-CB 4.22Å; L259-Q263 HydrophobicContact CD2-CB 3.8Å; L259-Q263 HydrophobicContact CD2-CG 3.48Å; L259-Q263 VanDerWaalsContact CD2-CG 3.48Å; L259-Q263 HydrophobicContact CG-CB 4.1Å; L259-Q263 HydrophobicContact CG-CG 4.09Å; H260-Q263 PolarHBondContact O-N 2.87Å; E261-Q263 PolarHBondContact O-N 3.08Å; Q263-Y266 WeakPolarHBondContact O-CE2 3.15Å |
| 264 | K | 58.8 | Low | 57.2 | Low | 130 Ų | 130 | 132.1 Ų | 132.1 | 57% | 0.565 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -91.9 | -25.9 | 174.5 | -71.9 | 174.3 | 176.7 | 156.7 | 0 | 112.4 | L259 E261 | L259-K264 HydrophobicContact CB-CG 4.11Å; L259-K264 WeakPolarHBondContact O-CE 3.38Å; L259-K264 PolarHBondContact O-NZ 3.15Å; E261-K264 PolarHBondContact O-N 2.99Å |
| 265 | D | 51.1 | Low | 57.2 | Low | 62 Ų | 62 | 125.8 Ų | 125.8 | 33% | 0.332 | 65% | 0.647 | S | S | . | * | trans | -110.6 | 75.2 | -176.2 | -156 | -2.8 | 0 | 0 | 0 | 111.6 | E261 S267 K268 | E261-D265 PolarHBondContact O-N 3.33Å; D265-S267 PolarHBondContact O-N 2.79Å; D265-S267 WeakPolarHBondContact OD1-CB 3.26Å; D265-S267 PolarHBondContact OD1-N 2.62Å; D265-S267 PolarHBondContact OD1-OG 2.89Å; D265-K268 PolarHBondContact O-N 3.08Å; D265-K268 VanDerWaalsContact O-N 3.08Å; D265-K268 WeakPolarHBondContact OD2-CD 3.18Å | ||
| 266 | Y | 54 | Low | 56.9 | Low | 189 Ų | 189 | 122.6 Ų | 122.6 | 74% | 0.741 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -4.7 | 171.7 | -68.3 | -80.1 | 0 | 0 | 0 | 113.2 | Q263 | Q263-Y266 WeakPolarHBondContact O-CE2 3.15Š|
| 267 | S | 55.6 | Low | 56.7 | Low | 71 Ų | 71 | 116.7 Ų | 116.7 | 50% | 0.497 | 61% | 0.612 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.1 | -16.3 | 174.9 | 85 | 0 | 0 | 0 | 0 | 113.8 | D265 | D265-S267 PolarHBondContact O-N 2.79Å; D265-S267 WeakPolarHBondContact OD1-CB 3.26Å; D265-S267 PolarHBondContact OD1-N 2.62Å; D265-S267 PolarHBondContact OD1-OG 2.89Å |
| 268 | K | 55.5 | Low | 56.7 | Low | 139 Ų | 139 | 114.5 Ų | 114.5 | 60% | 0.604 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -123.9 | 72 | -178.9 | -72.5 | -177.1 | -176 | 162.1 | 0 | 111 | D265 | D265-K268 PolarHBondContact O-N 3.08Å; D265-K268 VanDerWaalsContact O-N 3.08Å; D265-K268 WeakPolarHBondContact OD2-CD 3.18Å |
| 269 | G | 53 | Low | 56.6 | Low | 50 Ų | 50 | 113.2 Ų | 113.2 | 52% | 0.515 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -151.6 | 144.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | G271 | G269-G271 PolarHBondContact O-N 3.17Š|
| 270 | F | 52 | Low | 56.4 | Low | 220 Ų | 220 | 119.5 Ų | 119.5 | 97% | 0.965 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48 | 105.4 | -176.5 | -155.4 | -98.6 | 0 | 0 | 0 | 112.3 | ||
| 271 | G | 55.3 | Low | 56.4 | Low | 55 Ų | 55 | 115.8 Ų | 115.8 | 57% | 0.567 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.9 | 40.6 | 159.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | G269 | G269-G271 PolarHBondContact O-N 3.17Š|
| 272 | G | 54.3 | Low | 56.5 | Low | 47 Ų | 47 | 112.8 Ų | 112.8 | 49% | 0.485 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -102.1 | 176.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F274 G275 | G272-F274 PolarHBondContact O-N 2.85Å; G272-G275 PolarHBondContact O-N 3.22Å |
| 273 | K | 52.3 | Low | 56.7 | Low | 205 Ų | 205 | 118.7 Ų | 118.7 | 89% | 0.891 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -39.8 | -1.3 | 178.9 | 41.5 | 176.1 | 176.8 | -92.6 | 0 | 119.7 | ||
| 274 | F | 55.7 | Low | 56.8 | Low | 160 Ų | 160 | 118.9 Ų | 118.9 | 70% | 0.702 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.3 | 13.3 | 176.4 | -69.9 | -78.6 | 0 | 0 | 0 | 114.7 | G272 | G272-F274 PolarHBondContact O-N 2.85Š|
| 275 | G | 56.7 | Low | 56.8 | Low | 51 Ų | 51 | 115.1 Ų | 115.1 | 53% | 0.526 | 61% | 0.61 | S | S | . | * | trans | 86.1 | 150.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | G272 | G272-G275 PolarHBondContact O-N 3.22Š| ||
| 276 | V | 57.5 | Low | 57.3 | Low | 78 Ų | 78 | 115.4 Ų | 115.4 | 47% | 0.473 | 63% | 0.628 | S | S | . | * | trans | -71.8 | 134.4 | 176 | 178.2 | 0 | 0 | 0 | 0 | 108.3 | D278 M281 | V276-D278 PolarHBondContact O-N 3.15Å; V276-D278 VanDerWaalsContact O-N 3.11Å; V276-M281 HydrophobicContact CB-CE 3.93Å; V276-M281 HydrophobicContact CG1-CE 4.09Å; V276-M281 HydrophobicContact CG1-CG 4.43Å | ||
| 277 | Q | 58.4 | Low | 57.5 | Low | 76 Ų | 76 | 111.4 Ų | 111.4 | 36% | 0.355 | 61% | 0.614 | S | S | . | * | trans | -52.8 | 116.4 | 172.3 | -79.9 | 175.3 | -18.7 | 0 | 0 | 110.1 | D279 R280 | Q277-D279 PolarHBondContact O-N 2.69Å; Q277-D279 VanDerWaalsContact O-N 3.13Å; Q277-R280 PolarHBondContact O-N 3.49Å | ||
| 278 | D | 60.2 | Low | 57.4 | Low | 99 Ų | 99 | 116.1 Ų | 116.1 | 53% | 0.529 | 63% | 0.626 | S | S | . | * | G | 310 helix | trans | -59.2 | -24.5 | 177.8 | -74.1 | -50.3 | 0 | 0 | 0 | 111.3 | V276 R280 M281 K287 | V276-D278 PolarHBondContact O-N 3.15Å; V276-D278 VanDerWaalsContact O-N 3.11Å; D278-R280 VanDerWaalsContact C-N 3.27Å; D278-R280 PolarHBondContact O-N 3.28Å; D278-M281 PolarHBondContact O-N 3.04Å; D278-K287 IonicContact OD1-NZ 2.67Å; D278-K287 PolarHBondContact OD1-NZ 3.13Å; D278-K287 IonicContact OD2-NZ 3.4Å |
| 279 | D | 62 | Low | 57.7 | Low | 151 Ų | 151 | 117.2 Ų | 117.2 | 81% | 0.807 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -71.1 | -15.2 | -175.6 | -45 | -17.9 | 0 | 0 | 0 | 114.4 | Q277 | Q277-D279 PolarHBondContact O-N 2.69Å; Q277-D279 VanDerWaalsContact O-N 3.13Å |
| 280 | R | 59 | Low | 58 | Low | 212 Ų | 212 | 121.4 Ų | 121.4 | 80% | 0.8 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -123 | 16.4 | 177 | -63.7 | -170.2 | -158.5 | -177.4 | 6.4 | 113.3 | Q277 D278 D282 | Q277-R280 PolarHBondContact O-N 3.49Å; D278-R280 VanDerWaalsContact C-N 3.27Å; D278-R280 PolarHBondContact O-N 3.28Å; R280-D282 PolarHBondContact O-N 3.11Å |
| 281 | M | 57.3 | Low | 58.4 | Low | 71 Ų | 71 | 117.1 Ų | 117.1 | 35% | 0.35 | 63% | 0.63 | S | S | . | * | trans | -67.1 | 125.5 | 171.3 | -75.8 | -165.8 | 173.3 | 0 | 0 | 109.7 | V276 D278 | V276-M281 HydrophobicContact CB-CE 3.93Å; V276-M281 HydrophobicContact CG1-CE 4.09Å; V276-M281 HydrophobicContact CG1-CG 4.43Å; D278-M281 PolarHBondContact O-N 3.04Å | ||
| 282 | D | 59.8 | Low | 58.9 | Low | 100 Ų | 100 | 123.7 Ų | 123.7 | 54% | 0.535 | 65% | 0.646 | S | S | . | * | trans | -68.4 | 155.9 | 166.3 | 67.3 | 40 | 0 | 0 | 0 | 109.8 | R280 S284 A285 | R280-D282 PolarHBondContact O-N 3.11Å; D282-S284 VanDerWaalsContact CG-OG 3.31Å; D282-S284 PolarHBondContact O-N 3.27Å; D282-S284 WeakPolarHBondContact OD1-CA 3.22Å; D282-S284 PolarHBondContact OD1-N 3.48Å; D282-S284 VanDerWaalsContact OD1-N 3.08Å; D282-S284 PolarHBondContact OD1-OG 3.38Å; D282-A285 PolarHBondContact O-N 2.94Å; D282-A285 WeakPolarHBondContact OD1-CB 3.5Å; D282-A285 PolarHBondContact OD1-N 3.09Å | ||
| 283 | K | 63.6 | Low | 59.2 | Low | 226 Ų | 226 | 129.2 Ų | 129.2 | 98% | 0.983 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -2.8 | -176.8 | -75.2 | 174.6 | 176.5 | 173.9 | 0 | 114.1 | ||
| 284 | S | 61.6 | Low | 59.7 | Low | 104 Ų | 104 | 125.4 Ų | 125.4 | 73% | 0.727 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | -11 | -178.6 | 37.3 | 0 | 0 | 0 | 0 | 113.7 | D282 G286 | D282-S284 VanDerWaalsContact CG-OG 3.31Å; D282-S284 PolarHBondContact O-N 3.27Å; D282-S284 WeakPolarHBondContact OD1-CA 3.22Å; D282-S284 PolarHBondContact OD1-N 3.48Å; D282-S284 VanDerWaalsContact OD1-N 3.08Å; D282-S284 PolarHBondContact OD1-OG 3.38Å; S284-G286 PolarHBondContact O-N 2.87Å |
| 285 | A | 58.1 | Low | 59.7 | Low | 52 Ų | 52 | 124.2 Ų | 124.2 | 43% | 0.43 | 66% | 0.659 | S | S | . | * | trans | -90 | 73.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | D282 | D282-A285 PolarHBondContact O-N 2.94Å; D282-A285 WeakPolarHBondContact OD1-CB 3.5Å; D282-A285 PolarHBondContact OD1-N 3.09Å | ||
| 286 | G | 61.1 | Low | 59.9 | Low | 68 Ų | 68 | 127.2 Ų | 127.2 | 70% | 0.701 | 67% | 0.669 | S | S | * | * | trans | -68.5 | 147.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | S284 | S284-G286 PolarHBondContact O-N 2.87Š| ||
| 287 | K | 58.8 | Low | 59.8 | Low | 105 Ų | 105 | 129.9 Ų | 129.9 | 46% | 0.457 | 69% | 0.691 | S | S | . | * | trans | -71.5 | 144.2 | 173.9 | -67.4 | 178.7 | 179.8 | 177.6 | 0 | 109.2 | D278 E289 D290 | D278-K287 IonicContact OD1-NZ 2.67Å; D278-K287 PolarHBondContact OD1-NZ 3.13Å; D278-K287 IonicContact OD2-NZ 3.4Å; K287-E289 PolarHBondContact O-N 2.8Å; K287-D290 PolarHBondContact O-N 3.33Å; K287-D290 VanDerWaalsContact O-N 3.14Å | ||
| 288 | F | 54.3 | Low | 59.7 | Low | 170 Ų | 170 | 134.9 Ų | 134.9 | 75% | 0.746 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -56.7 | -11.7 | 178.6 | 168.4 | -103 | 0 | 0 | 0 | 114 | ||
| 289 | E | 61.1 | Low | 59.8 | Low | 162 Ų | 162 | 139.1 Ų | 139.1 | 76% | 0.757 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -81.2 | -14.7 | -179.5 | -70.8 | 157.5 | 165.8 | 0 | 0 | 113.9 | K287 | K287-E289 PolarHBondContact O-N 2.8Š|
| 290 | D | 59.7 | Low | 59.3 | Low | 138 Ų | 138 | 140.4 Ų | 140.4 | 74% | 0.738 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -92.2 | 3.5 | -177.7 | -73.5 | -30.5 | 0 | 0 | 0 | 114.6 | K287 E292 | K287-D290 PolarHBondContact O-N 3.33Å; K287-D290 VanDerWaalsContact O-N 3.14Å; D290-E292 PolarHBondContact O-N 3.16Å |
| 291 | L | 59.3 | Low | 59.2 | Low | 129 Ų | 129 | 136.2 Ų | 136.2 | 68% | 0.675 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -77.9 | 107.1 | 167.2 | -83.2 | 107.6 | 0 | 0 | 0 | 109.7 | K293 | L291-K293 PolarHBondContact O-N 2.93Š|
| 292 | E | 65.4 | Low | 59.1 | Low | 193 Ų | 193 | 142.3 Ų | 142.3 | 90% | 0.902 | 75% | 0.746 | S | S | * | * | trans | -46.7 | 105.7 | 165.9 | -90.1 | -175.5 | 149.2 | 0 | 0 | 110 | D290 P294 | D290-E292 PolarHBondContact O-N 3.16Å; E292-P294 WeakPolarHBondContact O-CD 3.08Å | ||
| 293 | K | 62.3 | Low | 58.7 | Low | 164 Ų | 164 | 142.9 Ų | 142.9 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 120.7 | 177.3 | -62.3 | 179 | -174.9 | 175.8 | 0 | 108 | L291 T295 | L291-K293 PolarHBondContact O-N 2.93Å; K293-T295 PolarHBondContact O-N 2.85Å |
| 294 | P | 61 | Low | 58.2 | Low | 124 Ų | 124 | 139 Ų | 139 | 81% | 0.805 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 133.3 | 175 | 22.8 | -30.7 | 0 | 0 | 0 | 109.8 | E292 P296 | E292-P294 WeakPolarHBondContact O-CD 3.08Å; P294-P296 WeakPolarHBondContact O-CD 3.36Å |
| 295 | T | 57 | Low | 57.6 | Low | 136 Ų | 136 | 142.2 Ų | 142.2 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 123.4 | -177.3 | 48.8 | 0 | 0 | 0 | 0 | 110.3 | K293 S297 | K293-T295 PolarHBondContact O-N 2.85Å; T295-S297 PolarHBondContact O-N 3.06Å |
| 296 | P | 60.7 | Low | 57.1 | Low | 114 Ų | 114 | 144.9 Ų | 144.9 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 127.4 | 174.2 | 28.3 | -30.9 | 0 | 0 | 0 | 110.3 | P294 Y298 | P294-P296 WeakPolarHBondContact O-CD 3.36Å; P296-Y298 PolarHBondContact O-N 2.8Å |
| 297 | S | 55.3 | Low | 56.4 | Low | 133 Ų | 133 | 145.5 Ų | 145.5 | 93% | 0.93 | 77% | 0.774 | S | S | * | * | trans | -71.5 | 39.2 | 173.9 | 176 | 0 | 0 | 0 | 0 | 113.1 | T295 | T295-S297 PolarHBondContact O-N 3.06Š| ||
| 298 | Y | 57.2 | Low | 56.1 | Low | 182 Ų | 182 | 143.9 Ų | 143.9 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | trans | -115.6 | 110.8 | -177.7 | -168.8 | -98.2 | 0 | 0 | 0 | 110.7 | P296 K300 | P296-Y298 PolarHBondContact O-N 2.8Å; Y298-K300 HydrophobicContact CD1-CB 4.38Å; Y298-K300 HydrophobicContact CE1-CB 4.39Å; Y298-K300 HydrophobicContact CE1-CG 4.42Å; Y298-K300 PolarHBondContact O-N 3.42Å | ||
| 299 | Q | 61 | Low | 56 | Low | 188 Ų | 188 | 141.1 Ų | 141.1 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | trans | -77.1 | 102 | 168.1 | -77.2 | -159.5 | -14.1 | 0 | 0 | 109.4 | T301 | Q299-T301 PolarHBondContact O-N 2.76Š| ||
| 300 | K | 51.6 | Low | 55.8 | Low | 177 Ų | 177 | 137.2 Ų | 137.2 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 123.7 | 169.7 | -152.6 | 171.1 | -172.5 | 178 | 0 | 108.4 | Y298 K302 | Y298-K300 HydrophobicContact CD1-CB 4.38Å; Y298-K300 HydrophobicContact CE1-CB 4.39Å; Y298-K300 HydrophobicContact CE1-CG 4.42Å; Y298-K300 PolarHBondContact O-N 3.42Å; K300-K302 PolarHBondContact O-N 3.47Å |
| 301 | T | 56.6 | Low | 55.6 | Low | 124 Ų | 124 | 136.3 Ų | 136.3 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -56 | 125.9 | 170.7 | 41.1 | 0 | 0 | 0 | 0 | 109 | Q299 P303 | Q299-T301 PolarHBondContact O-N 2.76Å; T301-P303 WeakPolarHBondContact O-CD 3.46Å |
| 302 | K | 56.2 | Low | 55.8 | Low | 199 Ų | 199 | 132.5 Ų | 132.5 | 87% | 0.865 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -62 | 119.5 | 175.3 | -66.1 | -177.8 | 176.3 | -175.6 | 0 | 108.3 | K300 | K300-K302 PolarHBondContact O-N 3.47Š|
| 303 | P | 51.2 | Low | 56.1 | Low | 113 Ų | 113 | 125.6 Ų | 125.6 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 134.6 | 157.9 | 15.4 | -4.2 | 0 | 0 | 0 | 107.1 | T301 E305 | T301-P303 WeakPolarHBondContact O-CD 3.46Å; P303-E305 PolarHBondContact O-N 3.27Å; P303-E305 VanDerWaalsContact O-N 3.11Å |
| 304 | V | 53.2 | Low | 56.6 | Low | 143 Ų | 143 | 121.7 Ų | 121.7 | 87% | 0.867 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 118 | 171.9 | 170.1 | 0 | 0 | 0 | 0 | 107.7 | A306 | V304-A306 PolarHBondContact O-N 2.78Š|
| 305 | E | 48.2 | Very low | 57.6 | Low | 172 Ų | 172 | 123.3 Ų | 123.3 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | trans | -61.4 | 103.6 | 173 | -67 | -169.3 | 163 | 0 | 0 | 109.1 | P303 A307 | P303-E305 PolarHBondContact O-N 3.27Å; P303-E305 VanDerWaalsContact O-N 3.11Å; E305-A307 HydrophobicContact CB-CB 4.24Å; E305-A307 PolarHBondContact O-N 2.85Å | ||
| 306 | A | 48.8 | Very low | 58.9 | Low | 108 Ų | 108 | 119.1 Ų | 119.1 | 89% | 0.893 | 70% | 0.704 | S | S | * | * | trans | -83.6 | 64.7 | 149.4 | 0 | 0 | 0 | 0 | 0 | 108 | V304 | V304-A306 PolarHBondContact O-N 2.78Š| ||
| 307 | A | 46.3 | Very low | 60 | Low | 81 Ų | 81 | 121.3 Ų | 121.3 | 67% | 0.669 | 70% | 0.697 | S | S | * | * | trans | -99.7 | 136.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | E305 | E305-A307 HydrophobicContact CB-CB 4.24Å; E305-A307 PolarHBondContact O-N 2.85Å | ||
| 308 | G | 51.5 | Low | 61.4 | Low | 71 Ų | 71 | 121.6 Ų | 121.6 | 73% | 0.732 | 68% | 0.682 | S | S | * | * | cis | 175.5 | 65.2 | 7.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 309 | S | 53.2 | Low | 62.9 | Low | 113 Ų | 113 | 117.8 Ų | 117.8 | 79% | 0.79 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -104.6 | -7.5 | -173.9 | -162.1 | 0 | 0 | 0 | 0 | 114.9 | ||
| 310 | S | 55.4 | Low | 64.2 | Low | 79 Ų | 79 | 113.3 Ų | 113.3 | 55% | 0.552 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -88.4 | -33.3 | -169.1 | 165.6 | 0 | 0 | 0 | 0 | 114.5 | G312 S313 I314 | S310-G312 PolarHBondContact O-N 2.92Å; S310-S313 PolarHBondContact O-N 3.19Å; S310-I314 WeakPolarHBondContact O-CG1 3.49Å; S310-I314 PolarHBondContact O-N 3.29Å |
| 311 | T | 57.4 | Low | 66 | Low | 119 Ų | 119 | 109.7 Ų | 109.7 | 73% | 0.73 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -76 | -29.7 | -170 | 56.8 | 0 | 0 | 0 | 0 | 113.7 | ||
| 312 | G | 63.2 | Low | 67.5 | Low | 50 Ų | 50 | 106.6 Ų | 106.6 | 52% | 0.515 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -73.7 | -35.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S310 A316 | S310-G312 PolarHBondContact O-N 2.92Å; G312-A316 WeakPolarHBondContact O-CB 3.44Å; G312-A316 PolarHBondContact O-N 3.21Å; G312-A316 VanDerWaalsContact O-N 3.11Å |
| 313 | S | 70.3 | Confident | 69.3 | Low | 48 Ų | 48 | 102.3 Ų | 102.3 | 34% | 0.336 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68 | -37.3 | -179.6 | -170.7 | 0 | 0 | 0 | 0 | 111.9 | S310 R317 | S310-S313 PolarHBondContact O-N 3.19Å; S313-R317 WeakPolarHBondContact O-CG 3.27Å; S313-R317 PolarHBondContact O-N 2.78Å; S313-R317 VanDerWaalsContact O-N 3.1Å; S313-R317 PolarHBondContact OG-NE 2.96Å; S313-R317 PolarHBondContact OG-NH2 2.84Å |
| 314 | I | 74.3 | Confident | 71.2 | Confident | 82 Ų | 82 | 103.2 Ų | 103.2 | 42% | 0.421 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -71 | -43.5 | -179.9 | -65.5 | 167.7 | 0 | 0 | 0 | 110.7 | S310 A316 R317 F318 | S310-I314 WeakPolarHBondContact O-CG1 3.49Å; S310-I314 PolarHBondContact O-N 3.29Å; I314-A316 PolarHBondContact O-N 2.68Å; I314-R317 PolarHBondContact O-N 3.48Å; I314-F318 HydrophobicContact CG2-CD2 3.67Å; I314-F318 HydrophobicContact CG2-CE2 3.42Å; I314-F318 VanDerWaalsContact CG2-CE2 3.42Å; I314-F318 WeakPolarHBondContact O-CD2 2.87Å; I314-F318 PolarHBondContact O-N 3.11Å |
| 315 | K | 81.1 | Confident | 73.1 | Confident | 158 Ų | 158 | 103 Ų | 103 | 69% | 0.687 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -63.4 | -39.9 | 177.1 | -170.2 | 171.3 | -179.2 | 175.1 | 0 | 112.6 | R317 F318 E319 | K315-R317 VanDerWaalsContact C-N 3.35Å; K315-F318 PolarHBondContact O-N 3.38Å; K315-E319 WeakPolarHBondContact O-CB 3.44Å; K315-E319 PolarHBondContact O-N 2.84Å |
| 316 | A | 83.6 | Confident | 75.2 | Confident | 47 Ų | 47 | 101.1 Ų | 101.1 | 39% | 0.388 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.4 | -36.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | G312 I314 E319 N320 | G312-A316 WeakPolarHBondContact O-CB 3.44Å; G312-A316 PolarHBondContact O-N 3.21Å; G312-A316 VanDerWaalsContact O-N 3.11Å; I314-A316 PolarHBondContact O-N 2.68Å; A316-E319 PolarHBondContact O-N 3.41Å; A316-N320 WeakPolarHBondContact O-CB 3.35Å; A316-N320 VanDerWaalsContact O-CG 3.32Å; A316-N320 PolarHBondContact O-N 3.1Å |
| 317 | R | 83.9 | Confident | 77.2 | Confident | 160 Ų | 160 | 101.4 Ų | 101.4 | 60% | 0.604 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.3 | -44.9 | 174.3 | -71.2 | 170.4 | -157.2 | -130.9 | 5.8 | 111.6 | S313 I314 K315 E319 N320 I321 | S313-R317 WeakPolarHBondContact O-CG 3.27Å; S313-R317 PolarHBondContact O-N 2.78Å; S313-R317 VanDerWaalsContact O-N 3.1Å; S313-R317 PolarHBondContact OG-NE 2.96Å; S313-R317 PolarHBondContact OG-NH2 2.84Å; I314-R317 PolarHBondContact O-N 3.48Å; K315-R317 VanDerWaalsContact C-N 3.35Å; R317-E319 VanDerWaalsContact C-N 3.35Å; R317-E319 PolarHBondContact O-N 2.88Å; R317-N320 PolarHBondContact O-N 2.96Å; R317-I321 VanDerWaalsContact O-CG1 3.28Å; R317-I321 WeakPolarHBondContact O-CG1 3.29Å; R317-I321 PolarHBondContact O-N 3.34Å |
| 318 | F | 85.9 | Confident | 79.4 | Confident | 140 Ų | 140 | 102.4 Ų | 102.4 | 61% | 0.614 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.7 | -39.3 | 176.7 | -80.4 | -67.4 | 0 | 0 | 0 | 112.9 | I314 K315 N320 I321 A322 | I314-F318 HydrophobicContact CG2-CD2 3.67Å; I314-F318 HydrophobicContact CG2-CE2 3.42Å; I314-F318 VanDerWaalsContact CG2-CE2 3.42Å; I314-F318 WeakPolarHBondContact O-CD2 2.87Å; I314-F318 PolarHBondContact O-N 3.11Å; K315-F318 PolarHBondContact O-N 3.38Å; F318-N320 VanDerWaalsContact C-N 3.35Å; F318-I321 PolarHBondContact O-N 3.3Å; F318-A322 WeakPolarHBondContact O-CB 3.31Å; F318-A322 PolarHBondContact O-N 2.98Å |
| 319 | E | 87.8 | Confident | 81.4 | Confident | 101 Ų | 101 | 103.3 Ų | 103.3 | 47% | 0.472 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.5 | -37.5 | 176.6 | -163.5 | -177.2 | 148.8 | 0 | 0 | 112 | K315 A316 R317 A322 K323 | K315-E319 WeakPolarHBondContact O-CB 3.44Å; K315-E319 PolarHBondContact O-N 2.84Å; A316-E319 PolarHBondContact O-N 3.41Å; R317-E319 VanDerWaalsContact C-N 3.35Å; R317-E319 PolarHBondContact O-N 2.88Å; E319-A322 PolarHBondContact O-N 2.81Å; E319-K323 WeakPolarHBondContact O-CG 3.35Å; E319-K323 PolarHBondContact O-N 2.64Å; E319-K323 WeakPolarHBondContact OE1-CE 3.35Å; E319-K323 IonicContact OE1-NZ 3.13Å; E319-K323 PolarHBondContact OE1-NZ 3.45Å |
| 320 | N | 87.9 | Confident | 83.3 | Confident | 95 Ų | 95 | 103.8 Ų | 103.8 | 51% | 0.508 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.2 | -39.8 | 175.2 | -75.3 | -12.8 | 0 | 0 | 0 | 112.4 | A316 R317 F318 A322 K323 Q324 | A316-N320 WeakPolarHBondContact O-CB 3.35Å; A316-N320 VanDerWaalsContact O-CG 3.32Å; A316-N320 PolarHBondContact O-N 3.1Å; R317-N320 PolarHBondContact O-N 2.96Å; F318-N320 VanDerWaalsContact C-N 3.35Å; N320-A322 VanDerWaalsContact C-N 3.34Å; N320-K323 PolarHBondContact O-N 3.16Å; N320-Q324 WeakPolarHBondContact O-CB 3.34Å; N320-Q324 WeakPolarHBondContact O-CG 3.45Å; N320-Q324 PolarHBondContact O-N 3.32Å |
| 321 | I | 89.8 | Confident | 85.3 | Confident | 100 Ų | 100 | 107.5 Ų | 107.5 | 51% | 0.513 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.2 | -41.5 | 175.6 | -69.1 | 165.8 | 0 | 0 | 0 | 110.5 | R317 F318 Q324 K325 | R317-I321 VanDerWaalsContact O-CG1 3.28Å; R317-I321 WeakPolarHBondContact O-CG1 3.29Å; R317-I321 PolarHBondContact O-N 3.34Å; F318-I321 PolarHBondContact O-N 3.3Å; I321-Q324 PolarHBondContact O-N 2.99Å; I321-K325 WeakPolarHBondContact O-CB 3.23Å; I321-K325 PolarHBondContact O-N 3.31Å |
| 322 | A | 88.6 | Confident | 87.1 | Confident | 59 Ų | 59 | 110 Ų | 110 | 49% | 0.488 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F318 E319 N320 K325 E326 | F318-A322 WeakPolarHBondContact O-CB 3.31Å; F318-A322 PolarHBondContact O-N 2.98Å; E319-A322 PolarHBondContact O-N 2.81Å; N320-A322 VanDerWaalsContact C-N 3.34Å; A322-K325 PolarHBondContact O-N 2.96Å; A322-E326 PolarHBondContact O-N 2.94Å |
| 323 | K | 93.3 | Very high | 88.5 | Confident | 109 Ų | 109 | 109.3 Ų | 109.3 | 47% | 0.474 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.3 | -40.5 | 176.3 | -75.5 | 175.5 | -174.5 | 164 | 0 | 112.6 | E319 N320 E326 E327 | E319-K323 WeakPolarHBondContact O-CG 3.35Å; E319-K323 PolarHBondContact O-N 2.64Å; E319-K323 WeakPolarHBondContact OE1-CE 3.35Å; E319-K323 IonicContact OE1-NZ 3.13Å; E319-K323 PolarHBondContact OE1-NZ 3.45Å; N320-K323 PolarHBondContact O-N 3.16Å; K323-E326 PolarHBondContact O-N 3.06Å; K323-E327 WeakPolarHBondContact O-CB 3.49Å; K323-E327 PolarHBondContact O-N 3.33Å |
| 324 | Q | 91.6 | Very high | 89.7 | Confident | 133 Ų | 133 | 112.2 Ų | 112.2 | 62% | 0.621 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.7 | -41.2 | 175.7 | -78 | -179.3 | -16.9 | 0 | 0 | 111.8 | N320 I321 E327 E328 | N320-Q324 WeakPolarHBondContact O-CB 3.34Å; N320-Q324 WeakPolarHBondContact O-CG 3.45Å; N320-Q324 PolarHBondContact O-N 3.32Å; I321-Q324 PolarHBondContact O-N 2.99Å; Q324-E327 PolarHBondContact O-N 3.2Å; Q324-E328 WeakPolarHBondContact O-CB 3.32Å; Q324-E328 PolarHBondContact O-N 3.47Å |
| 325 | K | 92.2 | Very high | 90.7 | Very high | 139 Ų | 139 | 114.7 Ų | 114.7 | 60% | 0.604 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.8 | -44 | 177.3 | -168.6 | 173.9 | -178.4 | 176 | 0 | 112.1 | I321 A322 E327 E328 D329 | I321-K325 WeakPolarHBondContact O-CB 3.23Å; I321-K325 PolarHBondContact O-N 3.31Å; A322-K325 PolarHBondContact O-N 2.96Å; K325-E327 VanDerWaalsContact C-N 3.31Å; K325-E327 PolarHBondContact O-N 3.29Å; K325-E328 PolarHBondContact O-N 3.23Å; K325-D329 WeakPolarHBondContact O-CB 3.28Å; K325-D329 PolarHBondContact O-N 2.99Å |
| 326 | E | 92.3 | Very high | 91.3 | Very high | 131 Ų | 131 | 111.9 Ų | 111.9 | 61% | 0.612 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.4 | -38.9 | 175.9 | -172.9 | -177.8 | 174.8 | 0 | 0 | 112.1 | A322 K323 R330 | A322-E326 PolarHBondContact O-N 2.94Å; K323-E326 PolarHBondContact O-N 3.06Å; E326-R330 VanDerWaalsContact O-CB 3.31Å; E326-R330 WeakPolarHBondContact O-CB 3.46Å; E326-R330 PolarHBondContact O-N 2.95Å |
| 327 | E | 92.5 | Very high | 91.8 | Very high | 114 Ų | 114 | 118 Ų | 118 | 53% | 0.533 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70.5 | -37.7 | 177.6 | -176.9 | 153.8 | -131.4 | 0 | 0 | 112.7 | K323 Q324 K325 R330 R331 | K323-E327 WeakPolarHBondContact O-CB 3.49Å; K323-E327 PolarHBondContact O-N 3.33Å; Q324-E327 PolarHBondContact O-N 3.2Å; K325-E327 VanDerWaalsContact C-N 3.31Å; K325-E327 PolarHBondContact O-N 3.29Å; E327-R330 PolarHBondContact O-N 3.41Å; E327-R330 IonicContact OE1-NH2 2.64Å; E327-R330 PolarHBondContact OE1-NH2 3.01Å; E327-R330 VanDerWaalsContact OE1-NH2 3.13Å; E327-R331 WeakPolarHBondContact O-CB 3.32Å; E327-R331 PolarHBondContact O-N 2.95Å |
| 328 | E | 92.1 | Very high | 92.5 | Very high | 103 Ų | 103 | 113.2 Ų | 113.2 | 48% | 0.481 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.3 | -42.9 | 174.1 | -172.6 | 174.7 | -173.2 | 0 | 0 | 111.9 | Q324 K325 R330 R331 R332 | Q324-E328 WeakPolarHBondContact O-CB 3.32Å; Q324-E328 PolarHBondContact O-N 3.47Å; K325-E328 PolarHBondContact O-N 3.23Å; E328-R330 VanDerWaalsContact C-N 3.35Å; E328-R331 PolarHBondContact O-N 3.5Å; E328-R332 WeakPolarHBondContact O-CB 3.28Å; E328-R332 PolarHBondContact O-N 3.39Å |
| 329 | D | 92.4 | Very high | 93 | Very high | 89 Ų | 89 | 116.1 Ų | 116.1 | 48% | 0.476 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 176.3 | -74.4 | -25.2 | 0 | 0 | 0 | 111.2 | K325 R332 A333 | K325-D329 WeakPolarHBondContact O-CB 3.28Å; K325-D329 PolarHBondContact O-N 2.99Å; D329-R332 PolarHBondContact O-N 3.22Å; D329-A333 WeakPolarHBondContact O-CB 3.11Å; D329-A333 PolarHBondContact O-N 3.23Å |
| 330 | R | 94.6 | Very high | 93.3 | Very high | 124 Ų | 124 | 119.2 Ų | 119.2 | 47% | 0.468 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 173 | -178.5 | 173.5 | 64 | -147.5 | 0.3 | 111.5 | E326 E327 E328 A333 E334 | E326-R330 VanDerWaalsContact O-CB 3.31Å; E326-R330 WeakPolarHBondContact O-CB 3.46Å; E326-R330 PolarHBondContact O-N 2.95Å; E327-R330 PolarHBondContact O-N 3.41Å; E327-R330 IonicContact OE1-NH2 2.64Å; E327-R330 PolarHBondContact OE1-NH2 3.01Å; E327-R330 VanDerWaalsContact OE1-NH2 3.13Å; E328-R330 VanDerWaalsContact C-N 3.35Å; R330-A333 PolarHBondContact O-N 3.11Å; R330-E334 WeakPolarHBondContact O-CB 3.46Å; R330-E334 WeakPolarHBondContact O-CG 3.27Å; R330-E334 PolarHBondContact O-N 3.44Å |
| 331 | R | 96.1 | Very high | 93.7 | Very high | 156 Ų | 156 | 119.8 Ų | 119.8 | 59% | 0.589 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63 | -43.6 | 178.2 | -171.8 | -176.9 | 70.4 | -165.7 | -3 | 111.5 | E327 E328 A333 E334 E335 | E327-R331 WeakPolarHBondContact O-CB 3.32Å; E327-R331 PolarHBondContact O-N 2.95Å; E328-R331 PolarHBondContact O-N 3.5Å; R331-A333 VanDerWaalsContact C-N 3.35Å; R331-A333 PolarHBondContact O-N 3.39Å; R331-E334 PolarHBondContact O-N 3.49Å; R331-E335 WeakPolarHBondContact O-CB 3.38Å; R331-E335 PolarHBondContact O-N 2.89Å |
| 332 | R | 95.4 | Very high | 94 | Very high | 171 Ų | 171 | 117.1 Ų | 117.1 | 65% | 0.645 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.7 | -41.6 | 176.6 | 180 | -179.8 | -91.6 | -167.8 | -2.9 | 111.4 | E328 D329 E335 E336 | E328-R332 WeakPolarHBondContact O-CB 3.28Å; E328-R332 PolarHBondContact O-N 3.39Å; D329-R332 PolarHBondContact O-N 3.22Å; R332-E335 PolarHBondContact O-N 3.45Å; R332-E336 WeakPolarHBondContact O-CB 3.46Å; R332-E336 PolarHBondContact O-N 2.93Å |
| 333 | A | 93.9 | Very high | 94.4 | Very high | 37 Ų | 37 | 121.3 Ų | 121.3 | 31% | 0.306 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.5 | -38.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D329 R330 R331 R337 | D329-A333 WeakPolarHBondContact O-CB 3.11Å; D329-A333 PolarHBondContact O-N 3.23Å; R330-A333 PolarHBondContact O-N 3.11Å; R331-A333 VanDerWaalsContact C-N 3.35Å; R331-A333 PolarHBondContact O-N 3.39Å; A333-R337 VanDerWaalsContact O-CG 3.27Å; A333-R337 WeakPolarHBondContact O-CG 3.3Å; A333-R337 PolarHBondContact O-N 3.28Å |
| 334 | E | 94.8 | Very high | 94.5 | Very high | 108 Ų | 108 | 122.3 Ų | 122.3 | 51% | 0.505 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68 | -41.6 | 175.2 | -77.1 | 177.6 | -173.4 | 0 | 0 | 112.2 | R330 R331 E336 R337 A338 | R330-E334 WeakPolarHBondContact O-CB 3.46Å; R330-E334 WeakPolarHBondContact O-CG 3.27Å; R330-E334 PolarHBondContact O-N 3.44Å; R331-E334 PolarHBondContact O-N 3.49Å; E334-E336 VanDerWaalsContact C-N 3.35Å; E334-E336 PolarHBondContact O-N 3.39Å; E334-R337 PolarHBondContact O-N 3.47Å; E334-A338 VanDerWaalsContact O-CB 3.31Å; E334-A338 WeakPolarHBondContact O-CB 3.27Å; E334-A338 PolarHBondContact O-N 2.97Å |
| 335 | E | 94.7 | Very high | 94.7 | Very high | 134 Ų | 134 | 120.9 Ų | 120.9 | 63% | 0.626 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.5 | -40.7 | 175.5 | -172.4 | 176.7 | -178 | 0 | 0 | 111.5 | R331 R332 A338 R339 | R331-E335 WeakPolarHBondContact O-CB 3.38Å; R331-E335 PolarHBondContact O-N 2.89Å; R332-E335 PolarHBondContact O-N 3.45Å; E335-A338 PolarHBondContact O-N 2.96Å; E335-R339 WeakPolarHBondContact O-CB 3.33Å; E335-R339 PolarHBondContact O-N 2.97Å |
| 336 | E | 94 | Very high | 94.8 | Very high | 99 Ų | 99 | 120.8 Ų | 120.8 | 46% | 0.463 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65 | -42.2 | 175.1 | -164.2 | -169.3 | 162.6 | 0 | 0 | 111.7 | R332 E334 R339 R340 | R332-E336 WeakPolarHBondContact O-CB 3.46Å; R332-E336 PolarHBondContact O-N 2.93Å; E334-E336 VanDerWaalsContact C-N 3.35Å; E334-E336 PolarHBondContact O-N 3.39Å; E336-R339 PolarHBondContact O-N 3.46Å; E336-R340 WeakPolarHBondContact O-CG 3.47Å; E336-R340 PolarHBondContact O-N 3.33Å; E336-R340 IonicContact OE1-CZ 3.89Å; E336-R340 IonicContact OE1-NE 3.42Å; E336-R340 PolarHBondContact OE1-NE 3.33Å; E336-R340 IonicContact OE1-NH2 2.96Å; E336-R340 PolarHBondContact OE1-NH2 2.98Å |
| 337 | R | 95 | Very high | 94.8 | Very high | 176 Ų | 176 | 120.8 Ų | 120.8 | 66% | 0.664 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.9 | -43.5 | 174.2 | -73.3 | 175.1 | -166.7 | 167.9 | 5.7 | 111.6 | A333 E334 R339 R340 H341 | A333-R337 VanDerWaalsContact O-CG 3.27Å; A333-R337 WeakPolarHBondContact O-CG 3.3Å; A333-R337 PolarHBondContact O-N 3.28Å; E334-R337 PolarHBondContact O-N 3.47Å; R337-R339 VanDerWaalsContact C-N 3.32Å; R337-R339 PolarHBondContact O-N 2.98Å; R337-R340 PolarHBondContact O-N 3.43Å; R337-H341 WeakPolarHBondContact O-CB 3.33Å; R337-H341 PolarHBondContact O-N 3.4Å |
| 338 | A | 96.9 | Very high | 94.9 | Very high | 59 Ų | 59 | 122.1 Ų | 122.1 | 49% | 0.488 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.6 | -40.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | E334 E335 H341 A342 | E334-A338 VanDerWaalsContact O-CB 3.31Å; E334-A338 WeakPolarHBondContact O-CB 3.27Å; E334-A338 PolarHBondContact O-N 2.97Å; E335-A338 PolarHBondContact O-N 2.96Å; A338-H341 PolarHBondContact O-N 3.36Å; A338-A342 VanDerWaalsContact O-CB 3.25Å; A338-A342 WeakPolarHBondContact O-CB 3.28Å; A338-A342 PolarHBondContact O-N 3.5Å |
| 339 | R | 96.5 | Very high | 94.9 | Very high | 201 Ų | 201 | 123.8 Ų | 123.8 | 76% | 0.758 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.7 | -42.1 | 175.9 | -172.8 | 178.8 | 178.5 | -167.8 | 0.4 | 112.1 | E335 E336 R337 K343 | E335-R339 WeakPolarHBondContact O-CB 3.33Å; E335-R339 PolarHBondContact O-N 2.97Å; E336-R339 PolarHBondContact O-N 3.46Å; R337-R339 VanDerWaalsContact C-N 3.32Å; R337-R339 PolarHBondContact O-N 2.98Å; R339-K343 WeakPolarHBondContact O-CB 3.36Å; R339-K343 PolarHBondContact O-N 3.02Å |
| 340 | R | 95.6 | Very high | 94.8 | Very high | 166 Ų | 166 | 125.9 Ų | 125.9 | 63% | 0.626 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.1 | -46.4 | 174.7 | -71.2 | -175.6 | -167 | -179 | 3.5 | 111.1 | E336 R337 K343 E344 | E336-R340 WeakPolarHBondContact O-CG 3.47Å; E336-R340 PolarHBondContact O-N 3.33Å; E336-R340 IonicContact OE1-CZ 3.89Å; E336-R340 IonicContact OE1-NE 3.42Å; E336-R340 PolarHBondContact OE1-NE 3.33Å; E336-R340 IonicContact OE1-NH2 2.96Å; E336-R340 PolarHBondContact OE1-NH2 2.98Å; R337-R340 PolarHBondContact O-N 3.43Å; R340-K343 PolarHBondContact O-N 3.29Å; R340-E344 PolarHBondContact O-N 3.2Å |
| 341 | H | 96.3 | Very high | 94.5 | Very high | 108 Ų | 108 | 122.4 Ų | 122.4 | 50% | 0.5 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.2 | -41 | 179.4 | -171.9 | -110.5 | 0 | 0 | 0 | 112.4 | R337 A338 K343 E344 Q345 | R337-H341 WeakPolarHBondContact O-CB 3.33Å; R337-H341 PolarHBondContact O-N 3.4Å; A338-H341 PolarHBondContact O-N 3.36Å; H341-K343 VanDerWaalsContact C-N 3.34Å; H341-K343 PolarHBondContact O-N 3.1Å; H341-E344 PolarHBondContact O-N 2.98Å; H341-Q345 PolarHBondContact CE1-NE2 2.67Å; H341-Q345 PolarHBondContact ND1-NE2 2.9Å; H341-Q345 WeakPolarHBondContact O-CG 3.42Å; H341-Q345 PolarHBondContact O-N 3.01Å |
| 342 | A | 96.1 | Very high | 94.3 | Very high | 44 Ų | 44 | 123 Ų | 123 | 36% | 0.364 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.9 | -39.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | A338 Q345 Q346 | A338-A342 VanDerWaalsContact O-CB 3.25Å; A338-A342 WeakPolarHBondContact O-CB 3.28Å; A338-A342 PolarHBondContact O-N 3.5Å; A342-Q345 PolarHBondContact O-N 2.93Å; A342-Q346 WeakPolarHBondContact O-CG 3.4Å; A342-Q346 PolarHBondContact O-N 3.42Å |
| 343 | K | 95.8 | Very high | 94.1 | Very high | 147 Ų | 147 | 123.1 Ų | 123.1 | 64% | 0.639 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.3 | -44 | 175.3 | -171.8 | -179.9 | 178.4 | -174.2 | 0 | 111.6 | R339 R340 H341 Q345 Q346 E347 | R339-K343 WeakPolarHBondContact O-CB 3.36Å; R339-K343 PolarHBondContact O-N 3.02Å; R340-K343 PolarHBondContact O-N 3.29Å; H341-K343 VanDerWaalsContact C-N 3.34Å; H341-K343 PolarHBondContact O-N 3.1Å; K343-Q345 VanDerWaalsContact C-N 3.34Å; K343-Q345 PolarHBondContact O-N 3.23Å; K343-Q346 PolarHBondContact O-N 2.74Å; K343-E347 WeakPolarHBondContact O-CB 3.17Å; K343-E347 PolarHBondContact O-N 2.82Å |
| 344 | E | 95 | Very high | 93.7 | Very high | 129 Ų | 129 | 128.8 Ų | 128.8 | 60% | 0.603 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -62.7 | -40.2 | 176.4 | -172.3 | 174.3 | -174.2 | 0 | 0 | 111.6 | R340 H341 E347 Q348 | R340-E344 PolarHBondContact O-N 3.2Å; H341-E344 PolarHBondContact O-N 2.98Å; E344-E347 PolarHBondContact O-N 3.32Å; E344-Q348 WeakPolarHBondContact O-CB 3.48Å; E344-Q348 PolarHBondContact O-N 3.47Å |
| 345 | Q | 96.3 | Very high | 93.1 | Very high | 104 Ų | 104 | 129.9 Ų | 129.9 | 49% | 0.486 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -63.4 | -44.6 | 174.1 | -76.2 | -173.6 | 6.9 | 0 | 0 | 112.8 | H341 A342 K343 E347 Q348 E349 | H341-Q345 PolarHBondContact CE1-NE2 2.67Å; H341-Q345 PolarHBondContact ND1-NE2 2.9Å; H341-Q345 WeakPolarHBondContact O-CG 3.42Å; H341-Q345 PolarHBondContact O-N 3.01Å; A342-Q345 PolarHBondContact O-N 2.93Å; K343-Q345 VanDerWaalsContact C-N 3.34Å; K343-Q345 PolarHBondContact O-N 3.23Å; Q345-E347 VanDerWaalsContact C-N 3.34Å; Q345-E347 PolarHBondContact O-N 2.95Å; Q345-Q348 PolarHBondContact O-N 3.45Å; Q345-E349 WeakPolarHBondContact O-CB 3.25Å; Q345-E349 PolarHBondContact O-N 3.34Å |
| 346 | Q | 94.6 | Very high | 92.2 | Very high | 137 Ų | 137 | 129.9 Ų | 129.9 | 64% | 0.64 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.5 | -41.9 | 176.8 | -76.3 | -179.9 | 1.4 | 0 | 0 | 111.7 | A342 K343 E349 E350 | A342-Q346 WeakPolarHBondContact O-CG 3.4Å; A342-Q346 PolarHBondContact O-N 3.42Å; K343-Q346 PolarHBondContact O-N 2.74Å; Q346-E349 PolarHBondContact O-N 3.49Å; Q346-E350 WeakPolarHBondContact O-CB 3.29Å; Q346-E350 PolarHBondContact O-N 2.95Å |
| 347 | E | 93.2 | Very high | 91.2 | Very high | 131 Ų | 131 | 133.1 Ų | 133.1 | 61% | 0.612 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.9 | -40.5 | 176.7 | -174.1 | 172.7 | 176.2 | 0 | 0 | 111.5 | K343 E344 Q345 E350 A351 | K343-E347 WeakPolarHBondContact O-CB 3.17Å; K343-E347 PolarHBondContact O-N 2.82Å; E344-E347 PolarHBondContact O-N 3.32Å; Q345-E347 VanDerWaalsContact C-N 3.34Å; Q345-E347 PolarHBondContact O-N 2.95Å; E347-E350 PolarHBondContact O-N 3.26Å; E347-A351 VanDerWaalsContact O-CB 3.27Å; E347-A351 WeakPolarHBondContact O-CB 3.4Å; E347-A351 PolarHBondContact O-N 2.95Å |
| 348 | Q | 93.3 | Very high | 89.9 | Confident | 141 Ų | 141 | 129.6 Ų | 129.6 | 66% | 0.659 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -66.4 | -40.1 | 176.5 | -169.9 | 166.3 | 40.9 | 0 | 0 | 112.2 | E344 Q345 R352 | E344-Q348 WeakPolarHBondContact O-CB 3.48Å; E344-Q348 PolarHBondContact O-N 3.47Å; Q345-Q348 PolarHBondContact O-N 3.45Å; Q348-R352 WeakPolarHBondContact O-CB 3.45Å; Q348-R352 PolarHBondContact O-N 3.39Å |
| 349 | E | 92.1 | Very high | 88 | Confident | 139 Ų | 139 | 133 Ų | 133 | 65% | 0.65 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.3 | -41.5 | 174.9 | -170.5 | 177.6 | 178.3 | 0 | 0 | 111.5 | Q345 Q346 R352 R353 | Q345-E349 WeakPolarHBondContact O-CB 3.25Å; Q345-E349 PolarHBondContact O-N 3.34Å; Q346-E349 PolarHBondContact O-N 3.49Å; E349-R352 PolarHBondContact O-N 2.83Å; E349-R353 VanDerWaalsContact O-CB 3.31Å; E349-R353 WeakPolarHBondContact O-CB 3.47Å; E349-R353 PolarHBondContact O-N 2.99Å |
| 350 | E | 89.9 | Confident | 86.2 | Confident | 132 Ų | 132 | 128.7 Ų | 128.7 | 62% | 0.617 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.1 | -43 | 175.4 | -170.6 | 179.5 | 173.3 | 0 | 0 | 111.4 | Q346 E347 R352 R353 K354 | Q346-E350 WeakPolarHBondContact O-CB 3.29Å; Q346-E350 PolarHBondContact O-N 2.95Å; E347-E350 PolarHBondContact O-N 3.26Å; E350-R352 VanDerWaalsContact C-N 3.35Å; E350-R352 PolarHBondContact O-N 3.48Å; E350-R353 PolarHBondContact O-N 2.91Å; E350-K354 VanDerWaalsContact O-CB 3.3Å; E350-K354 WeakPolarHBondContact O-CB 3.4Å; E350-K354 PolarHBondContact O-N 3.25Å |
| 351 | A | 89.9 | Confident | 84.1 | Confident | 52 Ų | 52 | 126.8 Ų | 126.8 | 43% | 0.43 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -59.8 | -45.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | E347 R353 K354 V355 | E347-A351 VanDerWaalsContact O-CB 3.27Å; E347-A351 WeakPolarHBondContact O-CB 3.4Å; E347-A351 PolarHBondContact O-N 2.95Å; A351-R353 PolarHBondContact O-N 2.88Å; A351-K354 PolarHBondContact O-N 2.93Å; A351-V355 WeakPolarHBondContact O-CG2 3.49Å; A351-V355 PolarHBondContact O-N 3.23Å; A351-V355 VanDerWaalsContact O-N 3.07Å |
| 352 | R | 91.1 | Very high | 81.6 | Confident | 168 Ų | 168 | 126.5 Ų | 126.5 | 63% | 0.634 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -60.7 | -45.5 | 175.7 | -169.1 | -178.9 | 178.1 | -69.4 | -5.4 | 111.4 | Q348 E349 E350 K354 V355 E356 | Q348-R352 WeakPolarHBondContact O-CB 3.45Å; Q348-R352 PolarHBondContact O-N 3.39Å; E349-R352 PolarHBondContact O-N 2.83Å; E350-R352 VanDerWaalsContact C-N 3.35Å; E350-R352 PolarHBondContact O-N 3.48Å; R352-K354 VanDerWaalsContact C-N 3.32Å; R352-K354 PolarHBondContact O-N 3.28Å; R352-V355 PolarHBondContact O-N 3.4Å; R352-E356 IonicContact CZ-OE2 3.77Å; R352-E356 IonicContact NH1-OE2 2.88Å; R352-E356 PolarHBondContact NH1-OE2 3.49Å; R352-E356 PolarHBondContact O-N 2.95Å |
| 353 | R | 90.7 | Very high | 79.1 | Confident | 173 Ų | 173 | 133.9 Ų | 133.9 | 65% | 0.653 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -66 | -31.5 | 178.2 | -173.7 | 177 | 175.1 | -135.3 | 2.1 | 112.9 | E349 E350 A351 R357 | E349-R353 VanDerWaalsContact O-CB 3.31Å; E349-R353 WeakPolarHBondContact O-CB 3.47Å; E349-R353 PolarHBondContact O-N 2.99Å; E350-R353 PolarHBondContact O-N 2.91Å; A351-R353 PolarHBondContact O-N 2.88Å; R353-R357 PolarHBondContact O-N 2.95Å |
| 354 | K | 85.4 | Confident | 76.3 | Confident | 157 Ų | 157 | 131.4 Ų | 131.4 | 68% | 0.683 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -73.8 | -33.6 | 177.1 | -162.4 | 170.8 | -175.7 | 178.4 | 0 | 111.9 | E350 A351 R352 | E350-K354 VanDerWaalsContact O-CB 3.3Å; E350-K354 WeakPolarHBondContact O-CB 3.4Å; E350-K354 PolarHBondContact O-N 3.25Å; A351-K354 PolarHBondContact O-N 2.93Å; R352-K354 VanDerWaalsContact C-N 3.32Å; R352-K354 PolarHBondContact O-N 3.28Å |
| 355 | V | 81.9 | Confident | 73.6 | Confident | 131 Ų | 131 | 132 Ų | 132 | 79% | 0.794 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -71.3 | -35.2 | 172 | 173.9 | 0 | 0 | 0 | 0 | 111.7 | A351 R352 R357 | A351-V355 WeakPolarHBondContact O-CG2 3.49Å; A351-V355 PolarHBondContact O-N 3.23Å; A351-V355 VanDerWaalsContact O-N 3.07Å; R352-V355 PolarHBondContact O-N 3.4Å; V355-R357 VanDerWaalsContact C-N 3.26Å; V355-R357 PolarHBondContact O-N 3.3Å |
| 356 | E | 77.1 | Confident | 70.5 | Confident | 133 Ų | 133 | 133.5 Ų | 133.5 | 62% | 0.621 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -77.6 | -7 | -179.4 | -156.5 | 169.7 | 164.8 | 0 | 0 | 113.5 | R352 P358 | R352-E356 IonicContact CZ-OE2 3.77Å; R352-E356 IonicContact NH1-OE2 2.88Å; R352-E356 PolarHBondContact NH1-OE2 3.49Å; R352-E356 PolarHBondContact O-N 2.95Å; E356-P358 WeakPolarHBondContact O-CD 3.44Å |
| 357 | R | 71.6 | Confident | 68.3 | Low | 167 Ų | 167 | 132.9 Ų | 132.9 | 63% | 0.63 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -82.6 | 119.3 | 178.5 | -153.1 | -175.5 | -58 | -157.1 | 5.4 | 110.4 | R353 V355 | R353-R357 PolarHBondContact O-N 2.95Å; V355-R357 VanDerWaalsContact C-N 3.26Å; V355-R357 PolarHBondContact O-N 3.3Å |
| 358 | P | 68.9 | Low | 65.7 | Low | 102 Ų | 102 | 132 Ų | 132 | 66% | 0.662 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 145.7 | -178 | 27.1 | -33.4 | 0 | 0 | 0 | 111.7 | E356 S360 | E356-P358 WeakPolarHBondContact O-CD 3.44Å; P358-S360 PolarHBondContact O-N 3.33Å |
| 359 | P | 57.8 | Low | 63.3 | Low | 130 Ų | 130 | 130.8 Ų | 130.8 | 84% | 0.844 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 119.7 | 178.5 | 27.3 | -32.4 | 0 | 0 | 0 | 110.5 | ||
| 360 | S | 58.6 | Low | 60.6 | Low | 112 Ų | 112 | 130.7 Ų | 130.7 | 78% | 0.783 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 141 | 166.7 | -58.5 | 0 | 0 | 0 | 0 | 110.2 | P358 | P358-S360 PolarHBondContact O-N 3.33Š|
| 361 | P | 49.8 | Very low | 58.9 | Low | 125 Ų | 125 | 129.6 Ų | 129.6 | 81% | 0.812 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 143.2 | -172.6 | 27.1 | -32 | 0 | 0 | 0 | 112.7 | ||
| 362 | A | 44.8 | Very low | 56.2 | Low | 102 Ų | 102 | 132.6 Ų | 132.6 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 134.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 363 | H | 42.9 | Very low | 54 | Low | 199 Ų | 199 | 130.7 Ų | 130.7 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 130.7 | 158.3 | -91 | -65.4 | 0 | 0 | 0 | 110.4 | ||
| 364 | A | 37.8 | Very low | 51.3 | Low | 95 Ų | 95 | 128.7 Ų | 128.7 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 155.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 365 | T | 37.7 | Very low | 49.7 | Very low | 141 Ų | 141 | 126.2 Ų | 126.2 | 87% | 0.865 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 141.4 | 174.6 | 11.6 | 0 | 0 | 0 | 0 | 115.8 | ||
| 366 | T | 32.3 | Very low | 47.9 | Very low | 136 Ų | 136 | 126.2 Ų | 126.2 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | -140 | 139.4 | 147.6 | 34.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 367 | P | 48.6 | Very low | 45.8 | Very low | 124 Ų | 124 | 125.7 Ų | 125.7 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | trans | -93.8 | 153.8 | -173 | 36.1 | -33.7 | 0 | 0 | 0 | 114 | ||||
| 368 | S | 37 | Very low | 44.2 | Very low | 112 Ų | 112 | 126 Ų | 126 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | trans | -76 | 156.2 | 170.2 | 165.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 369 | P | 43.5 | Very low | 43.3 | Very low | 117 Ų | 117 | 126.3 Ų | 126.3 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | trans | -117.3 | 154.8 | 149.9 | 34.7 | -23.7 | 0 | 0 | 0 | 113.9 | ||||
| 370 | T | 35 | Very low | 42.1 | Very low | 137 Ų | 137 | 125 Ų | 125 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | trans | -81.6 | -172.3 | -165.6 | -7.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 371 | P | 54.7 | Low | 41 | Very low | 109 Ų | 109 | 124 Ų | 124 | 71% | 0.708 | 80% | 0.8 | S | S | * | * | trans | -117.9 | -173.4 | -136.8 | 34.8 | -11.1 | 0 | 0 | 0 | 116.4 | ||||
| 372 | S | 33.4 | Very low | 40.3 | Very low | 114 Ų | 114 | 126 Ų | 126 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | 98.8 | 157.2 | 162.8 | -59.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 373 | P | 44.8 | Very low | 39.7 | Very low | 128 Ų | 128 | 127.3 Ų | 127.3 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | cis | -130.7 | 171.7 | -19.7 | 34.1 | -14 | 0 | 0 | 0 | 115.2 | ||||
| 374 | T | 34.5 | Very low | 39.3 | Very low | 132 Ų | 132 | 125.3 Ų | 125.3 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | -95.1 | 176.4 | 167.9 | -15 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 375 | P | 50.7 | Low | 38.8 | Very low | 105 Ų | 105 | 128 Ų | 128 | 68% | 0.682 | 79% | 0.787 | S | S | * | * | cis | -126.4 | -169.1 | -29.8 | 28.7 | -5.4 | 0 | 0 | 0 | 112.6 | ||||
| 376 | P | 44.8 | Very low | 38.5 | Very low | 130 Ų | 130 | 125.1 Ų | 125.1 | 84% | 0.844 | 79% | 0.786 | S | S | * | * | -147.4 | 173.9 | 105.2 | 36.8 | -17.8 | 0 | 0 | 0 | 117.1 | |||||
| 377 | V | 32.8 | Very low | 38.5 | Very low | 123 Ų | 123 | 124.4 Ų | 124.4 | 75% | 0.745 | 79% | 0.786 | S | S | * | * | trans | -94.4 | 146.5 | -162.3 | -160.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 378 | Q | 37.7 | Very low | 37.5 | Very low | 172 Ų | 172 | 122.2 Ų | 122.2 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | 138.9 | 170.9 | 110.4 | -86.6 | -159.9 | -5.6 | 0 | 0 | 111.1 | |||||
| 379 | P | 49.6 | Very low | 37.1 | Very low | 109 Ų | 109 | 122 Ų | 122 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | cis | -143.4 | 174.6 | -31.1 | 37.4 | -17.3 | 0 | 0 | 0 | 117.4 | ||||
| 380 | A | 32.4 | Very low | 36.4 | Very low | 103 Ų | 103 | 124.4 Ų | 124.4 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | trans | 64.8 | 131 | 137.2 | 0 | 0 | 0 | 0 | 0 | 126.8 | ||||
| 381 | A | 37 | Very low | 36.1 | Very low | 92 Ų | 92 | 123.2 Ų | 123.2 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | -174 | 113 | 129.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 382 | E | 34.2 | Very low | 36.1 | Very low | 166 Ų | 166 | 123.6 Ų | 123.6 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | 72.5 | 124.8 | 83.4 | -117.7 | -178.5 | 154 | 0 | 0 | 114.4 | |||||
| 383 | L | 33.4 | Very low | 36.3 | Very low | 130 Ų | 130 | 124.1 Ų | 124.1 | 68% | 0.681 | 79% | 0.791 | S | S | * | * | -167.3 | 140.2 | 66 | -78.1 | 163.5 | 0 | 0 | 0 | 115 | |||||
| 384 | Q | 32.9 | Very low | 35.7 | Very low | 156 Ų | 156 | 125.8 Ų | 125.8 | 73% | 0.729 | 79% | 0.792 | S | S | * | * | 48 | 125.1 | 129.9 | -58.1 | 176.9 | 4.4 | 0 | 0 | 121.2 | |||||
| 385 | V | 28.9 | Very low | 36.1 | Very low | 152 Ų | 152 | 125.5 Ų | 125.5 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | 76.5 | 121.9 | 52.3 | -173 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 386 | G | 29.8 | Very low | 35 | Very low | 81 Ų | 81 | 123.7 Ų | 123.7 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | -178 | 130.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 387 | S | 31.9 | Very low | 34.3 | Very low | 120 Ų | 120 | 126.8 Ų | 126.8 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | -121 | 157.6 | -163.7 | 55.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 388 | G | 28.6 | Very low | 34.1 | Very low | 79 Ų | 79 | 125.1 Ų | 125.1 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | trans | 87.9 | 160.8 | 155.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 389 | S | 28 | Very low | 34 | Very low | 107 Ų | 107 | 125.1 Ų | 125.1 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | cis | -178.3 | 159.4 | -12.1 | -169.1 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 390 | L | 29.4 | Very low | 33 | Very low | 168 Ų | 168 | 127.6 Ų | 127.6 | 88% | 0.88 | 79% | 0.791 | S | S | * | * | trans | 79.4 | 133.7 | 159.2 | -62.1 | 164.6 | 0 | 0 | 0 | 122.4 | ||||
| 391 | S | 29 | Very low | 33 | Very low | 112 Ų | 112 | 129.4 Ų | 129.4 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | trans | -86.5 | -166.2 | 169.5 | -30.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 392 | P | 53.9 | Low | 32.8 | Very low | 116 Ų | 116 | 131.6 Ų | 131.6 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | cis | -122.4 | -171 | -43.7 | 40.6 | -23.6 | 0 | 0 | 0 | 111.2 | ||||
| 393 | P | 38.6 | Very low | 32.7 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | -152.6 | 166.8 | 83.5 | 36.5 | -14.1 | 0 | 0 | 0 | 117.5 | |||||
| 394 | L | 31.2 | Very low | 32.6 | Very low | 164 Ų | 164 | 128.3 Ų | 128.3 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | trans | -73.6 | -176.1 | 164.7 | -75.7 | 162.2 | 0 | 0 | 0 | 111.5 | ||||
| 395 | P | 43.9 | Very low | 32.4 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | cis | -144.4 | 178.1 | 11.4 | 40.1 | -19.1 | 0 | 0 | 0 | 117.4 | ||||
| 396 | G | 27.9 | Very low | 32.6 | Very low | 67 Ų | 67 | 129.8 Ų | 129.8 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | trans | 154.9 | 106.3 | 148.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 397 | H | 30.1 | Very low | 32.6 | Very low | 195 Ų | 195 | 133.3 Ų | 133.3 | 90% | 0.903 | 79% | 0.79 | S | S | * | * | trans | 46 | 146.9 | 139.2 | -83 | 5.9 | 0 | 0 | 0 | 121.8 | ||||
| 398 | S | 28.4 | Very low | 32.7 | Very low | 87 Ų | 87 | 135.4 Ų | 135.4 | 61% | 0.608 | 79% | 0.786 | S | S | * | * | cis | 179.6 | 161.7 | 0.2 | -175.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 399 | Q | 35.1 | Very low | 32.9 | Very low | 173 Ų | 173 | 138.6 Ų | 138.6 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | trans | 86.9 | 108.3 | 157.9 | -43.6 | -157.1 | 6.4 | 0 | 0 | 119 | ||||
| 400 | H | 29.2 | Very low | 33.1 | Very low | 161 Ų | 161 | 137.7 Ų | 137.7 | 75% | 0.745 | 78% | 0.778 | S | S | * | * | 74.8 | 126.3 | 84.6 | -141.3 | -141.1 | 0 | 0 | 0 | 111.4 | |||||
| 401 | M | 30.6 | Very low | 33.2 | Very low | 140 Ų | 140 | 138.7 Ų | 138.7 | 69% | 0.69 | 78% | 0.779 | S | S | * | * | cis | -155.9 | 155.2 | 34.8 | -76.9 | -95.5 | -160.7 | 0 | 0 | 108.7 | ||||
| 402 | T | 33.4 | Very low | 33.4 | Very low | 138 Ų | 138 | 137.6 Ų | 137.6 | 85% | 0.847 | 77% | 0.771 | S | S | * | * | -170.4 | 123 | 122.5 | -59.9 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 403 | S | 32.3 | Very low | 32.3 | Very low | 98 Ų | 98 | 141.2 Ų | 141.2 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | trans | -94.6 | 131.9 | 174.4 | 129.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 404 | C | 31.2 | Very low | 31.9 | Very low | 130 Ų | 130 | 139.7 Ų | 139.7 | 88% | 0.878 | 78% | 0.776 | S | S | * | * | trans | -135.7 | 115.2 | 151.9 | -83.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 405 | F | 29.2 | Very low | 31.8 | Very low | 189 Ų | 189 | 135.9 Ų | 135.9 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | trans | -96.6 | 145.6 | -179.2 | -159.1 | -101.5 | 0 | 0 | 0 | 109.3 | L407 | F405-L407 HydrophobicContact CE1-CD1 4.3Š| ||
| 406 | L | 33.3 | Very low | 31.1 | Very low | 149 Ų | 149 | 136.9 Ų | 136.9 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | trans | -64.2 | 156.7 | 175.2 | -68.2 | 156.8 | 0 | 0 | 0 | 112.3 | ||||
| 407 | L | 29.9 | Very low | 31.3 | Very low | 155 Ų | 155 | 140.9 Ų | 140.9 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | -167.1 | 157.8 | 121.6 | -125.5 | 70.9 | 0 | 0 | 0 | 114 | F405 | F405-L407 HydrophobicContact CE1-CD1 4.3Š| |||
| 408 | Q | 34.2 | Very low | 31.4 | Very low | 165 Ų | 165 | 138.4 Ų | 138.4 | 77% | 0.771 | 76% | 0.761 | S | S | * | * | trans | -94.8 | -179.9 | -165.7 | -82.1 | 155.5 | -56.5 | 0 | 0 | 116 | ||||
| 409 | N | 32.7 | Very low | 32.4 | Very low | 146 Ų | 146 | 140 Ų | 140 | 78% | 0.781 | 77% | 0.769 | S | S | * | * | trans | 93.6 | 151.5 | 153.2 | -76.5 | 8.2 | 0 | 0 | 0 | 117 | ||||
| 410 | S | 31.5 | Very low | 32.1 | Very low | 87 Ų | 87 | 138.6 Ų | 138.6 | 61% | 0.608 | 77% | 0.766 | S | S | * | * | cis | 170.2 | 157.8 | -19 | -82.9 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 411 | Q | 32.7 | Very low | 32.2 | Very low | 190 Ų | 190 | 140.3 Ų | 140.3 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | trans | 77.1 | 152.4 | 163.8 | -62.8 | 175.7 | 21.9 | 0 | 0 | 118.1 | ||||
| 412 | S | 31.2 | Very low | 32.3 | Very low | 88 Ų | 88 | 141.7 Ų | 141.7 | 62% | 0.615 | 77% | 0.772 | S | S | * | * | cis | 179.9 | 156 | -27.1 | 52.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 413 | E | 30.8 | Very low | 32.4 | Very low | 192 Ų | 192 | 142 Ų | 142 | 90% | 0.897 | 76% | 0.764 | S | S | * | * | trans | 69.8 | 148.5 | 161 | -61.3 | 178.2 | 147.8 | 0 | 0 | 118.7 | ||||
| 414 | A | 30.8 | Very low | 32.2 | Very low | 94 Ų | 94 | 144.3 Ų | 144.3 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | cis | -159.3 | 142.6 | 19.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 415 | A | 29.7 | Very low | 32.2 | Very low | 84 Ų | 84 | 145.4 Ų | 145.4 | 69% | 0.694 | 77% | 0.767 | S | S | * | * | 90.2 | 145.3 | 93.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 416 | N | 28.5 | Very low | 32.2 | Very low | 146 Ų | 146 | 145.7 Ų | 145.7 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | trans | 87.8 | 139.4 | 169.7 | -48.6 | -51.2 | 0 | 0 | 0 | 116.7 | ||||
| 417 | D | 31.8 | Very low | 32 | Very low | 152 Ų | 152 | 143.4 Ų | 143.4 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | cis | -167.9 | 149.1 | -14.1 | -116.4 | -25.4 | 0 | 0 | 0 | 106.7 | ||||
| 418 | E | 33.6 | Very low | 32 | Very low | 143 Ų | 143 | 145.4 Ų | 145.4 | 67% | 0.668 | 78% | 0.778 | S | S | * | * | trans | -86.7 | 161.8 | 170.5 | -123.6 | -98.1 | 141.1 | 0 | 0 | 109.5 | L420 | E418-L420 PolarHBondContact OE1-N 3.5Å; E418-L420 VanDerWaalsContact OE1-N 3.16Å; E418-L420 WeakPolarHBondContact OE2-CB 3.46Å; E418-L420 PolarHBondContact OE2-N 2.97Å | ||
| 419 | P | 49.6 | Very low | 31.8 | Very low | 119 Ų | 119 | 145.2 Ų | 145.2 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | -152.4 | 135.7 | 86.4 | 35.1 | -13.8 | 0 | 0 | 0 | 118 | |||||
| 420 | L | 28.3 | Very low | 31.8 | Very low | 145 Ų | 145 | 142.4 Ų | 142.4 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | 32.6 | 124.4 | 116.3 | -147.3 | 81.4 | 0 | 0 | 0 | 120.1 | E418 | E418-L420 PolarHBondContact OE1-N 3.5Å; E418-L420 VanDerWaalsContact OE1-N 3.16Å; E418-L420 WeakPolarHBondContact OE2-CB 3.46Å; E418-L420 PolarHBondContact OE2-N 2.97Å | |||
| 421 | Y | 30.8 | Very low | 31.8 | Very low | 197 Ų | 197 | 149 Ų | 149 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | -174.7 | 138.6 | 107.7 | 110 | -76.2 | 0 | 0 | 0 | 115.9 | |||||
| 422 | E | 33.6 | Very low | 31.8 | Very low | 168 Ų | 168 | 149.2 Ų | 149.2 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | 45.9 | 124.7 | 153 | -58.3 | 175.5 | 160 | 0 | 0 | 127.3 | ||||
| 423 | E | 34.7 | Very low | 31.7 | Very low | 145 Ų | 145 | 153.7 Ų | 153.7 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | trans | -43.3 | 141.1 | 149.3 | -178.4 | 172.7 | -157.5 | 0 | 0 | 117 | Q425 | E423-Q425 HydrophobicContact CG-CG 4.38Å; E423-Q425 PolarHBondContact OE1-NE2 2.83Å | ||
| 424 | T | 27.8 | Very low | 31.8 | Very low | 147 Ų | 147 | 150.8 Ų | 150.8 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -145.7 | 130.7 | 138.4 | 29.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 425 | Q | 32 | Very low | 31.8 | Very low | 153 Ų | 153 | 153.1 Ų | 153.1 | 72% | 0.715 | 80% | 0.802 | S | S | * | * | trans | -88.6 | 146.3 | 175.7 | -59.9 | 170.2 | 3.8 | 0 | 0 | 109.3 | E423 | E423-Q425 HydrophobicContact CG-CG 4.38Å; E423-Q425 PolarHBondContact OE1-NE2 2.83Å | ||
| 426 | E | 28.9 | Very low | 31.6 | Very low | 195 Ų | 195 | 154.7 Ų | 154.7 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | trans | -165 | 124.9 | 140 | -110.4 | 169.8 | -165.7 | 0 | 0 | 113.2 | ||||
| 427 | A | 29.1 | Very low | 31.7 | Very low | 100 Ų | 100 | 156.8 Ų | 156.8 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | trans | 32.8 | 110.1 | 153.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 428 | Q | 29.7 | Very low | 31.7 | Very low | 197 Ų | 197 | 156.6 Ų | 156.6 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 121.8 | 159.7 | -63 | 177.3 | -16.5 | 0 | 0 | 109 | ||
| 429 | D | 29.4 | Very low | 31.7 | Very low | 161 Ų | 161 | 157.6 Ų | 157.6 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 132.8 | 168.7 | -89.5 | -42 | 0 | 0 | 0 | 110.5 | ||
| 430 | A | 32.5 | Very low | 31.1 | Very low | 88 Ų | 88 | 157 Ų | 157 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 126.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 431 | Y | 32.6 | Very low | 31.3 | Very low | 226 Ų | 226 | 157.6 Ų | 157.6 | 89% | 0.886 | 80% | 0.801 | S | S | * | * | trans | -136.3 | 126.2 | 151.8 | -89.2 | -89.5 | 0 | 0 | 0 | 109.3 | ||||
| 432 | E | 32 | Very low | 31.2 | Very low | 193 Ų | 193 | 157.6 Ų | 157.6 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -71.5 | 133 | -172.8 | -63.4 | 170.2 | 148.4 | 0 | 0 | 111.9 | ||||
| 433 | Q | 30.6 | Very low | 31.1 | Very low | 183 Ų | 183 | 154 Ų | 154 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | trans | -105.5 | 133.9 | 154.1 | -75.5 | -159.4 | 10 | 0 | 0 | 109 | ||||
| 434 | P | 32.8 | Very low | 30.9 | Very low | 131 Ų | 131 | 151.9 Ų | 151.9 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | -86.4 | 124.2 | 166.8 | 31.6 | -27.5 | 0 | 0 | 0 | 110.3 | ||||
| 435 | D | 30.3 | Very low | 31.1 | Very low | 143 Ų | 143 | 149.3 Ų | 149.3 | 77% | 0.765 | 81% | 0.808 | S | S | * | * | trans | -99.1 | 150.4 | 176.3 | -130 | -21.9 | 0 | 0 | 0 | 110.9 | ||||
| 436 | L | 25.5 | Very low | 31.4 | Very low | 117 Ų | 117 | 148.5 Ų | 148.5 | 61% | 0.613 | 82% | 0.816 | S | S | * | * | trans | 87 | 118.9 | 155.9 | -57.2 | 152.8 | 0 | 0 | 0 | 121.4 | ||||
| 437 | Y | 30.4 | Very low | 31.6 | Very low | 190 Ų | 190 | 144.4 Ų | 144.4 | 75% | 0.745 | 82% | 0.815 | S | S | * | * | 166.8 | 117.3 | 93.7 | -102.6 | -85.1 | 0 | 0 | 0 | 108.2 | |||||
| 438 | Q | 31.1 | Very low | 31.5 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 69% | 0.687 | 82% | 0.815 | S | S | * | * | 65.4 | 120.4 | 80.9 | -116.3 | 157.4 | -19.6 | 0 | 0 | 115.7 | |||||
| 439 | N | 33.5 | Very low | 31.5 | Very low | 165 Ų | 165 | 138 Ų | 138 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | trans | -60.2 | 137.7 | 169.1 | -73.2 | -77.3 | 0 | 0 | 0 | 112 | ||||
| 440 | P | 37 | Very low | 31.4 | Very low | 106 Ų | 106 | 135.1 Ų | 135.1 | 69% | 0.688 | 81% | 0.81 | S | S | * | * | trans | -101.9 | 127.9 | 164.1 | 34.3 | -24.2 | 0 | 0 | 0 | 111 | ||||
| 441 | D | 32.2 | Very low | 31.3 | Very low | 158 Ų | 158 | 136.7 Ų | 136.7 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | 152.5 | 110.5 | 114.6 | -96.5 | -33.7 | 0 | 0 | 0 | 112.3 | |||||
| 442 | E | 29.4 | Very low | 31.5 | Very low | 197 Ų | 197 | 131.8 Ų | 131.8 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -142.1 | 117.6 | 144.8 | -169.1 | 166.4 | 162.8 | 0 | 0 | 108.4 | ||||
| 443 | A | 31 | Very low | 31.5 | Very low | 91 Ų | 91 | 128.1 Ų | 128.1 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | trans | -148.3 | 121.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 444 | A | 31.9 | Very low | 32.6 | Very low | 102 Ų | 102 | 124.7 Ų | 124.7 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | 96 | 116.1 | 137.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 445 | A | 31.3 | Very low | 32.4 | Very low | 93 Ų | 93 | 125.8 Ų | 125.8 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -67.5 | 172.3 | 163.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 446 | P | 39.1 | Very low | 32.7 | Very low | 135 Ų | 135 | 125.3 Ų | 125.3 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | -141.1 | 171.5 | 103.9 | 34.2 | -17.5 | 0 | 0 | 0 | 115.9 | |||||
| 447 | A | 31.5 | Very low | 33.2 | Very low | 109 Ų | 109 | 126.9 Ų | 126.9 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | trans | -76.1 | 160.1 | -159 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 448 | G | 27.8 | Very low | 33.4 | Very low | 80 Ų | 80 | 123 Ų | 123 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | 158.4 | 112.2 | 156.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 449 | G | 28.7 | Very low | 33.7 | Very low | 84 Ų | 84 | 123.8 Ų | 123.8 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | trans | -92.9 | 159.4 | -166.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 450 | A | 29 | Very low | 33.7 | Very low | 99 Ų | 99 | 121.9 Ų | 121.9 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -178.2 | 132.3 | 140.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 451 | S | 29 | Very low | 33.6 | Very low | 122 Ų | 122 | 124.3 Ų | 124.3 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | trans | 23.4 | 135.3 | 159.8 | -61.5 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 452 | P | 37 | Very low | 33.5 | Very low | 122 Ų | 122 | 124.9 Ų | 124.9 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | trans | -105.1 | 139.3 | 170.7 | 36.7 | -27 | 0 | 0 | 0 | 114.2 | ||||
| 453 | S | 31.9 | Very low | 34.2 | Very low | 116 Ų | 116 | 123.8 Ų | 123.8 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | 160.7 | 157.9 | 132.9 | -71 | 0 | 0 | 0 | 0 | 111 | ||||
| 454 | P | 53.4 | Low | 34.8 | Very low | 111 Ų | 111 | 128.2 Ų | 128.2 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | cis | -127.5 | -177.8 | -40.9 | 35.3 | -17.6 | 0 | 0 | 0 | 111.1 | ||||
| 455 | L | 29.6 | Very low | 35.4 | Very low | 155 Ų | 155 | 128.8 Ų | 128.8 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | trans | 146.1 | 91.5 | 156.3 | -77.7 | -175.1 | 0 | 0 | 0 | 109.1 | ||||
| 456 | I | 36.3 | Very low | 36.2 | Very low | 133 Ų | 133 | 126.5 Ų | 126.5 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | 77.9 | 110.5 | 83.8 | -63.9 | 173.9 | 0 | 0 | 0 | 114.7 | |||||
| 457 | N | 36.2 | Very low | 37 | Very low | 149 Ų | 149 | 128.6 Ų | 128.6 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | 81.6 | 112.3 | 148.2 | -63.2 | -8.7 | 0 | 0 | 0 | 123.1 | ||||
| 458 | S | 34.3 | Very low | 38.4 | Very low | 109 Ų | 109 | 130 Ų | 130 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | -156.8 | 99.2 | 134.6 | 55.7 | 0 | 0 | 0 | 0 | 110.7 | V460 | S458-V460 PolarHBondContact O-N 3.34Š| ||
| 459 | D | 36.8 | Very low | 40.2 | Very low | 164 Ų | 164 | 131.4 Ų | 131.4 | 88% | 0.877 | 75% | 0.752 | S | S | * | * | trans | 18.5 | 81.5 | 151.4 | -54.6 | -40.4 | 0 | 0 | 0 | 119.3 | ||||
| 460 | V | 34.8 | Very low | 42.7 | Very low | 124 Ų | 124 | 130 Ų | 130 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | trans | -108.2 | 113 | 145.6 | -179.6 | 0 | 0 | 0 | 0 | 105.5 | S458 Q462 | S458-V460 PolarHBondContact O-N 3.34Å; V460-Q462 PolarHBondContact O-N 3.29Å | ||
| 461 | Q | 33.9 | Very low | 45.6 | Very low | 157 Ų | 157 | 127.9 Ų | 127.9 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | trans | -69.7 | 77.3 | 166.8 | -77.5 | 179.9 | -7.6 | 0 | 0 | 108.1 | Y463 | Q461-Y463 HydrophobicContact CB-CE2 4.41Å; Q461-Y463 PolarHBondContact O-N 2.85Å; Q461-Y463 VanDerWaalsContact O-N 3.16Å | ||
| 462 | Q | 30.8 | Very low | 48.7 | Very low | 170 Ų | 170 | 123.6 Ų | 123.6 | 79% | 0.794 | 68% | 0.683 | S | S | * | * | trans | -73.2 | 98.2 | 164.5 | -170.8 | 174 | -3.5 | 0 | 0 | 105.6 | V460 E464 | V460-Q462 PolarHBondContact O-N 3.29Å; Q462-E464 VanDerWaalsContact C-N 3.33Å; Q462-E464 PolarHBondContact O-N 3.03Å | ||
| 463 | Y | 43.1 | Very low | 51.5 | Low | 174 Ų | 174 | 117.8 Ų | 117.8 | 68% | 0.682 | 65% | 0.645 | S | S | * | * | trans | -60.4 | 104.1 | 166.5 | -66.4 | -84.9 | 0 | 0 | 0 | 106.8 | Q461 Y465 | Q461-Y463 HydrophobicContact CB-CE2 4.41Å; Q461-Y463 PolarHBondContact O-N 2.85Å; Q461-Y463 VanDerWaalsContact O-N 3.16Å; Y463-Y465 PolarHBondContact O-N 2.79Å | ||
| 464 | E | 43.3 | Very low | 54.6 | Low | 184 Ų | 184 | 112.6 Ų | 112.6 | 86% | 0.86 | 61% | 0.608 | S | S | * | * | trans | -67.2 | 79.5 | 170.4 | -169.5 | 171.6 | -166.5 | 0 | 0 | 106.9 | Q462 G466 | Q462-E464 VanDerWaalsContact C-N 3.33Å; Q462-E464 PolarHBondContact O-N 3.03Å; E464-G466 VanDerWaalsContact C-N 3.32Å; E464-G466 PolarHBondContact O-N 2.92Å | ||
| 465 | Y | 44.9 | Very low | 56.7 | Low | 114 Ų | 114 | 107.3 Ų | 107.3 | 45% | 0.447 | 57% | 0.574 | S | S | . | * | trans | -62.6 | 106.7 | 154.1 | -78.5 | -73.6 | 0 | 0 | 0 | 104.8 | Y463 N497 | Y463-Y465 PolarHBondContact O-N 2.79Å; Y465-N497 HydrophobicContact CD1-CB 4.44Å; Y465-N497 WeakPolarHBondContact CD1-ND2 3.36Å; Y465-N497 HydrophobicContact CE1-CB 4.03Å; Y465-N497 VanDerWaalsContact CE1-ND2 3.27Å; Y465-N497 WeakPolarHBondContact CE1-ND2 3.27Å | ||
| 466 | G | 48.6 | Very low | 59.9 | Low | 45 Ų | 45 | 103.7 Ų | 103.7 | 46% | 0.464 | 56% | 0.555 | S | S | . | * | trans | -50.8 | 159.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | E464 D468 | E464-G466 VanDerWaalsContact C-N 3.32Å; E464-G466 PolarHBondContact O-N 2.92Å; G466-D468 CarbonylContact O-C 3.51Å; G466-D468 PolarHBondContact O-N 3.31Å | ||
| 467 | D | 55.5 | Low | 62.7 | Low | 179 Ų | 179 | 103.9 Ų | 103.9 | 96% | 0.957 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -53.1 | 6.2 | -178.5 | -79.2 | -59.6 | 0 | 0 | 0 | 116 | ||
| 468 | D | 62 | Low | 65.6 | Low | 140 Ų | 140 | 102 Ų | 102 | 75% | 0.749 | 54% | 0.538 | S | S | * | . | trans | -87.2 | 95.2 | 164.8 | -61.6 | -68.1 | 0 | 0 | 0 | 109.4 | G466 G470 | G466-D468 CarbonylContact O-C 3.51Å; G466-D468 PolarHBondContact O-N 3.31Å; D468-G470 PolarHBondContact O-N 3.13Å | ||
| 469 | L | 64.8 | Low | 68.6 | Low | 109 Ų | 109 | 98.3 Ų | 98.3 | 57% | 0.571 | 51% | 0.508 | S | S | * | . | trans | -60.4 | 10.5 | 173.2 | -70.8 | 168.8 | 0 | 0 | 0 | 114.5 | T472 N497 | L469-T472 HydrophobicContact CB-CG2 4.33Å; L469-N497 PolarHBondContact O-N 3.3Å | ||
| 470 | G | 80.8 | Confident | 71.5 | Confident | 53 Ų | 53 | 97.6 Ų | 97.6 | 55% | 0.546 | 50% | 0.499 | S | S | . | . | trans | 58.6 | -153.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D468 | D468-G470 PolarHBondContact O-N 3.13Š| ||
| 471 | V | 90.1 | Very high | 74.4 | Confident | 55 Ų | 55 | 93.1 Ų | 93.1 | 33% | 0.333 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 130.9 | 168.9 | 179.9 | 0 | 0 | 0 | 0 | 108 | I498 V524 | V471-I498 HydrophobicContact CB-CB 4.21Å; V471-I498 HydrophobicContact CG1-CB 4.38Å; V471-I498 WeakPolarHBondContact O-CB 3.5Å; V471-I498 WeakPolarHBondContact O-CG1 3.32Å; V471-I498 PolarHBondContact O-N 3.3Å; V471-I498 VanDerWaalsContact O-N 3.08Å; V471-V524 HydrophobicContact CG1-CG1 3.5Å; V471-V524 VanDerWaalsContact CG1-CG1 3.5Å |
| 472 | T | 94.6 | Very high | 77.2 | Confident | 33 Ų | 33 | 90 Ų | 90 | 20% | 0.202 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 151.6 | 174.4 | 68.4 | 0 | 0 | 0 | 0 | 110.3 | L469 I495 T496 R525 | L469-T472 HydrophobicContact CB-CG2 4.33Å; T472-I495 CarbonylContact C-O 3.57Å; T472-I495 VanDerWaalsContact CA-O 3.29Å; T472-I495 WeakPolarHBondContact CA-O 3.32Å; T472-T496 HydrophobicContact CG2-CG2 4.12Å; T472-R525 PolarHBondContact O-N 3.15Å; T472-R525 VanDerWaalsContact O-O 3.13Å; T472-R525 PolarHBondContact OG1-O 3.21Å; T472-R525 VanDerWaalsContact OG1-O 3.09Å |
| 473 | A | 95.8 | Very high | 80.1 | Confident | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 157.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | I495 I498 V522 E523 V524 | A473-I495 PolarHBondContact N-O 3.5Å; A473-I495 PolarHBondContact O-N 2.87Å; A473-I498 HydrophobicContact CB-CD1 3.23Å; A473-I498 VanDerWaalsContact N-CD1 3.29Å; A473-V522 HydrophobicContact CB-CB 3.88Å; A473-V522 HydrophobicContact CB-CG2 3.78Å; A473-E523 CarbonylContact C-O 3.58Å; A473-E523 WeakPolarHBondContact CA-O 3.36Å; A473-E523 WeakPolarHBondContact CB-O 3.49Å; A473-V524 HydrophobicContact CB-CG2 4.42Å |
| 474 | V | 96.7 | Very high | 82.5 | Confident | 6 Ų | 6 | 83.3 Ų | 83.3 | 4% | 0.036 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 131 | 174.8 | 175.3 | 0 | 0 | 0 | 0 | 109.6 | L476 D493 I494 V522 E523 R525 | V474-L476 PolarHBondContact O-N 3.41Å; V474-D493 WeakPolarHBondContact CA-O 3.36Å; V474-I494 HydrophobicContact CG2-CG1 4.19Å; V474-V522 CarbonylContact O-C 3.5Å; V474-V522 VanDerWaalsContact O-CA 3.28Å; V474-V522 WeakPolarHBondContact O-CA 3.45Å; V474-E523 PolarHBondContact N-O 2.88Å; V474-E523 PolarHBondContact O-N 3.37Å; V474-R525 HydrophobicContact CG2-CG 4.12Å |
| 475 | A | 97.1 | Very high | 85 | Confident | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 128.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | F489 D490 D492 D493 | A475-F489 HydrophobicContact CB-CD2 3.32Å; A475-F489 HydrophobicContact CB-CE2 3.6Å; A475-F489 HydrophobicContact CB-CG 4.31Å; A475-D490 VanDerWaalsContact CB-O 3.25Å; A475-D490 WeakPolarHBondContact CB-O 3.31Å; A475-D492 PolarHBondContact O-N 3.47Å; A475-D493 HydrophobicContact CB-CB 4.3Å; A475-D493 PolarHBondContact N-O 3.27Å |
| 476 | L | 96.9 | Very high | 87.4 | Confident | 80 Ų | 80 | 75.5 Ų | 75.5 | 42% | 0.419 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -90.2 | -28.2 | 174.8 | -64.7 | 177.3 | 0 | 0 | 0 | 112 | V474 Y521 E523 | V474-L476 PolarHBondContact O-N 3.41Å; L476-Y521 PolarHBondContact N-O 2.95Å; L476-E523 HydrophobicContact CD1-CB 4.15Å; L476-E523 HydrophobicContact CD2-CB 4Å; L476-E523 HydrophobicContact CG-CB 4.09Å |
| 477 | Y | 96.5 | Very high | 89.7 | Confident | 136 Ų | 136 | 73.4 Ų | 73.4 | 53% | 0.533 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -135 | 159.3 | -177.7 | -52.7 | -72.1 | 0 | 0 | 0 | 109.8 | F489 Y521 | Y477-F489 WeakPolarHBondContact O-CE2 3.28Å; Y477-Y521 HydrophobicContact CD2-CD1 4.42Å |
| 478 | D | 97.1 | Very high | 91.6 | Very high | 109 Ų | 109 | 67 Ų | 67 | 58% | 0.583 | 38% | 0.381 | S | S | * | . | trans | -66.5 | 144.9 | 168.1 | 61.4 | -65.4 | 0 | 0 | 0 | 109.9 | F489 P491 | D478-F489 WeakPolarHBondContact CA-O 3.45Å; D478-P491 HydrophobicContact CB-CG 4.37Å | ||
| 479 | Y | 97 | Very high | 93.3 | Very high | 33 Ų | 33 | 60.5 Ų | 60.5 | 13% | 0.129 | 35% | 0.346 | C | S | . | . | B | Isolated β-bridge | trans | -139.2 | 128.6 | 171.6 | -175.6 | -102.2 | 0 | 0 | 0 | 109.4 | E486 I487 S488 F489 P518 Y521 | Y479-E486 PolarHBondContact OH-OE2 3.5Å; Y479-I487 WeakPolarHBondContact CD1-O 3.43Å; Y479-S488 CarbonylContact O-C 3.59Å; Y479-S488 WeakPolarHBondContact O-CA 3.49Å; Y479-S488 WeakPolarHBondContact O-CB 3.38Å; Y479-F489 VanDerWaalsContact CB-CZ 3.43Å; Y479-F489 HydrophobicContact CD1-CE1 4.01Å; Y479-F489 HydrophobicContact CD1-CZ 4.36Å; Y479-F489 HydrophobicContact CG-CE1 4.21Å; Y479-F489 HydrophobicContact CG-CZ 4.11Å; Y479-F489 PolarHBondContact N-O 2.91Å; Y479-F489 PolarHBondContact O-N 3.29Å; Y479-P518 HydrophobicContact CD2-CG 3.73Å; Y479-P518 HydrophobicContact CE2-CG 3.65Å; Y479-P518 HydrophobicContact CG-CG 4.28Å; Y479-Y521 HydrophobicContact CD2-CD1 4.12Å; Y479-Y521 HydrophobicContact CD2-CE1 4.04Å |
| 480 | Q | 96.6 | Very high | 94.9 | Very high | 149 Ų | 149 | 59 Ų | 59 | 70% | 0.696 | 34% | 0.339 | S | S | * | . | trans | -106.6 | 122.8 | 174.7 | -167.7 | 67.5 | 12.5 | 0 | 0 | 109 | A482 | Q480-A482 PolarHBondContact O-N 3.35Š| ||
| 481 | A | 95.3 | Very high | 95.6 | Very high | 30 Ų | 30 | 59.3 Ų | 59.3 | 25% | 0.248 | 33% | 0.332 | C | S | . | . | trans | -56.1 | 129.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | E486 S488 | A481-E486 HydrophobicContact CB-CB 3.69Å; A481-E486 WeakPolarHBondContact CB-O 3.19Å; A481-S488 VanDerWaalsContact CB-OG 3.26Å; A481-S488 WeakPolarHBondContact CB-OG 3.38Å; A481-S488 PolarHBondContact N-OG 3.48Å | ||
| 482 | A | 93.6 | Very high | 95.9 | Very high | 90 Ų | 90 | 62.9 Ų | 62.9 | 74% | 0.744 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -90.5 | -21.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q480 E486 | Q480-A482 PolarHBondContact O-N 3.35Å; A482-E486 PolarHBondContact N-OE2 2.95Å |
| 483 | G | 92.3 | Very high | 96 | Very high | 24 Ų | 24 | 62.6 Ų | 62.6 | 25% | 0.247 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -133.5 | 165.6 | 180 | 0 | 0 | 0 | 0 | 0 | 112.9 | D485 E486 | G483-D485 PolarHBondContact O-N 2.97Å; G483-E486 PolarHBondContact O-N 3.33Å; G483-E486 VanDerWaalsContact O-N 3.15Å |
| 484 | D | 93.2 | Very high | 96 | Very high | 180 Ų | 180 | 67.3 Ų | 67.3 | 96% | 0.963 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -15.7 | 178.4 | -61.6 | -29.3 | 0 | 0 | 0 | 112.9 | ||
| 485 | D | 94.9 | Very high | 96 | Very high | 96 Ų | 96 | 67 Ų | 67 | 51% | 0.513 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -1.7 | 175.9 | 60.3 | -37.9 | 0 | 0 | 0 | 113.4 | G483 G515 L516 | G483-D485 PolarHBondContact O-N 2.97Å; D485-G515 CarbonylContact O-C 3.54Å; D485-G515 WeakPolarHBondContact O-CA 3.37Å; D485-L516 HydrophobicContact CB-CD1 4.44Å; D485-L516 WeakPolarHBondContact O-CB 3.36Å; D485-L516 PolarHBondContact O-N 2.88Å |
| 486 | E | 96.4 | Very high | 95.9 | Very high | 38 Ų | 38 | 68.5 Ų | 68.5 | 18% | 0.178 | 38% | 0.378 | C | S | . | . | B | Isolated β-bridge | trans | -108 | 155.9 | -179.8 | -63.2 | 178 | -165.3 | 0 | 0 | 112.3 | Y479 A481 A482 G483 W505 L516 | Y479-E486 PolarHBondContact OH-OE2 3.5Å; A481-E486 HydrophobicContact CB-CB 3.69Å; A481-E486 WeakPolarHBondContact CB-O 3.19Å; A482-E486 PolarHBondContact N-OE2 2.95Å; G483-E486 PolarHBondContact O-N 3.33Å; G483-E486 VanDerWaalsContact O-N 3.15Å; E486-W505 HydrophobicContact CG-CZ3 4.35Å; E486-L516 CarbonylContact C-O 3.55Å; E486-L516 VanDerWaalsContact CA-O 3.23Å; E486-L516 WeakPolarHBondContact CA-O 3.45Å; E486-L516 HydrophobicContact CG-CB 4.26Å |
| 487 | I | 96 | Very high | 95.7 | Very high | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.01 | 36% | 0.362 | C | S | . | . | trans | -108.2 | 143.8 | 175.7 | 56.7 | 173.9 | 0 | 0 | 0 | 111.3 | Y479 F489 I495 C510 A513 Y514 G515 L516 F517 | Y479-I487 WeakPolarHBondContact CD1-O 3.43Å; I487-F489 HydrophobicContact CD1-CD1 4.41Å; I487-F489 HydrophobicContact CG1-CD1 4.23Å; I487-F489 HydrophobicContact CG1-CE1 4.43Å; I487-I495 HydrophobicContact CD1-CG2 4.41Å; I487-C510 HydrophobicContact CD1-CB 3.79Å; I487-A513 HydrophobicContact CG2-CB 3.95Å; I487-Y514 VanDerWaalsContact CG2-C 3.48Å; I487-G515 VanDerWaalsContact CG2-N 3.25Å; I487-L516 PolarHBondContact N-O 3.02Å; I487-F517 HydrophobicContact CD1-CB 4.44Å; I487-F517 HydrophobicContact CD1-CD1 3.53Å; I487-F517 HydrophobicContact CD1-CE1 4.14Å; I487-F517 HydrophobicContact CD1-CG 4.25Å; I487-F517 HydrophobicContact CG1-CB 3.99Å; I487-F517 HydrophobicContact CG1-CD1 3.93Å; I487-F517 HydrophobicContact CG1-CG 4.34Å | ||
| 488 | S | 96.4 | Very high | 95.6 | Very high | 44 Ų | 44 | 59.6 Ų | 59.6 | 31% | 0.308 | 34% | 0.339 | S | S | . | . | trans | -99.6 | 142.9 | 171.7 | -48.9 | 0 | 0 | 0 | 0 | 110.4 | Y479 A481 | Y479-S488 CarbonylContact O-C 3.59Å; Y479-S488 WeakPolarHBondContact O-CA 3.49Å; Y479-S488 WeakPolarHBondContact O-CB 3.38Å; A481-S488 VanDerWaalsContact CB-OG 3.26Å; A481-S488 WeakPolarHBondContact CB-OG 3.38Å; A481-S488 PolarHBondContact N-OG 3.48Å | ||
| 489 | F | 97.1 | Very high | 95.4 | Very high | 3 Ų | 3 | 58 Ų | 58 | 1% | 0.013 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -152.9 | 155.1 | 178 | 52.5 | -97 | 0 | 0 | 0 | 111.5 | A475 Y477 D478 Y479 I487 D493 I495 F517 V522 | A475-F489 HydrophobicContact CB-CD2 3.32Å; A475-F489 HydrophobicContact CB-CE2 3.6Å; A475-F489 HydrophobicContact CB-CG 4.31Å; Y477-F489 WeakPolarHBondContact O-CE2 3.28Å; D478-F489 WeakPolarHBondContact CA-O 3.45Å; Y479-F489 VanDerWaalsContact CB-CZ 3.43Å; Y479-F489 HydrophobicContact CD1-CE1 4.01Å; Y479-F489 HydrophobicContact CD1-CZ 4.36Å; Y479-F489 HydrophobicContact CG-CE1 4.21Å; Y479-F489 HydrophobicContact CG-CZ 4.11Å; Y479-F489 PolarHBondContact N-O 2.91Å; Y479-F489 PolarHBondContact O-N 3.29Å; I487-F489 HydrophobicContact CD1-CD1 4.41Å; I487-F489 HydrophobicContact CG1-CD1 4.23Å; I487-F489 HydrophobicContact CG1-CE1 4.43Å; F489-D493 WeakPolarHBondContact CA-OD2 3.45Å; F489-D493 HydrophobicContact CB-CB 4.08Å; F489-D493 WeakPolarHBondContact CB-OD2 3.41Å; F489-I495 HydrophobicContact CD1-CD1 4.01Å; F489-I495 HydrophobicContact CE1-CD1 3.98Å; F489-I495 HydrophobicContact CG-CD1 4.3Å; F489-I495 HydrophobicContact CZ-CD1 4.23Å; F489-F517 HydrophobicContact CE1-CB 3.58Å; F489-F517 HydrophobicContact CE1-CD2 4.3Å; F489-F517 HydrophobicContact CE1-CG 4.05Å; F489-F517 HydrophobicContact CZ-CB 4.22Å; F489-F517 HydrophobicContact CZ-CD2 4.43Å; F489-V522 HydrophobicContact CE2-CG1 4.31Å; F489-V522 HydrophobicContact CZ-CG1 4.08Å |
| 490 | D | 97.5 | Very high | 95.2 | Very high | 78 Ų | 78 | 62.4 Ų | 62.4 | 42% | 0.417 | 35% | 0.352 | S | S | . | . | trans | -94.9 | 162.8 | 174.8 | -62.2 | -50.2 | 0 | 0 | 0 | 110.2 | A475 D493 R511 | A475-D490 VanDerWaalsContact CB-O 3.25Å; A475-D490 WeakPolarHBondContact CB-O 3.31Å; D490-D493 PolarHBondContact N-OD2 3.26Å; D490-D493 VanDerWaalsContact O-CB 3.29Å; D490-D493 WeakPolarHBondContact O-CB 3.35Å; D490-D493 PolarHBondContact O-N 2.8Å; D490-R511 IonicContact OD2-CZ 3.42Å; D490-R511 IonicContact OD2-NH1 2.74Å; D490-R511 PolarHBondContact OD2-NH1 3.38Å; D490-R511 IonicContact OD2-NH2 2.74Å; D490-R511 PolarHBondContact OD2-NH2 3.31Å | ||
| 491 | P | 97.1 | Very high | 94.9 | Very high | 60 Ų | 60 | 59.3 Ų | 59.3 | 39% | 0.39 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 146.9 | 170.9 | -19.8 | 31.4 | 0 | 0 | 0 | 110.9 | D478 D493 | D478-P491 HydrophobicContact CB-CG 4.37Å; P491-D493 PolarHBondContact O-N 2.92Å |
| 492 | D | 96.4 | Very high | 94.8 | Very high | 130 Ų | 130 | 61.9 Ų | 61.9 | 70% | 0.695 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 0.9 | -176 | -59.1 | -55.1 | 0 | 0 | 0 | 116.2 | A475 | A475-D492 PolarHBondContact O-N 3.47Š|
| 493 | D | 96.4 | Very high | 94.7 | Very high | 26 Ų | 26 | 66.7 Ų | 66.7 | 14% | 0.139 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 140.9 | 171.3 | -84 | -21.7 | 0 | 0 | 0 | 111.7 | V474 A475 F489 D490 P491 R511 | V474-D493 WeakPolarHBondContact CA-O 3.36Å; A475-D493 HydrophobicContact CB-CB 4.3Å; A475-D493 PolarHBondContact N-O 3.27Å; F489-D493 WeakPolarHBondContact CA-OD2 3.45Å; F489-D493 HydrophobicContact CB-CB 4.08Å; F489-D493 WeakPolarHBondContact CB-OD2 3.41Å; D490-D493 PolarHBondContact N-OD2 3.26Å; D490-D493 VanDerWaalsContact O-CB 3.29Å; D490-D493 WeakPolarHBondContact O-CB 3.35Å; D490-D493 PolarHBondContact O-N 2.8Å; P491-D493 PolarHBondContact O-N 2.92Å; D493-R511 IonicContact OD1-CZ 3.2Å; D493-R511 IonicContact OD1-NE 2.74Å; D493-R511 PolarHBondContact OD1-NE 2.83Å; D493-R511 IonicContact OD1-NH2 2.79Å; D493-R511 PolarHBondContact OD1-NH2 2.86Å; D493-R511 IonicContact OD2-CZ 2.89Å; D493-R511 IonicContact OD2-NE 3.17Å; D493-R511 PolarHBondContact OD2-NE 3.49Å; D493-R511 IonicContact OD2-NH1 2.94Å; D493-R511 IonicContact OD2-NH2 2.9Å; D493-R511 PolarHBondContact OD2-NH2 3.41Å |
| 494 | I | 95.5 | Very high | 94.8 | Very high | 100 Ų | 100 | 66.8 Ų | 66.8 | 51% | 0.513 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 118.5 | 176.8 | -54.5 | 177.4 | 0 | 0 | 0 | 109.4 | V474 T496 | V474-I494 HydrophobicContact CG2-CG1 4.19Å; I494-T496 HydrophobicContact CG2-CG2 4.06Å |
| 495 | I | 96.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 129.1 | 173.3 | -54.2 | 165.6 | 0 | 0 | 0 | 107.8 | T472 A473 I487 F489 I498 V509 C510 F517 V522 | T472-I495 CarbonylContact C-O 3.57Å; T472-I495 VanDerWaalsContact CA-O 3.29Å; T472-I495 WeakPolarHBondContact CA-O 3.32Å; A473-I495 PolarHBondContact N-O 3.5Å; A473-I495 PolarHBondContact O-N 2.87Å; I487-I495 HydrophobicContact CD1-CG2 4.41Å; F489-I495 HydrophobicContact CD1-CD1 4.01Å; F489-I495 HydrophobicContact CE1-CD1 3.98Å; F489-I495 HydrophobicContact CG-CD1 4.3Å; F489-I495 HydrophobicContact CZ-CD1 4.23Å; I495-I498 HydrophobicContact CB-CD1 4.17Å; I495-I498 HydrophobicContact CB-CG1 4.46Å; I495-I498 HydrophobicContact CG2-CD1 4.08Å; I495-I498 HydrophobicContact CG2-CG1 3.87Å; I495-V509 WeakPolarHBondContact CA-O 3.39Å; I495-C510 HydrophobicContact CG1-CB 4Å; I495-F517 HydrophobicContact CD1-CD2 4.17Å; I495-F517 HydrophobicContact CD1-CE1 4.4Å; I495-F517 HydrophobicContact CD1-CE2 4Å; I495-F517 HydrophobicContact CD1-CG 4.47Å; I495-F517 HydrophobicContact CD1-CZ 4.1Å; I495-F517 HydrophobicContact CG2-CE1 3.68Å; I495-F517 HydrophobicContact CG2-CZ 3.8Å; I495-V522 HydrophobicContact CD1-CG1 3.51Å |
| 496 | T | 95.6 | Very high | 95 | Very high | 31 Ų | 31 | 59.8 Ų | 59.8 | 19% | 0.19 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 164.3 | -175.2 | 54.4 | 0 | 0 | 0 | 0 | 110.6 | T472 I494 I498 V509 | T472-T496 HydrophobicContact CG2-CG2 4.12Å; I494-T496 HydrophobicContact CG2-CG2 4.06Å; T496-I498 VanDerWaalsContact C-N 3.3Å; T496-I498 PolarHBondContact O-N 2.9Å; T496-V509 PolarHBondContact N-O 2.83Å; T496-V509 PolarHBondContact O-N 3.49Å; T496-V509 PolarHBondContact OG1-O 2.84Å |
| 497 | N | 92.7 | Very high | 95 | Very high | 17 Ų | 17 | 61.7 Ų | 61.7 | 9% | 0.091 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 56.5 | 44.6 | 176.2 | -60.8 | 77.9 | 0 | 0 | 0 | 112.4 | Y465 L469 E499 V509 | Y465-N497 HydrophobicContact CD1-CB 4.44Å; Y465-N497 WeakPolarHBondContact CD1-ND2 3.36Å; Y465-N497 HydrophobicContact CE1-CB 4.03Å; Y465-N497 VanDerWaalsContact CE1-ND2 3.27Å; Y465-N497 WeakPolarHBondContact CE1-ND2 3.27Å; L469-N497 PolarHBondContact O-N 3.3Å; N497-E499 PolarHBondContact O-N 3.49Å; N497-V509 HydrophobicContact CB-CG2 4.35Å |
| 498 | I | 94.6 | Very high | 94.9 | Very high | 12 Ų | 12 | 61.6 Ų | 61.6 | 6% | 0.062 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 125.2 | -174.5 | -60.8 | 174.4 | 0 | 0 | 0 | 110.8 | V471 A473 I495 T496 W506 R507 F517 | V471-I498 HydrophobicContact CB-CB 4.21Å; V471-I498 HydrophobicContact CG1-CB 4.38Å; V471-I498 WeakPolarHBondContact O-CB 3.5Å; V471-I498 WeakPolarHBondContact O-CG1 3.32Å; V471-I498 PolarHBondContact O-N 3.3Å; V471-I498 VanDerWaalsContact O-N 3.08Å; A473-I498 HydrophobicContact CB-CD1 3.23Å; A473-I498 VanDerWaalsContact N-CD1 3.29Å; I495-I498 HydrophobicContact CB-CD1 4.17Å; I495-I498 HydrophobicContact CB-CG1 4.46Å; I495-I498 HydrophobicContact CG2-CD1 4.08Å; I495-I498 HydrophobicContact CG2-CG1 3.87Å; T496-I498 VanDerWaalsContact C-N 3.3Å; T496-I498 PolarHBondContact O-N 2.9Å; I498-W506 HydrophobicContact CG2-CB 4.02Å; I498-W506 HydrophobicContact CG2-CD2 4.16Å; I498-W506 HydrophobicContact CG2-CE3 3.77Å; I498-W506 HydrophobicContact CG2-CG 4.3Å; I498-R507 CarbonylContact C-O 3.54Å; I498-R507 WeakPolarHBondContact CA-O 3.31Å; I498-F517 HydrophobicContact CD1-CZ 4.21Å; I498-F517 HydrophobicContact CG1-CZ 4.19Å; I498-F517 HydrophobicContact CG2-CZ 4.2Å |
| 499 | E | 93.4 | Very high | 94.9 | Very high | 75 Ų | 75 | 60.9 Ų | 60.9 | 35% | 0.35 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 115.2 | 171.2 | -67.8 | 176.5 | -171.9 | 0 | 0 | 109.1 | N497 I501 R507 | N497-E499 PolarHBondContact O-N 3.49Å; E499-I501 PolarHBondContact O-N 3.39Å; E499-R507 PolarHBondContact N-O 3.41Å; E499-R507 PolarHBondContact O-N 3.07Å; E499-R507 IonicContact OE2-CZ 3.42Å; E499-R507 IonicContact OE2-NE 3.37Å; E499-R507 PolarHBondContact OE2-NE 3.29Å; E499-R507 IonicContact OE2-NH2 3.77Å; E499-R507 PolarHBondContact OE2-NH2 3.27Å |
| 500 | M | 92.3 | Very high | 94.7 | Very high | 126 Ų | 126 | 60.9 Ų | 60.9 | 62% | 0.621 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 97.7 | 176.7 | -59.7 | 177.2 | -73.3 | 0 | 0 | 109.1 | W506 | M500-W506 HydrophobicContact CB-CG 4.5Å; M500-W506 HydrophobicContact CG-CD2 4.02Å; M500-W506 HydrophobicContact CG-CG 4.17Å; M500-W506 HydrophobicContact CG-CZ2 4.19Å; M500-W506 HydrophobicContact SD-CZ2 4.14Å |
| 501 | I | 91.2 | Very high | 94.4 | Very high | 84 Ų | 84 | 65 Ų | 65 | 43% | 0.431 | 32% | 0.318 | S | S | . | . | trans | -75.9 | -46.1 | 179.3 | -58.4 | 166.4 | 0 | 0 | 0 | 109.6 | E499 R507 L516 | E499-I501 PolarHBondContact O-N 3.39Å; I501-R507 HydrophobicContact CD1-CB 3.68Å; I501-R507 VanDerWaalsContact CD1-NH1 3.26Å; I501-R507 HydrophobicContact CG1-CB 4.35Å; I501-L516 HydrophobicContact CD1-CD2 3.38Å | ||
| 502 | D | 92.4 | Very high | 94.1 | Very high | 83 Ų | 83 | 65.6 Ų | 65.6 | 44% | 0.444 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -145.5 | -173 | 174.3 | 69 | 37.1 | 0 | 0 | 0 | 112 | G504 W505 W506 | D502-G504 VanDerWaalsContact C-N 3.3Å; D502-G504 PolarHBondContact O-N 2.99Å; D502-G504 WeakPolarHBondContact OD1-CA 3.43Å; D502-G504 PolarHBondContact OD1-N 3.44Å; D502-W505 PolarHBondContact N-O 3.32Å; D502-W505 PolarHBondContact OD1-N 2.9Å; D502-W506 PolarHBondContact O-NE1 2.88Å |
| 503 | E | 90.9 | Very high | 94 | Very high | 192 Ų | 192 | 61.7 Ų | 61.7 | 90% | 0.897 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -72.5 | -19.3 | -178.3 | -64.7 | -179.4 | 178.4 | 0 | 0 | 113.8 | ||
| 504 | G | 94.7 | Very high | 93.9 | Very high | 25 Ų | 25 | 65.5 Ų | 65.5 | 26% | 0.258 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -110.8 | -25.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D502 P518 A519 | D502-G504 VanDerWaalsContact C-N 3.3Å; D502-G504 PolarHBondContact O-N 2.99Å; D502-G504 WeakPolarHBondContact OD1-CA 3.43Å; D502-G504 PolarHBondContact OD1-N 3.44Å; G504-P518 CarbonylContact O-C 3.53Å; G504-P518 VanDerWaalsContact O-CA 3.28Å; G504-P518 WeakPolarHBondContact O-CA 3.37Å; G504-A519 PolarHBondContact O-N 3.38Å |
| 505 | W | 95.7 | Very high | 93.9 | Very high | 96 Ų | 96 | 60.9 Ų | 60.9 | 36% | 0.364 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 120.3 | -170.3 | -69.7 | 91.1 | 0 | 0 | 0 | 111 | E486 D502 L516 F517 | E486-W505 HydrophobicContact CG-CZ3 4.35Å; D502-W505 PolarHBondContact N-O 3.32Å; D502-W505 PolarHBondContact OD1-N 2.9Å; W505-L516 HydrophobicContact CE3-CB 4.15Å; W505-L516 HydrophobicContact CZ3-CB 4.46Å; W505-F517 WeakPolarHBondContact CA-O 3.4Å |
| 506 | W | 96.6 | Very high | 93.9 | Very high | 33 Ų | 33 | 62.8 Ų | 62.8 | 13% | 0.125 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 162.8 | 174.7 | -62.5 | -9.1 | 0 | 0 | 0 | 109.8 | I498 M500 D502 L516 F517 A519 V522 V524 | I498-W506 HydrophobicContact CG2-CB 4.02Å; I498-W506 HydrophobicContact CG2-CD2 4.16Å; I498-W506 HydrophobicContact CG2-CE3 3.77Å; I498-W506 HydrophobicContact CG2-CG 4.3Å; M500-W506 HydrophobicContact CB-CG 4.5Å; M500-W506 HydrophobicContact CG-CD2 4.02Å; M500-W506 HydrophobicContact CG-CG 4.17Å; M500-W506 HydrophobicContact CG-CZ2 4.19Å; M500-W506 HydrophobicContact SD-CZ2 4.14Å; D502-W506 PolarHBondContact O-NE1 2.88Å; W506-L516 CarbonylContact O-C 3.48Å; W506-L516 WeakPolarHBondContact O-CA 3.45Å; W506-F517 HydrophobicContact CB-CE1 4.16Å; W506-F517 HydrophobicContact CB-CE2 3.88Å; W506-F517 HydrophobicContact CB-CZ 3.69Å; W506-F517 HydrophobicContact CE3-CE2 4.07Å; W506-F517 HydrophobicContact CE3-CZ 4.31Å; W506-F517 PolarHBondContact N-O 3.48Å; W506-F517 WeakPolarHBondContact O-CD1 3.3Å; W506-F517 PolarHBondContact O-N 2.95Å; W506-A519 HydrophobicContact CD2-CB 3.69Å; W506-A519 VanDerWaalsContact CE2-CB 3.41Å; W506-A519 HydrophobicContact CE3-CB 4.28Å; W506-A519 HydrophobicContact CG-CB 4.01Å; W506-A519 HydrophobicContact CH2-CB 4.33Å; W506-A519 HydrophobicContact CZ2-CB 3.78Å; W506-V522 HydrophobicContact CE3-CG2 3.78Å; W506-V522 HydrophobicContact CZ3-CG2 3.56Å; W506-V524 HydrophobicContact CH2-CG2 3.33Å; W506-V524 HydrophobicContact CZ3-CG2 3.31Å |
| 507 | R | 95.7 | Very high | 94 | Very high | 79 Ų | 79 | 61.3 Ų | 61.3 | 30% | 0.298 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 138.8 | 176.9 | -178.1 | 170.6 | 65.3 | -137 | 0.3 | 109.5 | I498 E499 I501 Y514 G515 L516 | I498-R507 CarbonylContact C-O 3.54Å; I498-R507 WeakPolarHBondContact CA-O 3.31Å; E499-R507 PolarHBondContact N-O 3.41Å; E499-R507 PolarHBondContact O-N 3.07Å; E499-R507 IonicContact OE2-CZ 3.42Å; E499-R507 IonicContact OE2-NE 3.37Å; E499-R507 PolarHBondContact OE2-NE 3.29Å; E499-R507 IonicContact OE2-NH2 3.77Å; E499-R507 PolarHBondContact OE2-NH2 3.27Å; I501-R507 HydrophobicContact CD1-CB 3.68Å; I501-R507 VanDerWaalsContact CD1-NH1 3.26Å; I501-R507 HydrophobicContact CG1-CB 4.35Å; R507-Y514 VanDerWaalsContact CD-CZ 3.45Å; R507-Y514 VanDerWaalsContact CD-OH 3.3Å; R507-Y514 WeakPolarHBondContact CD-OH 3.27Å; R507-Y514 HydrophobicContact CG-CD2 4.44Å; R507-Y514 HydrophobicContact CG-CE1 3.87Å; R507-Y514 HydrophobicContact CG-CE2 3.79Å; R507-Y514 VanDerWaalsContact CG-CZ 3.49Å; R507-Y514 PolarHBondContact NE-OH 3.37Å; R507-G515 VanDerWaalsContact CA-O 3.32Å; R507-G515 WeakPolarHBondContact CA-O 3.34Å; R507-L516 HydrophobicContact CB-CD2 4.1Å |
| 508 | G | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.2 | -176 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112 | Y514 G515 | G508-Y514 WeakPolarHBondContact O-CA 3.39Å; G508-Y514 VanDerWaalsContact O-CD2 3.31Å; G508-Y514 WeakPolarHBondContact O-CD2 3.47Å; G508-G515 PolarHBondContact N-O 3.03Å; G508-G515 VanDerWaalsContact N-O 3.08Å; G508-G515 PolarHBondContact O-N 3.38Å; G508-G515 VanDerWaalsContact O-N 3.12Å |
| 509 | V | 95.2 | Very high | 94.3 | Very high | 29 Ų | 29 | 61 Ų | 61 | 18% | 0.176 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 122.4 | 178.9 | -175.2 | 0 | 0 | 0 | 0 | 109.4 | I495 T496 N497 A513 Y514 | I495-V509 WeakPolarHBondContact CA-O 3.39Å; T496-V509 PolarHBondContact N-O 2.83Å; T496-V509 PolarHBondContact O-N 3.49Å; T496-V509 PolarHBondContact OG1-O 2.84Å; N497-V509 HydrophobicContact CB-CG2 4.35Å; V509-A513 CarbonylContact C-O 3.48Å; V509-A513 VanDerWaalsContact CA-O 3.29Å; V509-A513 WeakPolarHBondContact CA-O 3.25Å; V509-Y514 HydrophobicContact CG2-CD2 3.59Å; V509-Y514 HydrophobicContact CG2-CE2 4.4Å; V509-Y514 HydrophobicContact CG2-CG 4.41Å |
| 510 | C | 94.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 63.6 Ų | 63.6 | 1% | 0.014 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 130.9 | 169.3 | -166.9 | 0 | 0 | 0 | 0 | 109.5 | I487 I495 G512 A513 | I487-C510 HydrophobicContact CD1-CB 3.79Å; I495-C510 HydrophobicContact CG1-CB 4Å; C510-G512 PolarHBondContact O-N 2.93Å; C510-A513 PolarHBondContact N-O 3.42Å; C510-A513 WeakPolarHBondContact O-CB 3.37Å; C510-A513 PolarHBondContact O-N 3.26Å |
| 511 | R | 91 | Very high | 94.6 | Very high | 165 Ų | 165 | 61.9 Ų | 61.9 | 62% | 0.623 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 30.5 | 179.1 | -60.7 | 175.9 | 176.2 | -178.6 | -1.8 | 114.2 | D490 D493 A513 | D490-R511 IonicContact OD2-CZ 3.42Å; D490-R511 IonicContact OD2-NH1 2.74Å; D490-R511 PolarHBondContact OD2-NH1 3.38Å; D490-R511 IonicContact OD2-NH2 2.74Å; D490-R511 PolarHBondContact OD2-NH2 3.31Å; D493-R511 IonicContact OD1-CZ 3.2Å; D493-R511 IonicContact OD1-NE 2.74Å; D493-R511 PolarHBondContact OD1-NE 2.83Å; D493-R511 IonicContact OD1-NH2 2.79Å; D493-R511 PolarHBondContact OD1-NH2 2.86Å; D493-R511 IonicContact OD2-CZ 2.89Å; D493-R511 IonicContact OD2-NE 3.17Å; D493-R511 PolarHBondContact OD2-NE 3.49Å; D493-R511 IonicContact OD2-NH1 2.94Å; D493-R511 IonicContact OD2-NH2 2.9Å; D493-R511 PolarHBondContact OD2-NH2 3.41Å; R511-A513 VanDerWaalsContact C-N 3.28Å; R511-A513 PolarHBondContact O-N 3.28Å |
| 512 | G | 90.8 | Very high | 94.8 | Very high | 73 Ų | 73 | 58.5 Ų | 58.5 | 75% | 0.753 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.4 | -4.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | C510 | C510-G512 PolarHBondContact O-N 2.93Š|
| 513 | A | 93 | Very high | 95 | Very high | 48 Ų | 48 | 60.1 Ų | 60.1 | 40% | 0.397 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 134.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110 | I487 V509 C510 R511 | I487-A513 HydrophobicContact CG2-CB 3.95Å; V509-A513 CarbonylContact C-O 3.48Å; V509-A513 VanDerWaalsContact CA-O 3.29Å; V509-A513 WeakPolarHBondContact CA-O 3.25Å; C510-A513 PolarHBondContact N-O 3.42Å; C510-A513 WeakPolarHBondContact O-CB 3.37Å; C510-A513 PolarHBondContact O-N 3.26Å; R511-A513 VanDerWaalsContact C-N 3.28Å; R511-A513 PolarHBondContact O-N 3.28Å |
| 514 | Y | 94.8 | Very high | 95.1 | Very high | 105 Ų | 105 | 53.2 Ų | 53.2 | 41% | 0.412 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 131 | 177 | 179.1 | -104.5 | 0 | 0 | 0 | 110.1 | I487 R507 G508 V509 | I487-Y514 VanDerWaalsContact CG2-C 3.48Å; R507-Y514 VanDerWaalsContact CD-CZ 3.45Å; R507-Y514 VanDerWaalsContact CD-OH 3.3Å; R507-Y514 WeakPolarHBondContact CD-OH 3.27Å; R507-Y514 HydrophobicContact CG-CD2 4.44Å; R507-Y514 HydrophobicContact CG-CE1 3.87Å; R507-Y514 HydrophobicContact CG-CE2 3.79Å; R507-Y514 VanDerWaalsContact CG-CZ 3.49Å; R507-Y514 PolarHBondContact NE-OH 3.37Å; G508-Y514 WeakPolarHBondContact O-CA 3.39Å; G508-Y514 VanDerWaalsContact O-CD2 3.31Å; G508-Y514 WeakPolarHBondContact O-CD2 3.47Å; V509-Y514 HydrophobicContact CG2-CD2 3.59Å; V509-Y514 HydrophobicContact CG2-CE2 4.4Å; V509-Y514 HydrophobicContact CG2-CG 4.41Å |
| 515 | G | 95.8 | Very high | 94.8 | Very high | 4 Ų | 4 | 58.8 Ų | 58.8 | 4% | 0.041 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.4 | -172.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | D485 I487 R507 G508 | D485-G515 CarbonylContact O-C 3.54Å; D485-G515 WeakPolarHBondContact O-CA 3.37Å; I487-G515 VanDerWaalsContact CG2-N 3.25Å; R507-G515 VanDerWaalsContact CA-O 3.32Å; R507-G515 WeakPolarHBondContact CA-O 3.34Å; G508-G515 PolarHBondContact N-O 3.03Å; G508-G515 VanDerWaalsContact N-O 3.08Å; G508-G515 PolarHBondContact O-N 3.38Å; G508-G515 VanDerWaalsContact O-N 3.12Å |
| 516 | L | 96.9 | Very high | 93.3 | Very high | 39 Ų | 39 | 66.1 Ų | 66.1 | 20% | 0.204 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 147 | -174.2 | -67.7 | 165.1 | 0 | 0 | 0 | 111.8 | D485 E486 I487 I501 W505 W506 R507 | D485-L516 HydrophobicContact CB-CD1 4.44Å; D485-L516 WeakPolarHBondContact O-CB 3.36Å; D485-L516 PolarHBondContact O-N 2.88Å; E486-L516 CarbonylContact C-O 3.55Å; E486-L516 VanDerWaalsContact CA-O 3.23Å; E486-L516 WeakPolarHBondContact CA-O 3.45Å; E486-L516 HydrophobicContact CG-CB 4.26Å; I487-L516 PolarHBondContact N-O 3.02Å; I501-L516 HydrophobicContact CD1-CD2 3.38Å; W505-L516 HydrophobicContact CE3-CB 4.15Å; W505-L516 HydrophobicContact CZ3-CB 4.46Å; W506-L516 CarbonylContact O-C 3.48Å; W506-L516 WeakPolarHBondContact O-CA 3.45Å; R507-L516 HydrophobicContact CB-CD2 4.1Å |
| 517 | F | 97 | Very high | 93.2 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 155.3 | 172.1 | 62.4 | -86.8 | 0 | 0 | 0 | 111.7 | I487 F489 I495 I498 W505 W506 V522 | I487-F517 HydrophobicContact CD1-CB 4.44Å; I487-F517 HydrophobicContact CD1-CD1 3.53Å; I487-F517 HydrophobicContact CD1-CE1 4.14Å; I487-F517 HydrophobicContact CD1-CG 4.25Å; I487-F517 HydrophobicContact CG1-CB 3.99Å; I487-F517 HydrophobicContact CG1-CD1 3.93Å; I487-F517 HydrophobicContact CG1-CG 4.34Å; F489-F517 HydrophobicContact CE1-CB 3.58Å; F489-F517 HydrophobicContact CE1-CD2 4.3Å; F489-F517 HydrophobicContact CE1-CG 4.05Å; F489-F517 HydrophobicContact CZ-CB 4.22Å; F489-F517 HydrophobicContact CZ-CD2 4.43Å; I495-F517 HydrophobicContact CD1-CD2 4.17Å; I495-F517 HydrophobicContact CD1-CE1 4.4Å; I495-F517 HydrophobicContact CD1-CE2 4Å; I495-F517 HydrophobicContact CD1-CG 4.47Å; I495-F517 HydrophobicContact CD1-CZ 4.1Å; I495-F517 HydrophobicContact CG2-CE1 3.68Å; I495-F517 HydrophobicContact CG2-CZ 3.8Å; I498-F517 HydrophobicContact CD1-CZ 4.21Å; I498-F517 HydrophobicContact CG1-CZ 4.19Å; I498-F517 HydrophobicContact CG2-CZ 4.2Å; W505-F517 WeakPolarHBondContact CA-O 3.4Å; W506-F517 HydrophobicContact CB-CE1 4.16Å; W506-F517 HydrophobicContact CB-CE2 3.88Å; W506-F517 HydrophobicContact CB-CZ 3.69Å; W506-F517 HydrophobicContact CE3-CE2 4.07Å; W506-F517 HydrophobicContact CE3-CZ 4.31Å; W506-F517 PolarHBondContact N-O 3.48Å; W506-F517 WeakPolarHBondContact O-CD1 3.3Å; W506-F517 PolarHBondContact O-N 2.95Å; F517-V522 HydrophobicContact CD2-CG1 3.83Å; F517-V522 HydrophobicContact CD2-CG2 4.45Å; F517-V522 HydrophobicContact CE2-CB 4.35Å; F517-V522 HydrophobicContact CE2-CG1 3.69Å; F517-V522 HydrophobicContact CE2-CG2 3.71Å |
| 518 | P | 96.6 | Very high | 93 | Very high | 13 Ų | 13 | 67.2 Ų | 67.2 | 8% | 0.084 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 129.9 | 179.5 | 26.6 | -34.3 | 0 | 0 | 0 | 112.6 | Y479 G504 N520 Y521 | Y479-P518 HydrophobicContact CD2-CG 3.73Å; Y479-P518 HydrophobicContact CE2-CG 3.65Å; Y479-P518 HydrophobicContact CG-CG 4.28Å; G504-P518 CarbonylContact O-C 3.53Å; G504-P518 VanDerWaalsContact O-CA 3.28Å; G504-P518 WeakPolarHBondContact O-CA 3.37Å; P518-N520 PolarHBondContact O-N 3.04Å; P518-Y521 HydrophobicContact CB-CD2 3.69Å; P518-Y521 HydrophobicContact CB-CE2 4.15Å; P518-Y521 HydrophobicContact CB-CG 4.42Å; P518-Y521 HydrophobicContact CG-CD1 4.37Å; P518-Y521 HydrophobicContact CG-CD2 3.36Å; P518-Y521 HydrophobicContact CG-CE2 3.84Å; P518-Y521 HydrophobicContact CG-CG 3.68Å; P518-Y521 PolarHBondContact O-N 3.12Å; P518-Y521 VanDerWaalsContact O-N 3.15Å |
| 519 | A | 95.9 | Very high | 92.9 | Very high | 9 Ų | 9 | 70.9 Ų | 70.9 | 7% | 0.074 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -60.1 | -31.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | G504 W506 Y521 V522 | G504-A519 PolarHBondContact O-N 3.38Å; W506-A519 HydrophobicContact CD2-CB 3.69Å; W506-A519 VanDerWaalsContact CE2-CB 3.41Å; W506-A519 HydrophobicContact CE3-CB 4.28Å; W506-A519 HydrophobicContact CG-CB 4.01Å; W506-A519 HydrophobicContact CH2-CB 4.33Å; W506-A519 HydrophobicContact CZ2-CB 3.78Å; A519-Y521 PolarHBondContact O-N 3.05Å; A519-V522 WeakPolarHBondContact O-CG2 3.31Å; A519-V522 PolarHBondContact O-N 3.3Å |
| 520 | N | 96.9 | Very high | 92.8 | Very high | 130 Ų | 130 | 73.4 Ų | 73.4 | 70% | 0.695 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -70.2 | -9.6 | -179 | -65 | -43.2 | 0 | 0 | 0 | 114.1 | P518 | P518-N520 PolarHBondContact O-N 3.04Š|
| 521 | Y | 95.9 | Very high | 92.7 | Very high | 91 Ų | 91 | 77.9 Ų | 77.9 | 36% | 0.357 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -94.8 | -2 | -177 | -77.8 | -119.8 | 0 | 0 | 0 | 112.3 | L476 Y477 Y479 P518 A519 | L476-Y521 PolarHBondContact N-O 2.95Å; Y477-Y521 HydrophobicContact CD2-CD1 4.42Å; Y479-Y521 HydrophobicContact CD2-CD1 4.12Å; Y479-Y521 HydrophobicContact CD2-CE1 4.04Å; P518-Y521 HydrophobicContact CB-CD2 3.69Å; P518-Y521 HydrophobicContact CB-CE2 4.15Å; P518-Y521 HydrophobicContact CB-CG 4.42Å; P518-Y521 HydrophobicContact CG-CD1 4.37Å; P518-Y521 HydrophobicContact CG-CD2 3.36Å; P518-Y521 HydrophobicContact CG-CE2 3.84Å; P518-Y521 HydrophobicContact CG-CG 3.68Å; P518-Y521 PolarHBondContact O-N 3.12Å; P518-Y521 VanDerWaalsContact O-N 3.15Å; A519-Y521 PolarHBondContact O-N 3.05Å |
| 522 | V | 95.9 | Very high | 92.8 | Very high | 12 Ų | 12 | 72.1 Ų | 72.1 | 7% | 0.073 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 151.1 | -173 | -50.1 | 0 | 0 | 0 | 0 | 110.8 | A473 V474 F489 I495 W506 F517 A519 | A473-V522 HydrophobicContact CB-CB 3.88Å; A473-V522 HydrophobicContact CB-CG2 3.78Å; V474-V522 CarbonylContact O-C 3.5Å; V474-V522 VanDerWaalsContact O-CA 3.28Å; V474-V522 WeakPolarHBondContact O-CA 3.45Å; F489-V522 HydrophobicContact CE2-CG1 4.31Å; F489-V522 HydrophobicContact CZ-CG1 4.08Å; I495-V522 HydrophobicContact CD1-CG1 3.51Å; W506-V522 HydrophobicContact CE3-CG2 3.78Å; W506-V522 HydrophobicContact CZ3-CG2 3.56Å; F517-V522 HydrophobicContact CD2-CG1 3.83Å; F517-V522 HydrophobicContact CD2-CG2 4.45Å; F517-V522 HydrophobicContact CE2-CB 4.35Å; F517-V522 HydrophobicContact CE2-CG1 3.69Å; F517-V522 HydrophobicContact CE2-CG2 3.71Å; A519-V522 WeakPolarHBondContact O-CG2 3.31Å; A519-V522 PolarHBondContact O-N 3.3Å |
| 523 | E | 96 | Very high | 92.9 | Very high | 117 Ų | 117 | 72 Ų | 72 | 55% | 0.547 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 119.3 | 172.2 | -175 | 176.5 | -165 | 0 | 0 | 109.4 | A473 V474 L476 R525 | A473-E523 CarbonylContact C-O 3.58Å; A473-E523 WeakPolarHBondContact CA-O 3.36Å; A473-E523 WeakPolarHBondContact CB-O 3.49Å; V474-E523 PolarHBondContact N-O 2.88Å; V474-E523 PolarHBondContact O-N 3.37Å; L476-E523 HydrophobicContact CD1-CB 4.15Å; L476-E523 HydrophobicContact CD2-CB 4Å; L476-E523 HydrophobicContact CG-CB 4.09Å; E523-R525 PolarHBondContact O-N 3.45Å |
| 524 | V | 93.6 | Very high | 92.9 | Very high | 47 Ų | 47 | 73.8 Ų | 73.8 | 29% | 0.285 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 127.2 | 179.7 | 179.9 | 0 | 0 | 0 | 0 | 110.4 | V471 A473 W506 Q526 | V471-V524 HydrophobicContact CG1-CG1 3.5Å; V471-V524 VanDerWaalsContact CG1-CG1 3.5Å; A473-V524 HydrophobicContact CB-CG2 4.42Å; W506-V524 HydrophobicContact CH2-CG2 3.33Å; W506-V524 HydrophobicContact CZ3-CG2 3.31Å; V524-Q526 HydrophobicContact CG1-CG 3.95Å |
| 525 | R | 87.4 | Confident | 92.8 | Very high | 142 Ų | 142 | 71.3 Ų | 71.3 | 54% | 0.536 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 106.6 | 168 | -67.6 | -166.9 | 177.3 | 171.3 | 4.1 | 108.4 | T472 V474 E523 | T472-R525 PolarHBondContact O-N 3.15Å; T472-R525 VanDerWaalsContact O-O 3.13Å; T472-R525 PolarHBondContact OG1-O 3.21Å; T472-R525 VanDerWaalsContact OG1-O 3.09Å; V474-R525 HydrophobicContact CG2-CG 4.12Å; E523-R525 PolarHBondContact O-N 3.45Å |
| 526 | Q | 65.4 | Low | 92.5 | Very high | 251 Ų | 251 | 77.4 Ų | 77.4 | 100% | 1.173 | 37% | 0.366 | S | S | * | . | trans | -87.3 | 0 | 173.6 | -69.2 | -172.6 | 5.6 | 0 | 0 | 112 | V524 | V524-Q526 HydrophobicContact CG1-CG 3.95Š|
Retrieved 526 of 526 residues in 191.1 ms
(Link to these results)