| 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 | 44.3 | Very low | 43.4 | Very low | 251 Ų | 251 | 153.5 Ų | 153.5 | 100% | 1.236 | 88% | 0.879 | S | S | * | * | 0 | 90.8 | 0 | -71.3 | 171.7 | 170.9 | 0 | 0 | 107.8 | |||||
| 2 | A | 48.6 | Very low | 43.2 | Very low | 107 Ų | 107 | 157.8 Ų | 157.8 | 88% | 0.884 | 88% | 0.88 | S | S | * | * | trans | -132.9 | 140.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 3 | Q | 43.1 | Very low | 43.2 | Very low | 189 Ų | 189 | 155.3 Ų | 155.3 | 88% | 0.883 | 87% | 0.871 | S | S | * | * | trans | -136.8 | 126.7 | -153.8 | -178.7 | 169.1 | -0.7 | 0 | 0 | 111.1 | ||||
| 4 | A | 45.3 | Very low | 43.5 | Very low | 83 Ų | 83 | 152.1 Ų | 152.1 | 69% | 0.686 | 86% | 0.864 | S | S | * | * | trans | 53.8 | 135.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 5 | M | 45.3 | Very low | 43.7 | Very low | 173 Ų | 173 | 148.9 Ų | 148.9 | 85% | 0.852 | 85% | 0.854 | S | S | * | * | -158.6 | 133.5 | 58.6 | -76.6 | -70.6 | -162.9 | 0 | 0 | 110 | |||||
| 6 | S | 42.6 | Very low | 44 | Very low | 122 Ų | 122 | 144.7 Ų | 144.7 | 85% | 0.853 | 84% | 0.843 | S | S | * | * | trans | -129.8 | 97 | 168.2 | -179 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 7 | V | 50.3 | Low | 44.3 | Very low | 135 Ų | 135 | 143.8 Ų | 143.8 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | -166.6 | 146.6 | 171.2 | -81.1 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 8 | G | 39.1 | Very low | 44.5 | Very low | 76 Ų | 76 | 139.5 Ų | 139.5 | 78% | 0.784 | 82% | 0.817 | S | S | * | * | cis | -166 | 113.6 | -8.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | H10 | G8-H10 PolarHBondContact O-N 3.06Š| ||
| 9 | L | 41.1 | Very low | 44.9 | Very low | 173 Ų | 173 | 137.6 Ų | 137.6 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | trans | -95.8 | 82.5 | -178.8 | -171 | 98.3 | 0 | 0 | 0 | 108.8 | ||||
| 10 | H | 38.9 | Very low | 44.6 | Very low | 185 Ų | 185 | 140.3 Ų | 140.3 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | -176.7 | 71.4 | 168.7 | -120.1 | -111 | 0 | 0 | 0 | 113.8 | G8 | G8-H10 PolarHBondContact O-N 3.06Š| ||
| 11 | Q | 39.3 | Very low | 44.8 | Very low | 194 Ų | 194 | 137.1 Ų | 137.1 | 91% | 0.907 | 79% | 0.789 | S | S | * | * | trans | -166 | 83.9 | 164.5 | -117.4 | 160.3 | 14.6 | 0 | 0 | 114.1 | ||||
| 12 | K | 41 | Very low | 44.8 | Very low | 205 Ų | 205 | 130.4 Ų | 130.4 | 89% | 0.891 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -162.7 | 0.2 | 159.5 | -118.8 | 166 | -177.8 | -177.5 | 0 | 117.6 | ||
| 13 | V | 43.6 | Very low | 44.6 | Very low | 126 Ų | 126 | 131.1 Ų | 131.1 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -101 | -2.6 | -173.2 | -137.7 | 0 | 0 | 0 | 0 | 114.9 | ||
| 14 | S | 46.8 | Very low | 45.1 | Very low | 110 Ų | 110 | 129.4 Ų | 129.4 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -98.6 | -0.3 | -168.7 | -51.8 | 0 | 0 | 0 | 0 | 115.9 | ||
| 15 | S | 46.4 | Very low | 45.2 | Very low | 104 Ų | 104 | 131.9 Ų | 131.9 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -91.5 | -30.1 | -175.3 | -160.4 | 0 | 0 | 0 | 0 | 114.1 | I17 | S15-I17 PolarHBondContact O-N 2.84Š|
| 16 | A | 48.2 | Very low | 45.3 | Very low | 82 Ų | 82 | 131 Ų | 131 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -79.4 | -16.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | T19 | A16-T19 PolarHBondContact O-OG1 2.74Š|
| 17 | I | 49.4 | Very low | 45.4 | Very low | 130 Ų | 130 | 133.3 Ų | 133.3 | 67% | 0.667 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -87.7 | -22.9 | -175.1 | -60.6 | 173.4 | 0 | 0 | 0 | 111.5 | S15 | S15-I17 PolarHBondContact O-N 2.84Š|
| 18 | A | 48.4 | Very low | 44.9 | Very low | 66 Ų | 66 | 132.3 Ų | 132.3 | 55% | 0.545 | 72% | 0.721 | S | S | . | * | H | α-helix | trans | -71 | -31 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L22 | A18-L22 PolarHBondContact O-N 2.81Å |
| 19 | T | 51.4 | Low | 44.8 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 64% | 0.638 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -73.6 | -32.9 | -176 | 45.2 | 0 | 0 | 0 | 0 | 113.3 | A16 | A16-T19 PolarHBondContact O-OG1 2.74Å |
| 20 | W | 40 | Very low | 44.8 | Very low | 191 Ų | 191 | 132 Ų | 132 | 72% | 0.723 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -80.2 | -30.4 | -179.1 | -134 | 20.2 | 0 | 0 | 0 | 112.9 | ||
| 21 | S | 47.2 | Very low | 44.6 | Very low | 73 Ų | 73 | 128.6 Ų | 128.6 | 51% | 0.51 | 72% | 0.718 | S | S | . | * | H | α-helix | trans | -71 | -35.5 | 176 | -169.5 | 0 | 0 | 0 | 0 | 112.8 | L23 | S21-L23 VanDerWaalsContact C-N 3.33Å; S21-L23 PolarHBondContact O-N 3.23Å |
| 22 | L | 45.2 | Very low | 44.6 | Very low | 111 Ų | 111 | 127 Ų | 127 | 58% | 0.581 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -70 | -28.7 | -179.4 | -168.4 | 62.7 | 0 | 0 | 0 | 113 | A18 | A18-L22 PolarHBondContact O-N 2.81Å |
| 23 | L | 44.8 | Very low | 44.6 | Very low | 122 Ų | 122 | 126.6 Ų | 126.6 | 64% | 0.639 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -77.3 | -24.1 | -177.1 | -167.3 | 60.8 | 0 | 0 | 0 | 113.5 | S21 | S21-L23 VanDerWaalsContact C-N 3.33Å; S21-L23 PolarHBondContact O-N 3.23Å |
| 24 | Q | 53.2 | Low | 44.6 | Very low | 153 Ų | 153 | 127.2 Ų | 127.2 | 72% | 0.715 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -85 | -21.6 | 175.8 | -73.4 | -165.1 | 1.2 | 0 | 0 | 114.1 | Q26 | Q24-Q26 PolarHBondContact O-N 3.1Å |
| 25 | Q | 48.2 | Very low | 44.7 | Very low | 134 Ų | 134 | 127.9 Ų | 127.9 | 63% | 0.626 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -78.2 | -16.6 | -177.4 | -73.1 | -172.2 | 0.6 | 0 | 0 | 114.6 | H27 | Q25-H27 PolarHBondContact O-N 2.75Å |
| 26 | Q | 46.2 | Very low | 44.2 | Very low | 156 Ų | 156 | 131.4 Ų | 131.4 | 73% | 0.729 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -9 | -175.7 | -66.3 | -160.8 | -9.2 | 0 | 0 | 115.2 | Q24 | Q24-Q26 PolarHBondContact O-N 3.1Š|
| 27 | H | 43.8 | Very low | 44.1 | Very low | 170 Ų | 170 | 132.9 Ų | 132.9 | 79% | 0.787 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | 5.1 | -178.3 | -76.9 | -77.9 | 0 | 0 | 0 | 115.2 | Q25 | Q25-H27 PolarHBondContact O-N 2.75Š|
| 28 | T | 41.1 | Very low | 43.8 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -134.6 | 64.3 | 179.6 | 59.4 | 0 | 0 | 0 | 0 | 112.5 | ||
| 29 | S | 36.9 | Very low | 43.4 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | trans | -152.5 | 82.1 | 170 | -84.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 30 | S | 39.9 | Very low | 42.6 | Very low | 133 Ų | 133 | 140 Ų | 140 | 93% | 0.93 | 76% | 0.761 | S | S | * | * | trans | -153.4 | 89.2 | 158.3 | -80.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 31 | S | 36.1 | Very low | 42.7 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | trans | -119.7 | 159.4 | 177 | -176.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 32 | L | 38 | Very low | 42.5 | Very low | 162 Ų | 162 | 139.4 Ų | 139.4 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | trans | 91.8 | 120.7 | -174.3 | -54.2 | 161 | 0 | 0 | 0 | 112.5 | ||||
| 33 | K | 42.7 | Very low | 42.4 | Very low | 196 Ų | 196 | 142.7 Ų | 142.7 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | cis | -166.8 | 131 | 38.4 | -153.1 | 160.5 | -175.2 | 168 | 0 | 110.8 | ||||
| 34 | V | 42 | Very low | 42.4 | Very low | 138 Ų | 138 | 141.9 Ų | 141.9 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | trans | -131.1 | 130.1 | 168.7 | 178.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 35 | P | 49.6 | Very low | 41.9 | Very low | 125 Ų | 125 | 146.6 Ų | 146.6 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | trans | -89.4 | 144.5 | 172.3 | 34 | -31 | 0 | 0 | 0 | 112.1 | ||||
| 36 | E | 36.8 | Very low | 41.7 | Very low | 177 Ų | 177 | 143.7 Ų | 143.7 | 83% | 0.827 | 81% | 0.809 | S | S | * | * | trans | -98.7 | 138.6 | -175.9 | -179.3 | -167.5 | 128.6 | 0 | 0 | 111.9 | ||||
| 37 | S | 45.8 | Very low | 41.5 | Very low | 114 Ų | 114 | 142.7 Ų | 142.7 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | -156.2 | 88.9 | 159.7 | 63.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 38 | R | 41.9 | Very low | 41.6 | Very low | 225 Ų | 225 | 140.2 Ų | 140.2 | 85% | 0.849 | 81% | 0.81 | S | S | * | * | trans | 27.9 | 131.3 | 144.2 | -85.6 | 178.7 | 161.7 | 167.1 | -4.9 | 123.5 | ||||
| 39 | A | 39.8 | Very low | 42 | Very low | 100 Ų | 100 | 141.1 Ų | 141.1 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | trans | 68.8 | 151.9 | 141.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 40 | C | 36 | Very low | 42.2 | Very low | 125 Ų | 125 | 141.5 Ų | 141.5 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | cis | -146.3 | 162.5 | 7.7 | -160.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 41 | V | 41.7 | Very low | 42.6 | Very low | 119 Ų | 119 | 144.6 Ų | 144.6 | 72% | 0.721 | 80% | 0.8 | S | S | * | * | trans | -103.7 | 144.8 | -179.8 | -178.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 42 | P | 42.5 | Very low | 43.1 | Very low | 132 Ų | 132 | 146 Ų | 146 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | -139 | 163.7 | 116.2 | 20 | 1.7 | 0 | 0 | 0 | 115.2 | |||||
| 43 | Q | 43.5 | Very low | 43.4 | Very low | 179 Ų | 179 | 143.6 Ų | 143.6 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | -96.6 | 176.2 | -170.8 | -101.3 | -133.7 | 9.6 | 0 | 0 | 114.5 | ||||
| 44 | P | 45.1 | Very low | 43.7 | Very low | 105 Ų | 105 | 139.2 Ų | 139.2 | 68% | 0.682 | 79% | 0.787 | S | S | * | * | trans | -103.2 | 172.7 | -155.5 | 40.7 | -36.7 | 0 | 0 | 0 | 116 | ||||
| 45 | R | 43.1 | Very low | 43.9 | Very low | 253 Ų | 253 | 140.2 Ų | 140.2 | 96% | 0.955 | 79% | 0.786 | S | S | * | * | trans | -140.6 | 140.4 | 154.1 | -81.7 | -173.5 | 169 | 166.1 | -3.4 | 109.4 | ||||
| 46 | G | 42.3 | Very low | 43.7 | Very low | 72 Ų | 72 | 139.5 Ų | 139.5 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | trans | -113.1 | -167.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 47 | V | 43.3 | Very low | 43.9 | Very low | 135 Ų | 135 | 137 Ų | 137 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | 169.9 | 105.5 | 152.6 | 147.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 48 | V | 45 | Very low | 43.6 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | 78.4 | 141.9 | 99.7 | -156.9 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 49 | T | 50 | Low | 43.2 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | 78.1 | 143.1 | 169.6 | 66 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 50 | D | 41.7 | Very low | 43 | Very low | 117 Ų | 117 | 131.6 Ų | 131.6 | 63% | 0.626 | 77% | 0.772 | S | S | * | * | cis | -164.7 | 157.4 | -25 | -167 | -130.9 | 0 | 0 | 0 | 109.3 | ||||
| 51 | R | 47.5 | Very low | 43 | Very low | 199 Ų | 199 | 130.2 Ų | 130.2 | 75% | 0.751 | 77% | 0.77 | S | S | * | * | trans | 75 | 138.5 | 154.3 | -99.8 | 175.1 | -173.7 | 107.1 | -5.8 | 125.5 | ||||
| 52 | D | 46.2 | Very low | 42.7 | Very low | 142 Ų | 142 | 129.3 Ų | 129.3 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | trans | 83.6 | 113.5 | 148.7 | -58.8 | -38.7 | 0 | 0 | 0 | 123.2 | ||||
| 53 | S | 45.7 | Very low | 42.6 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | trans | -84.8 | -166.3 | 169 | -40.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 54 | P | 47.5 | Very low | 42.3 | Very low | 104 Ų | 104 | 126.3 Ų | 126.3 | 68% | 0.675 | 78% | 0.777 | S | S | * | * | cis | -136.9 | 165.3 | -12.6 | 26.8 | -2.5 | 0 | 0 | 0 | 116.8 | ||||
| 55 | I | 47 | Very low | 41.9 | Very low | 159 Ų | 159 | 125.7 Ų | 125.7 | 82% | 0.815 | 78% | 0.781 | S | S | * | * | trans | 43.2 | 144 | 130.2 | -53.1 | 168.1 | 0 | 0 | 0 | 120.4 | ||||
| 56 | P | 45.3 | Very low | 41.6 | Very low | 109 Ų | 109 | 118.1 Ų | 118.1 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | cis | -134.7 | -163.2 | -31.1 | 40.4 | -20.5 | 0 | 0 | 0 | 112.4 | ||||
| 57 | T | 40.7 | Very low | 41.4 | Very low | 126 Ų | 126 | 121.1 Ų | 121.1 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | 157.5 | 127.2 | 124.6 | -66.2 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 58 | A | 40.4 | Very low | 41.3 | Very low | 80 Ų | 80 | 118.8 Ų | 118.8 | 66% | 0.661 | 77% | 0.77 | S | S | * | * | trans | 55.8 | 124 | 150.1 | 0 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 59 | C | 32.1 | Very low | 40.9 | Very low | 125 Ų | 125 | 117.7 Ų | 117.7 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | 71.8 | 121.9 | 124 | -67.4 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 60 | S | 36 | Very low | 40.4 | Very low | 119 Ų | 119 | 119.7 Ų | 119.7 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | 71.8 | 108.6 | 128.3 | -171.6 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 61 | A | 36.2 | Very low | 40.3 | Very low | 97 Ų | 97 | 118.2 Ų | 118.2 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | -169.3 | 145.3 | 118 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 62 | A | 35.4 | Very low | 39.9 | Very low | 100 Ų | 100 | 118.6 Ų | 118.6 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | trans | -93.4 | 153 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 63 | T | 39.9 | Very low | 39.8 | Very low | 149 Ų | 149 | 117 Ų | 117 | 91% | 0.914 | 77% | 0.773 | S | S | * | * | trans | -139.4 | 139.6 | 157.9 | -57.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 64 | A | 37.3 | Very low | 39.5 | Very low | 98 Ų | 98 | 116.9 Ų | 116.9 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | trans | -116.3 | 156.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 65 | A | 36.6 | Very low | 39.1 | Very low | 93 Ų | 93 | 118.1 Ų | 118.1 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -155.1 | 115.2 | 152.9 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 66 | A | 38.9 | Very low | 38.8 | Very low | 94 Ų | 94 | 115.5 Ų | 115.5 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | 63.1 | 127.3 | 81.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 67 | V | 37.8 | Very low | 38.5 | Very low | 134 Ų | 134 | 115.6 Ų | 115.6 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | cis | -153.9 | 129.6 | 40.3 | 171.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 68 | A | 39.9 | Very low | 38.4 | Very low | 86 Ų | 86 | 114.5 Ų | 114.5 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | 47.2 | 142.7 | 106.3 | 0 | 0 | 0 | 0 | 0 | 117 | |||||
| 69 | C | 37.8 | Very low | 38.4 | Very low | 97 Ų | 97 | 118.2 Ų | 118.2 | 66% | 0.655 | 78% | 0.775 | S | S | * | * | cis | -152 | 141.8 | 32.1 | -79 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 70 | Q | 39.2 | Very low | 38.7 | Very low | 174 Ų | 174 | 119.6 Ų | 119.6 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | 62.1 | 146.7 | 101.9 | -55.8 | -176.3 | 82.8 | 0 | 0 | 118.6 | |||||
| 71 | S | 39.5 | Very low | 38.7 | Very low | 85 Ų | 85 | 118.3 Ų | 118.3 | 59% | 0.594 | 76% | 0.76 | S | S | * | * | cis | 179.9 | 140.3 | -36.9 | 52.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 72 | K | 39.3 | Very low | 38.8 | Very low | 207 Ų | 207 | 119.4 Ų | 119.4 | 90% | 0.9 | 76% | 0.762 | S | S | * | * | trans | 73.4 | 141 | 147.4 | -67 | 166.5 | 179.4 | -178.3 | 0 | 122.6 | ||||
| 73 | S | 42.8 | Very low | 38.9 | Very low | 108 Ų | 108 | 119.1 Ų | 119.1 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | trans | -98.1 | 168.8 | 159.4 | 56.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 74 | P | 41.2 | Very low | 38.9 | Very low | 111 Ų | 111 | 119.6 Ų | 119.6 | 72% | 0.721 | 75% | 0.75 | S | S | * | * | -162.4 | 156.6 | 89.6 | 43.1 | -22.3 | 0 | 0 | 0 | 120.1 | |||||
| 75 | V | 38.5 | Very low | 38.8 | Very low | 130 Ų | 130 | 127 Ų | 127 | 79% | 0.788 | 76% | 0.757 | S | S | * | * | 52.7 | 121.5 | 130 | 94.3 | 0 | 0 | 0 | 0 | 125.9 | |||||
| 76 | S | 39.3 | Very low | 38.9 | Very low | 103 Ų | 103 | 127.5 Ų | 127.5 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | trans | 80 | 135.2 | 134.1 | -84.5 | 0 | 0 | 0 | 0 | 126.9 | ||||
| 77 | S | 39.5 | Very low | 39 | Very low | 112 Ų | 112 | 128.8 Ų | 128.8 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | trans | 87.1 | 145.1 | 153.8 | -44 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 78 | S | 40 | Very low | 38.7 | Very low | 102 Ų | 102 | 130.5 Ų | 130.5 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | cis | -171.2 | 163.3 | -21.2 | -90.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 79 | Q | 39.9 | Very low | 38.7 | Very low | 158 Ų | 158 | 131.7 Ų | 131.7 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | trans | 83.4 | 145.8 | 155.2 | -39 | -163.7 | -76.7 | 0 | 0 | 122.2 | ||||
| 80 | H | 37.3 | Very low | 38.4 | Very low | 154 Ų | 154 | 135.4 Ų | 135.4 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | trans | 71.8 | 147.4 | 159.7 | -39.3 | -60.3 | 0 | 0 | 0 | 118.7 | ||||
| 81 | S | 37.6 | Very low | 38.3 | Very low | 93 Ų | 93 | 132.5 Ų | 132.5 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | cis | -173.5 | 134.9 | -22.7 | -94.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 82 | S | 37.6 | Very low | 37.9 | Very low | 120 Ų | 120 | 137.1 Ų | 137.1 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | trans | 62.1 | 165.9 | 163.4 | 78 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 83 | S | 36.6 | Very low | 37.9 | Very low | 94 Ų | 94 | 139.3 Ų | 139.3 | 66% | 0.657 | 78% | 0.776 | S | S | * | * | cis | -158 | 138.3 | 2.4 | -140.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 84 | L | 41.5 | Very low | 37.7 | Very low | 158 Ų | 158 | 139.1 Ų | 139.1 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | trans | 42.7 | 110.2 | 142.2 | -55.7 | 171.4 | 0 | 0 | 0 | 121.4 | ||||
| 85 | R | 35.1 | Very low | 37.3 | Very low | 253 Ų | 253 | 139.1 Ų | 139.1 | 96% | 0.955 | 77% | 0.774 | S | S | * | * | -174 | 130.3 | 111.6 | -115.4 | 179.1 | 170.2 | -169.4 | -4.5 | 114.6 | |||||
| 86 | S | 36.9 | Very low | 37.1 | Very low | 104 Ų | 104 | 141.9 Ų | 141.9 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -97 | 165.2 | 156.7 | -51.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 87 | P | 41.3 | Very low | 36.9 | Very low | 121 Ų | 121 | 143.2 Ų | 143.2 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | -138.3 | 142.1 | 86.2 | 23.4 | -2.1 | 0 | 0 | 0 | 113.5 | |||||
| 88 | Q | 33 | Very low | 37 | Very low | 170 Ų | 170 | 145.7 Ų | 145.7 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | 61.5 | 103.5 | 80.7 | -81.7 | -164.2 | -79.9 | 0 | 0 | 117.5 | |||||
| 89 | S | 39.8 | Very low | 36.9 | Very low | 111 Ų | 111 | 146.8 Ų | 146.8 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | 180 | 93.1 | 138.2 | 57 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 90 | E | 31.4 | Very low | 37.1 | Very low | 175 Ų | 175 | 147.7 Ų | 147.7 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | 63.1 | 101.4 | 89.1 | -65.5 | -161.5 | 148.1 | 0 | 0 | 115.7 | |||||
| 91 | S | 36.2 | Very low | 37.6 | Very low | 113 Ų | 113 | 149.3 Ų | 149.3 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -173.7 | 73.3 | 161.8 | -77.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 92 | K | 31.3 | Very low | 37.4 | Very low | 183 Ų | 183 | 154.5 Ų | 154.5 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | 44.4 | 82.1 | 93 | -163.5 | 173.3 | -175.5 | 174.7 | 0 | 114.6 | |||||
| 93 | W | 39.5 | Very low | 37.2 | Very low | 253 Ų | 253 | 152 Ų | 152 | 96% | 0.958 | 80% | 0.801 | S | S | * | * | trans | -122.6 | 131.1 | 145.8 | -82.3 | 90.8 | 0 | 0 | 0 | 108.8 | ||||
| 94 | T | 38.3 | Very low | 37 | Very low | 104 Ų | 104 | 152.8 Ų | 152.8 | 64% | 0.638 | 81% | 0.806 | S | S | * | * | trans | -119.8 | 136.7 | -173 | 45.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 95 | S | 32.8 | Very low | 36.6 | Very low | 111 Ų | 111 | 150.8 Ų | 150.8 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | 62.9 | 96.4 | 141.9 | -160.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 96 | F | 33.3 | Very low | 36.7 | Very low | 188 Ų | 188 | 146.1 Ų | 146.1 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -157.3 | 100.5 | 134 | -142.4 | -95 | 0 | 0 | 0 | 104.4 | ||||
| 97 | D | 36.9 | Very low | 36.6 | Very low | 130 Ų | 130 | 149 Ų | 149 | 70% | 0.695 | 80% | 0.799 | S | S | * | * | 60.8 | 81.6 | 76 | -147.5 | -92.4 | 0 | 0 | 0 | 112.3 | |||||
| 98 | E | 40.8 | Very low | 36.3 | Very low | 165 Ų | 165 | 151.7 Ų | 151.7 | 77% | 0.771 | 80% | 0.801 | S | S | * | * | trans | -163.7 | 130.8 | 134.7 | -108.8 | 172 | 121.4 | 0 | 0 | 107.7 | ||||
| 99 | S | 37.5 | Very low | 36.3 | Very low | 125 Ų | 125 | 150.8 Ų | 150.8 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -100.3 | 94.9 | -179.7 | -63.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 100 | E | 43.6 | Very low | 36 | Very low | 176 Ų | 176 | 149.3 Ų | 149.3 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -85.7 | 117.4 | 172.3 | -60.4 | -166.4 | 141 | 0 | 0 | 109 | ||||
| 101 | E | 47.6 | Very low | 36.1 | Very low | 188 Ų | 188 | 145 Ų | 145 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | trans | -70.3 | 139.9 | 177.7 | -64.5 | -163.1 | 140.4 | 0 | 0 | 111 | G103 | E101-G103 PolarHBondContact O-N 2.92Š| ||
| 102 | E | 33.8 | Very low | 36.2 | Very low | 203 Ų | 203 | 143.4 Ų | 143.4 | 95% | 0.949 | 77% | 0.766 | S | S | * | * | trans | -71.4 | 71.3 | 174.6 | -71.4 | -111.6 | 135.5 | 0 | 0 | 111.2 | S104 | E102-S104 PolarHBondContact O-N 3.46Š| ||
| 103 | G | 33.1 | Very low | 36.8 | Very low | 68 Ų | 68 | 142.8 Ų | 142.8 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | trans | -72.1 | 107.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | E101 S105 | E101-G103 PolarHBondContact O-N 2.92Å; G103-S105 PolarHBondContact O-N 2.91Å | ||
| 104 | S | 33.3 | Very low | 37 | Very low | 109 Ų | 109 | 135.8 Ų | 135.8 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | trans | -64.5 | 83.7 | -172.6 | 173.8 | 0 | 0 | 0 | 0 | 115.2 | E102 I106 | E102-S104 PolarHBondContact O-N 3.46Å; S104-I106 PolarHBondContact O-N 3.47Å; S104-I106 VanDerWaalsContact O-N 3.13Å | ||
| 105 | S | 32.4 | Very low | 37.2 | Very low | 117 Ų | 117 | 138.9 Ų | 138.9 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 41.5 | 52.6 | 137.6 | -57.1 | 0 | 0 | 0 | 0 | 120 | G103 | G103-S105 PolarHBondContact O-N 2.91Š|
| 106 | I | 38.3 | Very low | 37.9 | Very low | 154 Ų | 154 | 139.7 Ų | 139.7 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | trans | -138 | 58.3 | 163.5 | -46.8 | -179.4 | 0 | 0 | 0 | 111.2 | S104 | S104-I106 PolarHBondContact O-N 3.47Å; S104-I106 VanDerWaalsContact O-N 3.13Å | ||
| 107 | E | 35.1 | Very low | 38.8 | Very low | 165 Ų | 165 | 131.4 Ų | 131.4 | 77% | 0.771 | 72% | 0.715 | S | S | * | * | trans | -135.7 | 13.8 | -174.7 | -82.5 | -77.5 | 107.9 | 0 | 0 | 114.1 | ||||
| 108 | Q | 34.8 | Very low | 39.5 | Very low | 177 Ų | 177 | 127.2 Ų | 127.2 | 83% | 0.827 | 69% | 0.692 | S | S | * | * | trans | -131.9 | 40.2 | -169.5 | -66.2 | -157.6 | -32.9 | 0 | 0 | 116.7 | ||||
| 109 | L | 32.4 | Very low | 39.9 | Very low | 151 Ų | 151 | 125.1 Ų | 125.1 | 79% | 0.791 | 69% | 0.693 | S | S | * | * | trans | -126.7 | 67.4 | 167.8 | -65.4 | -178.4 | 0 | 0 | 0 | 111 | P297 | L109-P297 HydrophobicContact CD2-CB 4.09Å; L109-P297 HydrophobicContact CD2-CG 3.19Å | ||
| 110 | S | 33.9 | Very low | 40.4 | Very low | 81 Ų | 81 | 122.9 Ų | 122.9 | 57% | 0.566 | 68% | 0.682 | S | S | * | * | trans | -92.1 | 114.2 | -170.6 | -166.3 | 0 | 0 | 0 | 0 | 114.5 | S112 | S110-S112 PolarHBondContact O-N 3.29Š| ||
| 111 | T | 32.6 | Very low | 40.6 | Very low | 85 Ų | 85 | 119 Ų | 119 | 52% | 0.521 | 68% | 0.68 | S | S | . | * | 55.2 | 53.6 | 126.6 | -29.7 | 0 | 0 | 0 | 0 | 118.7 | T287 | T111-T287 HydrophobicContact CG2-CG2 4.27Š| |||
| 112 | S | 39.4 | Very low | 40.6 | Very low | 78 Ų | 78 | 116.7 Ų | 116.7 | 55% | 0.545 | 67% | 0.674 | S | S | . | * | S | Bend | trans | -118.2 | -14.9 | 167.5 | -64.6 | 0 | 0 | 0 | 0 | 115.6 | S110 | S110-S112 PolarHBondContact O-N 3.29Š|
| 113 | E | 43.3 | Very low | 41.4 | Very low | 170 Ų | 170 | 115.3 Ų | 115.3 | 79% | 0.794 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -111.3 | -16.4 | -169.9 | -70.1 | 177.6 | 91.9 | 0 | 0 | 115.2 | Q115 | E113-Q115 VanDerWaalsContact C-N 3.34Å; E113-Q115 PolarHBondContact O-N 3.31Å |
| 114 | Q | 43.2 | Very low | 41.9 | Very low | 107 Ų | 107 | 120 Ų | 120 | 50% | 0.5 | 68% | 0.677 | S | S | . | * | G | 310 helix | trans | -82.9 | 2.9 | -177 | -89 | 147.4 | 16.1 | 0 | 0 | 116.2 | L117 | Q114-L117 HydrophobicContact CB-CD1 4.22Å; Q114-L117 HydrophobicContact CG-CD1 3.51Å; Q114-L117 WeakPolarHBondContact O-CB 3.32Å |
| 115 | Q | 43.4 | Very low | 42.2 | Very low | 169 Ų | 169 | 120.1 Ų | 120.1 | 79% | 0.79 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -77.7 | -17.1 | 173.3 | -70.4 | -171.8 | 24.3 | 0 | 0 | 113.9 | E113 L117 | E113-Q115 VanDerWaalsContact C-N 3.34Å; E113-Q115 PolarHBondContact O-N 3.31Å; Q115-L117 PolarHBondContact O-N 2.83Å |
| 116 | V | 46.5 | Very low | 43 | Very low | 128 Ų | 128 | 119.5 Ų | 119.5 | 78% | 0.776 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -79.7 | -6.4 | -177.5 | -177.7 | 0 | 0 | 0 | 0 | 112.6 | ||
| 117 | L | 53.2 | Low | 43.3 | Very low | 13 Ų | 13 | 121.9 Ų | 121.9 | 7% | 0.068 | 69% | 0.688 | C | S | . | * | S | Bend | trans | -95.8 | -29 | -139.6 | -123.5 | 159.9 | 0 | 0 | 0 | 116.3 | Q114 Q115 T139 P141 L142 | Q114-L117 HydrophobicContact CB-CD1 4.22Å; Q114-L117 HydrophobicContact CG-CD1 3.51Å; Q114-L117 WeakPolarHBondContact O-CB 3.32Å; Q115-L117 PolarHBondContact O-N 2.83Å; L117-T139 WeakPolarHBondContact CD2-OG1 3.31Å; L117-T139 PolarHBondContact O-OG1 2.88Å; L117-P141 HydrophobicContact CD1-CB 3.75Å; L117-P141 HydrophobicContact CD2-CB 3.96Å; L117-P141 HydrophobicContact CG-CB 3.8Å; L117-L142 HydrophobicContact CD2-CB 3.29Å; L117-L142 HydrophobicContact CD2-CD1 3.6Å; L117-L142 HydrophobicContact CD2-CG 3.95Å |
| 118 | L | 52.4 | Low | 43.6 | Very low | 42 Ų | 42 | 117.3 Ų | 117.3 | 22% | 0.22 | 69% | 0.685 | C | S | . | * | S | Bend | trans | -137.8 | 122.3 | 164.4 | -70.7 | 172.5 | 0 | 0 | 0 | 106.7 | A120 L142 V216 K220 | L118-A120 PolarHBondContact O-N 2.77Å; L118-L142 HydrophobicContact CD2-CD2 4.09Å; L118-L142 HydrophobicContact CG-CD2 4.44Å; L118-V216 HydrophobicContact CD1-CG1 3.95Å; L118-K220 HydrophobicContact CD1-CD 4.47Å |
| 119 | P | 48.5 | Very low | 44 | Very low | 121 Ų | 121 | 116.6 Ų | 116.6 | 79% | 0.786 | 69% | 0.687 | S | S | * | * | trans | -57.4 | 137.2 | 176.1 | 24.5 | -32.6 | 0 | 0 | 0 | 109.2 | A121 | P119-A121 PolarHBondContact O-N 3.27Š| ||
| 120 | A | 47 | Very low | 44.9 | Very low | 79 Ų | 79 | 117.2 Ų | 117.2 | 65% | 0.653 | 69% | 0.685 | S | S | * | * | trans | -63 | 136.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | L118 D122 | L118-A120 PolarHBondContact O-N 2.77Å; A120-D122 PolarHBondContact O-N 3.49Å | ||
| 121 | A | 49.1 | Very low | 45.5 | Very low | 94 Ų | 94 | 118.1 Ų | 118.1 | 78% | 0.777 | 68% | 0.684 | S | S | * | * | trans | -71.9 | 98 | 169.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | P119 | P119-A121 PolarHBondContact O-N 3.27Š| ||
| 122 | D | 47.3 | Very low | 46.5 | Very low | 140 Ų | 140 | 118.9 Ų | 118.9 | 75% | 0.749 | 69% | 0.685 | S | S | * | * | trans | -63.2 | 134.4 | 171.9 | -73.9 | -38.7 | 0 | 0 | 0 | 109.5 | A120 Q124 | A120-D122 PolarHBondContact O-N 3.49Å; D122-Q124 VanDerWaalsContact C-N 3.32Å; D122-Q124 PolarHBondContact O-N 3.5Å | ||
| 123 | D | 49.8 | Very low | 47.2 | Very low | 173 Ų | 173 | 119.4 Ų | 119.4 | 93% | 0.925 | 68% | 0.681 | S | S | * | * | trans | -62.4 | 84.4 | 177.5 | -77.3 | -74.4 | 0 | 0 | 0 | 112.1 | ||||
| 124 | Q | 43.9 | Very low | 48 | Very low | 167 Ų | 167 | 118.5 Ų | 118.5 | 78% | 0.78 | 68% | 0.677 | S | S | * | * | trans | -116.1 | 90.5 | 166.3 | -76.2 | -79.4 | 1.7 | 0 | 0 | 108.7 | D122 S126 | D122-Q124 VanDerWaalsContact C-N 3.32Å; D122-Q124 PolarHBondContact O-N 3.5Å; Q124-S126 PolarHBondContact O-N 3.45Å | ||
| 125 | A | 40.8 | Very low | 49.2 | Very low | 111 Ų | 111 | 115.9 Ų | 115.9 | 92% | 0.917 | 67% | 0.67 | S | S | * | * | trans | -66.1 | 95.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 126 | S | 48.4 | Very low | 51 | Low | 105 Ų | 105 | 108.7 Ų | 108.7 | 73% | 0.734 | 64% | 0.637 | S | S | * | * | trans | -134.3 | 115 | 171.5 | -172.7 | 0 | 0 | 0 | 0 | 109.4 | Q124 G128 | Q124-S126 PolarHBondContact O-N 3.45Å; S126-G128 PolarHBondContact O-N 3.46Å | ||
| 127 | E | 44.2 | Very low | 52.7 | Low | 204 Ų | 204 | 106.8 Ų | 106.8 | 95% | 0.953 | 63% | 0.625 | S | S | * | * | trans | -78 | 112.1 | -177.1 | -49.9 | -153.1 | 159 | 0 | 0 | 110.2 | ||||
| 128 | G | 41.6 | Very low | 54.3 | Low | 69 Ų | 69 | 108.6 Ų | 108.6 | 71% | 0.711 | 63% | 0.634 | S | S | * | * | trans | 169.7 | 110.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | S126 | S126-G128 PolarHBondContact O-N 3.46Š| ||
| 129 | D | 44.2 | Very low | 56 | Low | 162 Ų | 162 | 108.9 Ų | 108.9 | 87% | 0.866 | 64% | 0.638 | S | S | * | * | trans | 65.6 | 114.5 | 166.3 | -147.5 | 8.3 | 0 | 0 | 0 | 117.5 | N131 | D129-N131 VanDerWaalsContact C-N 3.31Å; D129-N131 PolarHBondContact O-N 3.13Å | ||
| 130 | E | 49.5 | Very low | 57.9 | Low | 163 Ų | 163 | 108.1 Ų | 108.1 | 76% | 0.762 | 63% | 0.63 | S | S | * | * | trans | -79.5 | 72.9 | -176.7 | -65.6 | -168 | -175.5 | 0 | 0 | 111.8 | L132 | E130-L132 HydrophobicContact CB-CG 4.39Å; E130-L132 PolarHBondContact O-N 2.78Å | ||
| 131 | N | 47.9 | Very low | 59.9 | Low | 100 Ų | 100 | 107 Ų | 107 | 54% | 0.535 | 62% | 0.617 | S | S | . | * | trans | -73.2 | 71.7 | 169.8 | -168.5 | 2.5 | 0 | 0 | 0 | 111.1 | D129 D133 | D129-N131 VanDerWaalsContact C-N 3.31Å; D129-N131 PolarHBondContact O-N 3.13Å; N131-D133 PolarHBondContact O-N 2.87Å; N131-D133 VanDerWaalsContact O-N 3.17Å; N131-D133 PolarHBondContact OD1-N 2.93Å | ||
| 132 | L | 53.9 | Low | 61.9 | Low | 102 Ų | 102 | 102.9 Ų | 102.9 | 53% | 0.534 | 58% | 0.582 | S | S | . | * | trans | -62 | -18.1 | 178.3 | -72.1 | 165.6 | 0 | 0 | 0 | 113.1 | E130 F136 | E130-L132 HydrophobicContact CB-CG 4.39Å; E130-L132 PolarHBondContact O-N 2.78Å; L132-F136 WeakPolarHBondContact O-CD2 3.48Å; L132-F136 WeakPolarHBondContact O-CE2 3.35Å | ||
| 133 | D | 54.4 | Low | 64 | Low | 89 Ų | 89 | 100 Ų | 100 | 48% | 0.476 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -76.9 | -41.9 | -165.5 | -155.3 | 31.1 | 0 | 0 | 0 | 113.4 | N131 S135 F136 S232 | N131-D133 PolarHBondContact O-N 2.87Å; N131-D133 VanDerWaalsContact O-N 3.17Å; N131-D133 PolarHBondContact OD1-N 2.93Å; D133-S135 PolarHBondContact O-N 3.46Å; D133-F136 PolarHBondContact O-N 2.71Å; D133-F136 VanDerWaalsContact O-N 3.09Å; D133-S232 WeakPolarHBondContact OD1-CB 3.29Å; D133-S232 PolarHBondContact OD1-OG 3.17Å |
| 134 | E | 58.3 | Low | 65.9 | Low | 150 Ų | 150 | 97.3 Ų | 97.3 | 70% | 0.701 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -63 | -28.5 | -179.1 | -68.5 | -163 | 155.1 | 0 | 0 | 113.1 | F136 V137 | E134-F136 PolarHBondContact O-N 3.45Å; E134-V137 WeakPolarHBondContact O-CG2 3.39Å; E134-V137 PolarHBondContact O-N 3.18Å |
| 135 | S | 69.9 | Low | 68.2 | Low | 52 Ų | 52 | 91.6 Ų | 91.6 | 36% | 0.364 | 52% | 0.516 | S | S | . | . | G | 310 helix | trans | -74.8 | -5.4 | 179.8 | -166.3 | 0 | 0 | 0 | 0 | 113.6 | D133 H213 R217 | D133-S135 PolarHBondContact O-N 3.46Å; S135-H213 PolarHBondContact O-NE2 2.8Å; S135-R217 VanDerWaalsContact CB-NH1 3.3Å; S135-R217 PolarHBondContact O-NH1 3.3Å; S135-R217 PolarHBondContact OG-NE 2.86Å; S135-R217 PolarHBondContact OG-NH1 3.06Å; S135-R217 PolarHBondContact OG-NH2 2.68Å |
| 136 | F | 79.3 | Confident | 70.7 | Confident | 19 Ų | 19 | 86.3 Ų | 86.3 | 8% | 0.083 | 47% | 0.473 | C | S | . | . | G | 310 helix | trans | -103 | 3.1 | 176.7 | -71.7 | -65.9 | 0 | 0 | 0 | 114.1 | L132 D133 E134 I138 H213 L214 R217 P226 P230 M233 | L132-F136 WeakPolarHBondContact O-CD2 3.48Å; L132-F136 WeakPolarHBondContact O-CE2 3.35Å; D133-F136 PolarHBondContact O-N 2.71Å; D133-F136 VanDerWaalsContact O-N 3.09Å; E134-F136 PolarHBondContact O-N 3.45Å; F136-I138 PolarHBondContact O-N 3.48Å; F136-H213 WeakPolarHBondContact CA-NE2 3.31Å; F136-H213 PolarHBondContact O-NE2 2.86Å; F136-L214 HydrophobicContact CE1-CD2 4.3Å; F136-R217 VanDerWaalsContact CE2-NH1 3.29Å; F136-R217 VanDerWaalsContact CG-NH1 3.28Å; F136-P226 HydrophobicContact CE1-CG 4.43Å; F136-P226 HydrophobicContact CZ-CG 4.34Å; F136-P230 HydrophobicContact CD1-CG 3.95Å; F136-P230 HydrophobicContact CD2-CB 3.96Å; F136-P230 HydrophobicContact CD2-CG 3.52Å; F136-P230 HydrophobicContact CE1-CG 3.78Å; F136-P230 HydrophobicContact CE2-CB 4.2Å; F136-P230 HydrophobicContact CE2-CG 3.38Å; F136-P230 HydrophobicContact CG-CB 4.3Å; F136-P230 HydrophobicContact CG-CG 3.82Å; F136-P230 HydrophobicContact CZ-CG 3.5Å; F136-P230 VanDerWaalsContact CZ-CG 3.5Å; F136-M233 HydrophobicContact CB-CG 3.68Å; F136-M233 HydrophobicContact CB-SD 4.1Å; F136-M233 HydrophobicContact CD1-CG 3.98Å; F136-M233 HydrophobicContact CD1-SD 3.28Å; F136-M233 WeakPolarHBondContact CD1-SD 3.46Å; F136-M233 HydrophobicContact CE1-SD 3.98Å; F136-M233 HydrophobicContact CG-CG 4.08Å; F136-M233 HydrophobicContact CG-SD 4Å |
| 137 | V | 83.5 | Confident | 72.8 | Confident | 87 Ų | 87 | 82.3 Ų | 82.3 | 53% | 0.527 | 44% | 0.444 | S | S | . | . | trans | -72.1 | 117.5 | 176.8 | 179.9 | 0 | 0 | 0 | 0 | 110.9 | E134 T139 H213 | E134-V137 WeakPolarHBondContact O-CG2 3.39Å; E134-V137 PolarHBondContact O-N 3.18Å; V137-T139 PolarHBondContact O-N 3.47Å; V137-H213 PolarHBondContact O-CE1 3.33Å | ||
| 138 | I | 86.1 | Confident | 75.1 | Confident | 51 Ų | 51 | 76.1 Ų | 76.1 | 26% | 0.262 | 42% | 0.42 | S | S | . | . | trans | -78.8 | 109 | 169.8 | -55.4 | -178.9 | 0 | 0 | 0 | 108 | F136 L142 F143 Y146 C209 H213 M233 | F136-I138 PolarHBondContact O-N 3.48Å; I138-L142 HydrophobicContact CG2-CB 4.08Å; I138-L142 HydrophobicContact CG2-CD2 4.32Å; I138-L142 HydrophobicContact CG2-CG 4.33Å; I138-F143 HydrophobicContact CG2-CB 4.05Å; I138-Y146 HydrophobicContact CG2-CD2 4.27Å; I138-Y146 HydrophobicContact CG2-CE2 4.15Å; I138-C209 HydrophobicContact CD1-CB 4.12Å; I138-H213 HydrophobicContact CD1-CB 4.16Å; I138-H213 HydrophobicContact CG1-CB 4.23Å; I138-M233 HydrophobicContact CD1-CE 4.39Å | ||
| 139 | T | 88.2 | Confident | 77.6 | Confident | 48 Ų | 48 | 73.1 Ų | 73.1 | 29% | 0.294 | 39% | 0.388 | S | S | . | . | trans | -70.9 | 154.8 | 178.3 | 61.1 | 0 | 0 | 0 | 0 | 111.1 | L117 V137 L142 F143 | L117-T139 WeakPolarHBondContact CD2-OG1 3.31Å; L117-T139 PolarHBondContact O-OG1 2.88Å; V137-T139 PolarHBondContact O-N 3.47Å; T139-L142 WeakPolarHBondContact O-CA 3.22Å; T139-L142 VanDerWaalsContact O-CB 3.22Å; T139-L142 WeakPolarHBondContact O-CB 3.39Å; T139-L142 PolarHBondContact O-N 3.37Å; T139-L142 WeakPolarHBondContact OG1-CB 3.42Å; T139-F143 PolarHBondContact O-N 3.37Å | ||
| 140 | V | 88.1 | Confident | 79.9 | Confident | 105 Ų | 105 | 65.4 Ų | 65.4 | 64% | 0.636 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -53.3 | -46.6 | -176.8 | 178.5 | 0 | 0 | 0 | 0 | 113.1 | L142 F143 E144 | V140-L142 PolarHBondContact O-N 2.92Å; V140-F143 WeakPolarHBondContact O-CB 3.39Å; V140-F143 PolarHBondContact O-N 3.43Å; V140-E144 PolarHBondContact O-N 3.07Å |
| 141 | P | 89.9 | Confident | 81.9 | Confident | 56 Ų | 56 | 59.7 Ų | 59.7 | 36% | 0.364 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -70.2 | -18.6 | 179.4 | -15 | 31.2 | 0 | 0 | 0 | 112.8 | L117 Y145 | L117-P141 HydrophobicContact CD1-CB 3.75Å; L117-P141 HydrophobicContact CD2-CB 3.96Å; L117-P141 HydrophobicContact CG-CB 3.8Å; P141-Y145 PolarHBondContact O-N 3.39Å |
| 142 | L | 90 | Very high | 83.9 | Confident | 8 Ų | 8 | 58.5 Ų | 58.5 | 4% | 0.042 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -77.7 | -42.1 | 177.3 | -161 | 58.7 | 0 | 0 | 0 | 109.7 | L117 L118 I138 T139 V140 E144 Y145 Y146 H213 | L117-L142 HydrophobicContact CD2-CB 3.29Å; L117-L142 HydrophobicContact CD2-CD1 3.6Å; L117-L142 HydrophobicContact CD2-CG 3.95Å; L118-L142 HydrophobicContact CD2-CD2 4.09Å; L118-L142 HydrophobicContact CG-CD2 4.44Å; I138-L142 HydrophobicContact CG2-CB 4.08Å; I138-L142 HydrophobicContact CG2-CD2 4.32Å; I138-L142 HydrophobicContact CG2-CG 4.33Å; T139-L142 WeakPolarHBondContact O-CA 3.22Å; T139-L142 VanDerWaalsContact O-CB 3.22Å; T139-L142 WeakPolarHBondContact O-CB 3.39Å; T139-L142 PolarHBondContact O-N 3.37Å; T139-L142 WeakPolarHBondContact OG1-CB 3.42Å; V140-L142 PolarHBondContact O-N 2.92Å; L142-E144 VanDerWaalsContact C-N 3.33Å; L142-Y145 PolarHBondContact O-N 3.15Å; L142-Y146 HydrophobicContact CD1-CE1 3.69Å; L142-Y146 HydrophobicContact CD1-CE2 4.37Å; L142-Y146 WeakPolarHBondContact CD1-OH 3.43Å; L142-Y146 HydrophobicContact CD2-CE2 4.08Å; L142-Y146 WeakPolarHBondContact CD2-OH 3.42Å; L142-Y146 HydrophobicContact CG-CD2 4.37Å; L142-Y146 HydrophobicContact CG-CE1 3.88Å; L142-Y146 HydrophobicContact CG-CE2 3.65Å; L142-Y146 WeakPolarHBondContact CG-OH 3.36Å; L142-Y146 WeakPolarHBondContact O-CB 3.19Å; L142-Y146 WeakPolarHBondContact O-CD1 3.39Å; L142-Y146 PolarHBondContact O-N 2.98Å; L142-H213 WeakPolarHBondContact CD2-CE1 3.47Å; L142-H213 WeakPolarHBondContact CD2-ND1 3.43Å |
| 143 | F | 91.2 | Very high | 85.6 | Confident | 78 Ų | 78 | 53.7 Ų | 53.7 | 34% | 0.342 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.9 | -41.7 | 170.3 | -174.2 | -93.4 | 0 | 0 | 0 | 111.7 | I138 T139 V140 Y146 T147 L205 | I138-F143 HydrophobicContact CG2-CB 4.05Å; T139-F143 PolarHBondContact O-N 3.37Å; V140-F143 WeakPolarHBondContact O-CB 3.39Å; V140-F143 PolarHBondContact O-N 3.43Å; F143-Y146 PolarHBondContact O-N 2.9Å; F143-T147 VanDerWaalsContact O-CB 3.25Å; F143-T147 WeakPolarHBondContact O-CB 3.32Å; F143-T147 PolarHBondContact O-N 3.27Å; F143-T147 PolarHBondContact O-OG1 2.99Å; F143-L205 HydrophobicContact CZ-CD2 3.97Å; F143-L205 HydrophobicContact CZ-CG 4.4Å |
| 144 | E | 91.1 | Very high | 87.3 | Confident | 118 Ų | 118 | 49.5 Ų | 49.5 | 55% | 0.551 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -64.3 | -42.1 | 174.8 | -71.6 | 178.9 | 177.7 | 0 | 0 | 112.8 | V140 L142 T147 T148 | V140-E144 PolarHBondContact O-N 3.07Å; L142-E144 VanDerWaalsContact C-N 3.33Å; E144-T147 PolarHBondContact O-N 3.45Å; E144-T148 PolarHBondContact O-N 3.43Å; E144-T148 PolarHBondContact O-OG1 2.69Å |
| 145 | Y | 91.8 | Very high | 88.7 | Confident | 47 Ų | 47 | 48.2 Ų | 48.2 | 18% | 0.184 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.3 | -48.3 | 172.9 | 173.9 | -115.2 | 0 | 0 | 0 | 111.8 | P141 L142 T147 T148 C149 | P141-Y145 PolarHBondContact O-N 3.39Å; L142-Y145 PolarHBondContact O-N 3.15Å; Y145-T147 VanDerWaalsContact C-N 3.34Å; Y145-T147 PolarHBondContact O-N 2.93Å; Y145-T148 WeakPolarHBondContact O-CB 3.34Å; Y145-T148 PolarHBondContact O-N 3.29Å; Y145-T148 VanDerWaalsContact O-N 3.11Å; Y145-C149 PolarHBondContact O-N 3.36Å; Y145-C149 PolarHBondContact O-SG 2.85Å |
| 146 | Y | 94 | Very high | 89.5 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.7 | -38.2 | 177.9 | -62.1 | -12.6 | 0 | 0 | 0 | 112.2 | I138 L142 F143 T148 C149 F150 F208 C209 M212 H213 V216 | I138-Y146 HydrophobicContact CG2-CD2 4.27Å; I138-Y146 HydrophobicContact CG2-CE2 4.15Å; L142-Y146 HydrophobicContact CD1-CE1 3.69Å; L142-Y146 HydrophobicContact CD1-CE2 4.37Å; L142-Y146 WeakPolarHBondContact CD1-OH 3.43Å; L142-Y146 HydrophobicContact CD2-CE2 4.08Å; L142-Y146 WeakPolarHBondContact CD2-OH 3.42Å; L142-Y146 HydrophobicContact CG-CD2 4.37Å; L142-Y146 HydrophobicContact CG-CE1 3.88Å; L142-Y146 HydrophobicContact CG-CE2 3.65Å; L142-Y146 WeakPolarHBondContact CG-OH 3.36Å; L142-Y146 WeakPolarHBondContact O-CB 3.19Å; L142-Y146 WeakPolarHBondContact O-CD1 3.39Å; L142-Y146 PolarHBondContact O-N 2.98Å; F143-Y146 PolarHBondContact O-N 2.9Å; Y146-T148 VanDerWaalsContact C-N 3.3Å; Y146-T148 PolarHBondContact O-N 3.31Å; Y146-C149 WeakPolarHBondContact O-CB 3.48Å; Y146-C149 PolarHBondContact O-N 2.99Å; Y146-F150 WeakPolarHBondContact O-CB 3.1Å; Y146-F150 PolarHBondContact O-N 2.8Å; Y146-F208 WeakPolarHBondContact O-CE1 3.4Å; Y146-C209 VanDerWaalsContact CB-SG 3.56Å; Y146-C209 HydrophobicContact CD2-CB 4Å; Y146-M212 HydrophobicContact CD1-CB 3.9Å; Y146-M212 HydrophobicContact CD1-CG 3.27Å; Y146-M212 HydrophobicContact CD2-CB 4.21Å; Y146-M212 HydrophobicContact CD2-CG 4.44Å; Y146-M212 HydrophobicContact CE1-CB 3.99Å; Y146-M212 HydrophobicContact CE1-CG 3.25Å; Y146-M212 HydrophobicContact CE2-CB 4.28Å; Y146-M212 HydrophobicContact CE2-CG 4.41Å; Y146-M212 HydrophobicContact CG-CB 4.02Å; Y146-M212 HydrophobicContact CG-CG 3.91Å; Y146-H213 HydrophobicContact CE2-CB 3.85Å; Y146-H213 VanDerWaalsContact OH-CA 3.31Å; Y146-H213 WeakPolarHBondContact OH-CA 3.33Å; Y146-H213 PolarHBondContact OH-ND1 3.13Å; Y146-V216 HydrophobicContact CE1-CG2 4.08Å |
| 147 | T | 92.4 | Very high | 89.8 | Confident | 21 Ų | 21 | 52.9 Ų | 52.9 | 13% | 0.129 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.3 | -39 | 173.1 | -60.4 | 0 | 0 | 0 | 0 | 111.5 | F143 E144 Y145 F150 N151 L163 L205 | F143-T147 VanDerWaalsContact O-CB 3.25Å; F143-T147 WeakPolarHBondContact O-CB 3.32Å; F143-T147 PolarHBondContact O-N 3.27Å; F143-T147 PolarHBondContact O-OG1 2.99Å; E144-T147 PolarHBondContact O-N 3.45Å; Y145-T147 VanDerWaalsContact C-N 3.34Å; Y145-T147 PolarHBondContact O-N 2.93Å; T147-F150 PolarHBondContact O-N 2.98Å; T147-N151 PolarHBondContact O-N 3.05Å; T147-N151 PolarHBondContact O-ND2 3.29Å; T147-L163 HydrophobicContact CG2-CD1 4.13Å; T147-L163 HydrophobicContact CG2-CD2 3.65Å; T147-L205 HydrophobicContact CG2-CD1 4.4Å |
| 148 | T | 92.7 | Very high | 89.8 | Confident | 74 Ų | 74 | 52.9 Ų | 52.9 | 45% | 0.454 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.2 | -46.7 | 175.3 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | E144 Y145 Y146 F150 N151 Q152 | E144-T148 PolarHBondContact O-N 3.43Å; E144-T148 PolarHBondContact O-OG1 2.69Å; Y145-T148 WeakPolarHBondContact O-CB 3.34Å; Y145-T148 PolarHBondContact O-N 3.29Å; Y145-T148 VanDerWaalsContact O-N 3.11Å; Y146-T148 VanDerWaalsContact C-N 3.3Å; Y146-T148 PolarHBondContact O-N 3.31Å; T148-F150 VanDerWaalsContact C-N 3.33Å; T148-F150 PolarHBondContact O-N 3.46Å; T148-N151 PolarHBondContact O-N 3.36Å; T148-Q152 WeakPolarHBondContact O-CG 3.44Å; T148-Q152 PolarHBondContact O-N 3.19Å; T148-Q152 VanDerWaalsContact O-N 3.11Å |
| 149 | C | 92.2 | Very high | 89.6 | Confident | 6 Ų | 6 | 53.7 Ų | 53.7 | 4% | 0.041 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.2 | -42.3 | 173.4 | -73 | 0 | 0 | 0 | 0 | 112.7 | Y145 Y146 Q152 L153 F177 F208 | Y145-C149 PolarHBondContact O-N 3.36Å; Y145-C149 PolarHBondContact O-SG 2.85Å; Y146-C149 WeakPolarHBondContact O-CB 3.48Å; Y146-C149 PolarHBondContact O-N 2.99Å; C149-Q152 PolarHBondContact O-N 3.19Å; C149-L153 WeakPolarHBondContact O-CB 3.44Å; C149-L153 PolarHBondContact O-N 3.28Å; C149-F177 HydrophobicContact CB-CZ 4Å; C149-F208 HydrophobicContact CB-CE1 4Å; C149-F208 HydrophobicContact CB-CZ 4.12Å |
| 150 | F | 92.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.5 | -44.9 | 178.3 | -172.9 | -111 | 0 | 0 | 0 | 111.9 | Y146 T147 T148 L153 L154 L163 S165 V167 L205 F208 | Y146-F150 WeakPolarHBondContact O-CB 3.1Å; Y146-F150 PolarHBondContact O-N 2.8Å; T147-F150 PolarHBondContact O-N 2.98Å; T148-F150 VanDerWaalsContact C-N 3.33Å; T148-F150 PolarHBondContact O-N 3.46Å; F150-L153 PolarHBondContact O-N 3.49Å; F150-L154 HydrophobicContact CD1-CD1 3.74Å; F150-L154 HydrophobicContact CD1-CG 4.4Å; F150-L154 HydrophobicContact CE1-CD1 3.44Å; F150-L154 VanDerWaalsContact CE1-CD1 3.44Å; F150-L154 HydrophobicContact CE1-CG 4.23Å; F150-L154 HydrophobicContact CZ-CD1 4Å; F150-L154 HydrophobicContact CZ-CG 4.41Å; F150-L154 WeakPolarHBondContact O-CG 3.44Å; F150-L154 PolarHBondContact O-N 2.87Å; F150-L163 HydrophobicContact CD1-CD2 4.03Å; F150-S165 WeakPolarHBondContact CZ-O 3.36Å; F150-V167 HydrophobicContact CD2-CG2 3.84Å; F150-V167 HydrophobicContact CE2-CB 4.24Å; F150-V167 HydrophobicContact CE2-CG2 3.42Å; F150-V167 VanDerWaalsContact CE2-CG2 3.42Å; F150-V167 HydrophobicContact CZ-CG2 4.12Å; F150-L205 HydrophobicContact CB-CD1 3.91Å; F150-L205 HydrophobicContact CD1-CB 4.18Å; F150-L205 HydrophobicContact CD1-CD1 3.62Å; F150-L205 HydrophobicContact CD1-CG 4.46Å; F150-L205 HydrophobicContact CE1-CB 3.86Å; F150-L205 HydrophobicContact CE1-CD1 4.2Å; F150-L205 HydrophobicContact CG-CD1 3.81Å; F150-L205 HydrophobicContact CZ-CB 4.18Å; F150-F208 HydrophobicContact CB-CD1 3.72Å; F150-F208 HydrophobicContact CB-CE1 3.79Å; F150-F208 HydrophobicContact CB-CG 4.4Å; F150-F208 HydrophobicContact CD2-CB 3.57Å; F150-F208 AromaticContact CD2-CD1 3.65Å; F150-F208 HydrophobicContact CD2-CD1 3.65Å; F150-F208 AromaticContact CD2-CD2 3.93Å; F150-F208 HydrophobicContact CD2-CD2 3.93Å; F150-F208 HydrophobicContact CD2-CE1 4.28Å; F150-F208 AromaticContact CD2-CG 3.43Å; F150-F208 HydrophobicContact CD2-CG 3.43Å; F150-F208 VanDerWaalsContact CD2-CG 3.43Å; F150-F208 HydrophobicContact CE2-CB 3.77Å; F150-F208 HydrophobicContact CE2-CG 4.1Å; F150-F208 HydrophobicContact CG-CD1 4.11Å; F150-F208 HydrophobicContact CG-CG 4.33Å |
| 151 | N | 91.6 | Very high | 88.8 | Confident | 43 Ų | 43 | 54.8 Ų | 54.8 | 23% | 0.23 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.9 | -46.4 | 175.2 | -80.1 | -41.8 | 0 | 0 | 0 | 112.3 | T147 T148 L153 L154 E155 A161 L163 | T147-N151 PolarHBondContact O-N 3.05Å; T147-N151 PolarHBondContact O-ND2 3.29Å; T148-N151 PolarHBondContact O-N 3.36Å; N151-L153 VanDerWaalsContact C-N 3.27Å; N151-L153 PolarHBondContact O-N 2.89Å; N151-L154 PolarHBondContact O-N 2.95Å; N151-E155 WeakPolarHBondContact O-CB 3.22Å; N151-E155 PolarHBondContact O-N 3.42Å; N151-A161 HydrophobicContact CB-CB 4.26Å; N151-L163 WeakPolarHBondContact OD1-CD2 3.37Å |
| 152 | Q | 89.8 | Confident | 88.5 | Confident | 74 Ų | 74 | 54.4 Ų | 54.4 | 35% | 0.346 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.2 | -35.1 | 176.5 | -68.7 | 178.7 | 18.7 | 0 | 0 | 112.3 | T148 C149 K156 | T148-Q152 WeakPolarHBondContact O-CG 3.44Å; T148-Q152 PolarHBondContact O-N 3.19Å; T148-Q152 VanDerWaalsContact O-N 3.11Å; C149-Q152 PolarHBondContact O-N 3.19Å; Q152-K156 WeakPolarHBondContact O-CB 3.33Å; Q152-K156 WeakPolarHBondContact O-CG 3.26Å; Q152-K156 PolarHBondContact O-N 3.31Å |
| 153 | L | 90.7 | Very high | 88 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -72.5 | -41 | 177.7 | -177.3 | 55.6 | 0 | 0 | 0 | 112 | C149 F150 N151 K156 T157 V167 V174 F177 F208 | C149-L153 WeakPolarHBondContact O-CB 3.44Å; C149-L153 PolarHBondContact O-N 3.28Å; F150-L153 PolarHBondContact O-N 3.49Å; N151-L153 VanDerWaalsContact C-N 3.27Å; N151-L153 PolarHBondContact O-N 2.89Å; L153-K156 PolarHBondContact O-N 3.39Å; L153-T157 HydrophobicContact CD1-CG2 3.86Å; L153-T157 WeakPolarHBondContact O-CB 3.39Å; L153-T157 WeakPolarHBondContact O-CG2 3.42Å; L153-T157 PolarHBondContact O-N 3.44Å; L153-T157 PolarHBondContact O-OG1 2.99Å; L153-V167 HydrophobicContact CD2-CG1 3.83Å; L153-V167 HydrophobicContact CD2-CG2 4.18Å; L153-V167 HydrophobicContact CG-CG1 4.19Å; L153-V167 HydrophobicContact CG-CG2 4.25Å; L153-V174 HydrophobicContact CD1-CG2 4.34Å; L153-V174 HydrophobicContact CD2-CG1 4.38Å; L153-F177 HydrophobicContact CB-CD2 4.5Å; L153-F177 HydrophobicContact CB-CE2 4.49Å; L153-F177 HydrophobicContact CD1-CB 3.77Å; L153-F177 HydrophobicContact CD1-CD1 4.48Å; L153-F177 HydrophobicContact CD1-CD2 4.08Å; L153-F177 HydrophobicContact CD1-CG 3.88Å; L153-F177 HydrophobicContact CD2-CB 4.48Å; L153-F177 HydrophobicContact CD2-CD1 3.86Å; L153-F177 HydrophobicContact CD2-CE1 4.23Å; L153-F177 HydrophobicContact CD2-CG 4.1Å; L153-F177 HydrophobicContact CG-CG 4.47Å; L153-F208 HydrophobicContact CD2-CD2 4.33Å; L153-F208 HydrophobicContact CD2-CE2 3.62Å; L153-F208 HydrophobicContact CD2-CZ 4.33Å |
| 154 | L | 89.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.7 | -40.2 | 172.6 | -75.4 | 175.6 | 0 | 0 | 0 | 112.1 | F150 N151 T157 Q158 G159 D162 V167 | F150-L154 HydrophobicContact CD1-CD1 3.74Å; F150-L154 HydrophobicContact CD1-CG 4.4Å; F150-L154 HydrophobicContact CE1-CD1 3.44Å; F150-L154 VanDerWaalsContact CE1-CD1 3.44Å; F150-L154 HydrophobicContact CE1-CG 4.23Å; F150-L154 HydrophobicContact CZ-CD1 4Å; F150-L154 HydrophobicContact CZ-CG 4.41Å; F150-L154 WeakPolarHBondContact O-CG 3.44Å; F150-L154 PolarHBondContact O-N 2.87Å; N151-L154 PolarHBondContact O-N 2.95Å; L154-T157 PolarHBondContact O-N 2.67Å; L154-Q158 WeakPolarHBondContact O-CA 3.49Å; L154-Q158 WeakPolarHBondContact O-CB 3.49Å; L154-Q158 PolarHBondContact O-N 3.35Å; L154-G159 PolarHBondContact O-N 3.26Å; L154-D162 WeakPolarHBondContact CD1-O 3.47Å; L154-V167 HydrophobicContact CD2-CG2 3.61Å; L154-V167 HydrophobicContact CG-CG2 3.96Å |
| 155 | E | 87.7 | Confident | 87.1 | Confident | 123 Ų | 123 | 57.8 Ų | 57.8 | 58% | 0.575 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -61.5 | -45.1 | 174 | -174.7 | 171.6 | -149.5 | 0 | 0 | 111.5 | N151 T157 G159 | N151-E155 WeakPolarHBondContact O-CB 3.22Å; N151-E155 PolarHBondContact O-N 3.42Å; E155-T157 PolarHBondContact O-N 2.74Å; E155-G159 WeakPolarHBondContact O-CA 3.4Å; E155-G159 PolarHBondContact O-N 2.89Å |
| 156 | K | 85.9 | Confident | 87 | Confident | 142 Ų | 142 | 55.9 Ų | 55.9 | 62% | 0.617 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -68.9 | -30.8 | 178.9 | -77.1 | 173.9 | 177.8 | 168.9 | 0 | 114.6 | Q152 L153 | Q152-K156 WeakPolarHBondContact O-CB 3.33Å; Q152-K156 WeakPolarHBondContact O-CG 3.26Å; Q152-K156 PolarHBondContact O-N 3.31Å; L153-K156 PolarHBondContact O-N 3.39Å |
| 157 | T | 86.4 | Confident | 86.8 | Confident | 28 Ų | 28 | 55.9 Ų | 55.9 | 17% | 0.172 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -100.5 | -31.5 | -174.7 | 56.1 | 0 | 0 | 0 | 0 | 113.7 | L153 L154 E155 D171 V174 | L153-T157 HydrophobicContact CD1-CG2 3.86Å; L153-T157 WeakPolarHBondContact O-CB 3.39Å; L153-T157 WeakPolarHBondContact O-CG2 3.42Å; L153-T157 PolarHBondContact O-N 3.44Å; L153-T157 PolarHBondContact O-OG1 2.99Å; L154-T157 PolarHBondContact O-N 2.67Å; E155-T157 PolarHBondContact O-N 2.74Å; T157-D171 WeakPolarHBondContact CG2-OD1 3.33Å; T157-V174 HydrophobicContact CG2-CG2 3.88Å |
| 158 | Q | 83.9 | Confident | 86.7 | Confident | 86 Ų | 86 | 60.1 Ų | 60.1 | 40% | 0.402 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -121.8 | -5.3 | -174.1 | -56.4 | -177.7 | 23.8 | 0 | 0 | 113.2 | L154 K160 A166 | L154-Q158 WeakPolarHBondContact O-CA 3.49Å; L154-Q158 WeakPolarHBondContact O-CB 3.49Å; L154-Q158 PolarHBondContact O-N 3.35Å; Q158-K160 PolarHBondContact O-N 3.17Å; Q158-A166 PolarHBondContact NE2-O 3.43Å |
| 159 | G | 80.7 | Confident | 86.5 | Confident | 68 Ų | 68 | 57 Ų | 57 | 70% | 0.701 | 30% | 0.3 | S | S | * | . | S | Bend | trans | 68.7 | 8.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L154 E155 | L154-G159 PolarHBondContact O-N 3.26Å; E155-G159 WeakPolarHBondContact O-CA 3.4Å; E155-G159 PolarHBondContact O-N 2.89Å |
| 160 | K | 80.2 | Confident | 86.1 | Confident | 121 Ų | 121 | 60 Ų | 60 | 53% | 0.526 | 31% | 0.314 | S | S | . | . | trans | -145.1 | 115.6 | -177.4 | -170.8 | -162.9 | 178.3 | -155.8 | 0 | 110 | Q158 D162 | Q158-K160 PolarHBondContact O-N 3.17Å; K160-D162 HydrophobicContact CD-CB 4.18Å; K160-D162 HydrophobicContact CG-CB 4.43Å; K160-D162 IonicContact NZ-OD2 3.1Å; K160-D162 PolarHBondContact NZ-OD2 2.94Å; K160-D162 PolarHBondContact O-N 3.44Å | ||
| 161 | A | 79.6 | Confident | 85.8 | Confident | 55 Ų | 55 | 62.2 Ų | 62.2 | 46% | 0.455 | 33% | 0.325 | S | S | . | . | trans | -74 | 111.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | N151 | N151-A161 HydrophobicContact CB-CB 4.26Š| ||
| 162 | D | 83.2 | Confident | 85.5 | Confident | 49 Ų | 49 | 63.5 Ų | 63.5 | 26% | 0.262 | 34% | 0.336 | S | S | . | . | trans | -146 | 109.5 | 177.1 | -175.4 | -17.1 | 0 | 0 | 0 | 108.7 | L154 K160 Q164 S165 | L154-D162 WeakPolarHBondContact CD1-O 3.47Å; K160-D162 HydrophobicContact CD-CB 4.18Å; K160-D162 HydrophobicContact CG-CB 4.43Å; K160-D162 IonicContact NZ-OD2 3.1Å; K160-D162 PolarHBondContact NZ-OD2 2.94Å; K160-D162 PolarHBondContact O-N 3.44Å; D162-Q164 PolarHBondContact O-N 2.99Å; D162-Q164 PolarHBondContact OD1-N 3.3Å; D162-Q164 VanDerWaalsContact OD1-N 3.11Å; D162-S165 WeakPolarHBondContact O-CA 3.29Å; D162-S165 VanDerWaalsContact O-CB 3.27Å; D162-S165 WeakPolarHBondContact O-CB 3.46Å; D162-S165 PolarHBondContact O-N 3.18Å | ||
| 163 | L | 80.1 | Confident | 85.5 | Confident | 68 Ų | 68 | 61 Ų | 61 | 36% | 0.356 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -10.3 | -175.3 | -67.4 | 174.5 | 0 | 0 | 0 | 114.4 | T147 F150 N151 L205 | T147-L163 HydrophobicContact CG2-CD1 4.13Å; T147-L163 HydrophobicContact CG2-CD2 3.65Å; F150-L163 HydrophobicContact CD1-CD2 4.03Å; N151-L163 WeakPolarHBondContact OD1-CD2 3.37Å; L163-L205 HydrophobicContact CD2-CD1 4.44Å; L163-L205 HydrophobicContact CD2-CD2 4.29Å |
| 164 | Q | 80.4 | Confident | 85.4 | Confident | 174 Ų | 174 | 61 Ų | 61 | 81% | 0.813 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -7.8 | 171.9 | -60.8 | -64.2 | -86 | 0 | 0 | 112.8 | D162 | D162-Q164 PolarHBondContact O-N 2.99Å; D162-Q164 PolarHBondContact OD1-N 3.3Å; D162-Q164 VanDerWaalsContact OD1-N 3.11Å |
| 165 | S | 84.1 | Confident | 85.4 | Confident | 32 Ų | 32 | 62.1 Ų | 62.1 | 22% | 0.224 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -81.1 | 163.3 | 166.6 | -61 | 0 | 0 | 0 | 0 | 110.1 | F150 D162 | F150-S165 WeakPolarHBondContact CZ-O 3.36Å; D162-S165 WeakPolarHBondContact O-CA 3.29Å; D162-S165 VanDerWaalsContact O-CB 3.27Å; D162-S165 WeakPolarHBondContact O-CB 3.46Å; D162-S165 PolarHBondContact O-N 3.18Å |
| 166 | A | 88.5 | Confident | 85.5 | Confident | 8 Ų | 8 | 61 Ų | 61 | 7% | 0.066 | 33% | 0.33 | C | S | . | . | trans | -138.6 | 144.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q158 L203 N204 | Q158-A166 PolarHBondContact NE2-O 3.43Å; A166-L203 CarbonylContact C-O 3.41Å; A166-L203 WeakPolarHBondContact CA-O 3.47Å; A166-L203 VanDerWaalsContact CB-O 3.3Å; A166-L203 WeakPolarHBondContact CB-O 3.42Å; A166-N204 HydrophobicContact CB-CB 4.41Å; A166-N204 VanDerWaalsContact CB-OD1 3.28Å; A166-N204 WeakPolarHBondContact CB-OD1 3.4Å | ||
| 167 | V | 90.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 125.1 | -165.9 | 171.5 | 0 | 0 | 0 | 0 | 109.5 | F150 L153 L154 V174 Y202 L203 | F150-V167 HydrophobicContact CD2-CG2 3.84Å; F150-V167 HydrophobicContact CE2-CB 4.24Å; F150-V167 HydrophobicContact CE2-CG2 3.42Å; F150-V167 VanDerWaalsContact CE2-CG2 3.42Å; F150-V167 HydrophobicContact CZ-CG2 4.12Å; L153-V167 HydrophobicContact CD2-CG1 3.83Å; L153-V167 HydrophobicContact CD2-CG2 4.18Å; L153-V167 HydrophobicContact CG-CG1 4.19Å; L153-V167 HydrophobicContact CG-CG2 4.25Å; L154-V167 HydrophobicContact CD2-CG2 3.61Å; L154-V167 HydrophobicContact CG-CG2 3.96Å; V167-V174 HydrophobicContact CG1-CB 3.98Å; V167-V174 HydrophobicContact CG1-CG1 3.49Å; V167-V174 VanDerWaalsContact CG1-CG1 3.49Å; V167-V174 HydrophobicContact CG1-CG2 3.19Å; V167-Y202 CarbonylContact O-C 3.58Å; V167-Y202 WeakPolarHBondContact O-CA 3.49Å; V167-Y202 WeakPolarHBondContact O-CB 3.3Å; V167-L203 PolarHBondContact N-O 3.32Å; V167-L203 PolarHBondContact O-N 3.22Å |
| 168 | R | 89.5 | Confident | 86 | Confident | 110 Ų | 110 | 54 Ų | 54 | 42% | 0.415 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 121.2 | -174.5 | -173.8 | 172.3 | -176.9 | -108.5 | -8.2 | 111.5 | Q170 D171 V174 Y202 | R168-Q170 VanDerWaalsContact CG-OE1 3.25Å; R168-Q170 PolarHBondContact O-N 3.08Å; R168-D171 WeakPolarHBondContact O-CB 3.42Å; R168-D171 PolarHBondContact O-N 3.3Å; R168-V174 WeakPolarHBondContact O-CG2 3.45Å; R168-Y202 VanDerWaalsContact CA-CD1 3.44Å; R168-Y202 HydrophobicContact CB-CD1 3.54Å; R168-Y202 HydrophobicContact CB-CE1 3.59Å; R168-Y202 HydrophobicContact CB-CG 4.43Å; R168-Y202 HydrophobicContact CG-CD1 3.81Å; R168-Y202 HydrophobicContact CG-CE1 3.52Å; R168-Y202 HydrophobicContact CG-CG 4.47Å |
| 169 | G | 88.4 | Confident | 86.4 | Confident | 9 Ų | 9 | 53.3 Ų | 53.3 | 9% | 0.093 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -21.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | D171 W192 G201 | G169-D171 VanDerWaalsContact C-N 3.27Å; G169-D171 PolarHBondContact O-N 3.43Å; G169-W192 VanDerWaalsContact CA-CZ2 3.41Å; G169-G201 WeakPolarHBondContact CA-O 3.09Å; G169-G201 PolarHBondContact N-O 3.12Å |
| 170 | Q | 85.3 | Confident | 86.7 | Confident | 69 Ų | 69 | 51.3 Ų | 51.3 | 32% | 0.322 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 13.6 | 173.3 | -46.2 | 91.4 | 14.8 | 0 | 0 | 114.2 | R168 W254 | R168-Q170 VanDerWaalsContact CG-OE1 3.25Å; R168-Q170 PolarHBondContact O-N 3.08Å; Q170-W254 VanDerWaalsContact C-CZ2 3.45Å; Q170-W254 HydrophobicContact CB-CZ2 4.39Å; Q170-W254 WeakPolarHBondContact O-CZ2 3.4Å |
| 171 | D | 86.4 | Confident | 87.2 | Confident | 45 Ų | 45 | 46.2 Ų | 46.2 | 24% | 0.241 | 25% | 0.247 | C | C | . | . | trans | -96.9 | 127.5 | 172.3 | -172.8 | -73.4 | 0 | 0 | 0 | 110.8 | T157 R168 G169 G173 V174 | T157-D171 WeakPolarHBondContact CG2-OD1 3.33Å; R168-D171 WeakPolarHBondContact O-CB 3.42Å; R168-D171 PolarHBondContact O-N 3.3Å; G169-D171 VanDerWaalsContact C-N 3.27Å; G169-D171 PolarHBondContact O-N 3.43Å; D171-G173 VanDerWaalsContact C-N 3.27Å; D171-G173 PolarHBondContact O-N 3.47Å; D171-G173 WeakPolarHBondContact OD1-CA 3.36Å; D171-G173 PolarHBondContact OD1-N 3.17Å; D171-V174 HydrophobicContact CB-CG2 3.95Å; D171-V174 WeakPolarHBondContact O-CB 3.32Å; D171-V174 PolarHBondContact O-N 3.05Å; D171-V174 VanDerWaalsContact O-N 3.16Å | ||
| 172 | P | 85.8 | Confident | 87.7 | Confident | 70 Ų | 70 | 49.8 Ų | 49.8 | 46% | 0.455 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63 | -31.2 | -175.9 | 25.4 | -33.7 | 0 | 0 | 0 | 113.4 | V174 F175 E176 W254 | P172-V174 PolarHBondContact O-N 3.06Å; P172-F175 PolarHBondContact O-N 3.46Å; P172-E176 WeakPolarHBondContact O-CB 3.45Å; P172-E176 VanDerWaalsContact O-CG 3.32Å; P172-E176 WeakPolarHBondContact O-CG 3.47Å; P172-E176 PolarHBondContact O-N 3.31Å; P172-W254 HydrophobicContact CB-CH2 4.06Å |
| 173 | G | 88 | Confident | 88 | Confident | 23 Ų | 23 | 48.1 Ų | 48.1 | 24% | 0.237 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.1 | -26.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D171 F177 | D171-G173 VanDerWaalsContact C-N 3.27Å; D171-G173 PolarHBondContact O-N 3.47Å; D171-G173 WeakPolarHBondContact OD1-CA 3.36Å; D171-G173 PolarHBondContact OD1-N 3.17Å; G173-F177 WeakPolarHBondContact O-CB 3.2Å; G173-F177 PolarHBondContact O-N 3.33Å |
| 174 | V | 90.2 | Very high | 88.6 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -74.2 | -49 | 177.7 | -177.6 | 0 | 0 | 0 | 0 | 111.3 | L153 T157 V167 R168 D171 P172 F177 F178 W192 | L153-V174 HydrophobicContact CD1-CG2 4.34Å; L153-V174 HydrophobicContact CD2-CG1 4.38Å; T157-V174 HydrophobicContact CG2-CG2 3.88Å; V167-V174 HydrophobicContact CG1-CB 3.98Å; V167-V174 HydrophobicContact CG1-CG1 3.49Å; V167-V174 VanDerWaalsContact CG1-CG1 3.49Å; V167-V174 HydrophobicContact CG1-CG2 3.19Å; R168-V174 WeakPolarHBondContact O-CG2 3.45Å; D171-V174 HydrophobicContact CB-CG2 3.95Å; D171-V174 WeakPolarHBondContact O-CB 3.32Å; D171-V174 PolarHBondContact O-N 3.05Å; D171-V174 VanDerWaalsContact O-N 3.16Å; P172-V174 PolarHBondContact O-N 3.06Å; V174-F177 WeakPolarHBondContact O-CB 3.37Å; V174-F177 PolarHBondContact O-N 2.98Å; V174-F178 HydrophobicContact CG1-CD2 4.15Å; V174-F178 HydrophobicContact CG1-CE2 3.84Å; V174-F178 VanDerWaalsContact O-CD2 3.28Å; V174-F178 WeakPolarHBondContact O-CD2 3.39Å; V174-F178 PolarHBondContact O-N 3.26Å; V174-F178 VanDerWaalsContact O-N 3.08Å; V174-W192 HydrophobicContact CG1-CH2 4.37Å; V174-W192 HydrophobicContact CG1-CZ3 3.77Å |
| 175 | F | 88.6 | Confident | 89.1 | Confident | 23 Ų | 23 | 44.6 Ų | 44.6 | 10% | 0.101 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.5 | -41.2 | 177 | -169.8 | -86.8 | 0 | 0 | 0 | 111.3 | P172 F177 F178 L179 R185 L188 W254 F257 | P172-F175 PolarHBondContact O-N 3.46Å; F175-F177 VanDerWaalsContact C-N 3.29Å; F175-F177 PolarHBondContact O-N 3.22Å; F175-F178 PolarHBondContact O-N 3Å; F175-L179 HydrophobicContact CE1-CB 4.37Å; F175-L179 HydrophobicContact CE1-CD1 4.27Å; F175-L179 HydrophobicContact CE1-CD2 4.3Å; F175-L179 VanDerWaalsContact O-CB 3.31Å; F175-L179 WeakPolarHBondContact O-CB 3.43Å; F175-L179 PolarHBondContact O-N 3.41Å; F175-R185 HydrophobicContact CZ-CG 4Å; F175-L188 HydrophobicContact CE2-CB 4.28Å; F175-L188 HydrophobicContact CZ-CD1 4.26Å; F175-W254 HydrophobicContact CB-CE3 3.66Å; F175-W254 HydrophobicContact CB-CZ3 3.51Å; F175-W254 HydrophobicContact CD2-CE3 4.11Å; F175-W254 AromaticContact CG-CE3 3.97Å; F175-W254 HydrophobicContact CG-CE3 3.97Å; F175-W254 HydrophobicContact CG-CZ3 4.17Å; F175-F257 HydrophobicContact CE2-CE2 4.23Å; F175-F257 HydrophobicContact CE2-CZ 4.22Å; F175-F257 HydrophobicContact CZ-CE2 4.24Å; F175-F257 HydrophobicContact CZ-CZ 4.23Å |
| 176 | E | 89.4 | Confident | 89.5 | Confident | 99 Ų | 99 | 48 Ų | 48 | 46% | 0.463 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.3 | -37.2 | 173.6 | -75.5 | 177.8 | -160.7 | 0 | 0 | 112.3 | P172 L179 K180 | P172-E176 WeakPolarHBondContact O-CB 3.45Å; P172-E176 VanDerWaalsContact O-CG 3.32Å; P172-E176 WeakPolarHBondContact O-CG 3.47Å; P172-E176 PolarHBondContact O-N 3.31Å; E176-L179 PolarHBondContact O-N 2.92Å; E176-K180 VanDerWaalsContact O-CE 3.22Å; E176-K180 WeakPolarHBondContact O-CE 3.44Å; E176-K180 WeakPolarHBondContact O-CG 3.35Å; E176-K180 PolarHBondContact O-N 2.73Å |
| 177 | F | 91.8 | Very high | 89.7 | Confident | 9 Ų | 9 | 49.2 Ų | 49.2 | 4% | 0.039 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.4 | -45.8 | 174.3 | 177.2 | -87 | 0 | 0 | 0 | 111.5 | C149 L153 G173 V174 F175 K180 F208 M212 F280 | C149-F177 HydrophobicContact CB-CZ 4Å; L153-F177 HydrophobicContact CB-CD2 4.5Å; L153-F177 HydrophobicContact CB-CE2 4.49Å; L153-F177 HydrophobicContact CD1-CB 3.77Å; L153-F177 HydrophobicContact CD1-CD1 4.48Å; L153-F177 HydrophobicContact CD1-CD2 4.08Å; L153-F177 HydrophobicContact CD1-CG 3.88Å; L153-F177 HydrophobicContact CD2-CB 4.48Å; L153-F177 HydrophobicContact CD2-CD1 3.86Å; L153-F177 HydrophobicContact CD2-CE1 4.23Å; L153-F177 HydrophobicContact CD2-CG 4.1Å; L153-F177 HydrophobicContact CG-CG 4.47Å; G173-F177 WeakPolarHBondContact O-CB 3.2Å; G173-F177 PolarHBondContact O-N 3.33Å; V174-F177 WeakPolarHBondContact O-CB 3.37Å; V174-F177 PolarHBondContact O-N 2.98Å; F175-F177 VanDerWaalsContact C-N 3.29Å; F175-F177 PolarHBondContact O-N 3.22Å; F177-K180 PolarHBondContact O-N 3.16Å; F177-F208 HydrophobicContact CD1-CE2 4.44Å; F177-F208 AromaticContact CE1-CE2 3.93Å; F177-F208 HydrophobicContact CE1-CE2 3.93Å; F177-F208 AromaticContact CE1-CZ 3.66Å; F177-F208 HydrophobicContact CE1-CZ 3.66Å; F177-F208 HydrophobicContact CZ-CZ 4.12Å; F177-M212 HydrophobicContact CE1-CE 3.51Å; F177-M212 HydrophobicContact CZ-CE 4.08Å; F177-F280 HydrophobicContact CD2-CE1 4.29Å; F177-F280 HydrophobicContact CD2-CE2 4.23Å; F177-F280 AromaticContact CD2-CZ 3.7Å; F177-F280 HydrophobicContact CD2-CZ 3.7Å; F177-F280 HydrophobicContact CE2-CE1 4.23Å; F177-F280 AromaticContact CE2-CE2 3.64Å; F177-F280 HydrophobicContact CE2-CE2 3.64Å; F177-F280 AromaticContact CE2-CZ 3.24Å; F177-F280 HydrophobicContact CE2-CZ 3.24Å; F177-F280 HydrophobicContact CZ-CE2 4.4Å; F177-F280 AromaticContact CZ-CZ 3.77Å; F177-F280 HydrophobicContact CZ-CZ 3.77Å |
| 178 | F | 92.3 | Very high | 89.9 | Confident | 14 Ų | 14 | 49.7 Ų | 49.7 | 6% | 0.061 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.5 | -34.6 | 175.4 | -69.8 | -52.1 | 0 | 0 | 0 | 113.5 | V174 F175 K180 S181 L188 W192 L203 F208 A211 M212 I215 | V174-F178 HydrophobicContact CG1-CD2 4.15Å; V174-F178 HydrophobicContact CG1-CE2 3.84Å; V174-F178 VanDerWaalsContact O-CD2 3.28Å; V174-F178 WeakPolarHBondContact O-CD2 3.39Å; V174-F178 PolarHBondContact O-N 3.26Å; V174-F178 VanDerWaalsContact O-N 3.08Å; F175-F178 PolarHBondContact O-N 3Å; F178-K180 PolarHBondContact O-N 3.46Å; F178-S181 VanDerWaalsContact O-CB 3.31Å; F178-S181 WeakPolarHBondContact O-CB 3.16Å; F178-S181 PolarHBondContact O-N 3.39Å; F178-S181 PolarHBondContact O-OG 2.88Å; F178-L188 HydrophobicContact CB-CD1 4.27Å; F178-L188 HydrophobicContact CB-CD2 4.05Å; F178-W192 HydrophobicContact CE2-CE3 4.18Å; F178-W192 HydrophobicContact CE2-CZ3 4.02Å; F178-L203 HydrophobicContact CE2-CD1 4.13Å; F178-L203 HydrophobicContact CZ-CD1 4.05Å; F178-F208 HydrophobicContact CE1-CD2 4.31Å; F178-F208 AromaticContact CE1-CE2 3.87Å; F178-F208 HydrophobicContact CE1-CE2 3.87Å; F178-F208 AromaticContact CZ-CD2 3.85Å; F178-F208 HydrophobicContact CZ-CD2 3.85Å; F178-F208 AromaticContact CZ-CE2 3.76Å; F178-F208 HydrophobicContact CZ-CE2 3.76Å; F178-A211 HydrophobicContact CE1-CB 4.29Å; F178-A211 HydrophobicContact CZ-CB 4.07Å; F178-M212 HydrophobicContact CE1-CE 4.24Å; F178-I215 HydrophobicContact CB-CD1 4.39Å; F178-I215 HydrophobicContact CD1-CD1 3.28Å; F178-I215 HydrophobicContact CE1-CD1 3.73Å; F178-I215 HydrophobicContact CG-CD1 4.09Å |
| 179 | L | 91.9 | Very high | 90 | Very high | 72 Ų | 72 | 44.8 Ų | 44.8 | 38% | 0.377 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.7 | -24.9 | 179 | -169.7 | 63.1 | 0 | 0 | 0 | 113 | F175 E176 S181 Q182 L188 | F175-L179 HydrophobicContact CE1-CB 4.37Å; F175-L179 HydrophobicContact CE1-CD1 4.27Å; F175-L179 HydrophobicContact CE1-CD2 4.3Å; F175-L179 VanDerWaalsContact O-CB 3.31Å; F175-L179 WeakPolarHBondContact O-CB 3.43Å; F175-L179 PolarHBondContact O-N 3.41Å; E176-L179 PolarHBondContact O-N 2.92Å; L179-S181 PolarHBondContact O-N 2.91Å; L179-Q182 PolarHBondContact O-N 3.2Å; L179-Q182 VanDerWaalsContact O-N 3.08Å; L179-L188 HydrophobicContact CB-CD1 4.33Å; L179-L188 HydrophobicContact CD1-CD1 4.06Å |
| 180 | K | 87.7 | Confident | 90.3 | Very high | 27 Ų | 27 | 50.2 Ų | 50.2 | 12% | 0.117 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -13 | 174.7 | -68 | 163.8 | -157.9 | 170.3 | 0 | 113.8 | E176 F177 F178 Q182 F280 T281 L284 | E176-K180 VanDerWaalsContact O-CE 3.22Å; E176-K180 WeakPolarHBondContact O-CE 3.44Å; E176-K180 WeakPolarHBondContact O-CG 3.35Å; E176-K180 PolarHBondContact O-N 2.73Å; F177-K180 PolarHBondContact O-N 3.16Å; F178-K180 PolarHBondContact O-N 3.46Å; K180-Q182 PolarHBondContact O-N 2.89Å; K180-F280 HydrophobicContact CB-CD1 3.84Å; K180-F280 HydrophobicContact CB-CE1 3.82Å; K180-F280 HydrophobicContact CD-CD1 3.33Å; K180-F280 HydrophobicContact CD-CE1 3.7Å; K180-F280 HydrophobicContact CD-CG 4.23Å; K180-F280 HydrophobicContact CG-CD1 4.11Å; K180-F280 HydrophobicContact CG-CE1 4.38Å; K180-T281 HydrophobicContact CB-CG2 3.66Å; K180-T281 HydrophobicContact CG-CG2 3.83Å; K180-L284 HydrophobicContact CB-CD1 4.49Å |
| 181 | S | 89.3 | Confident | 90.6 | Very high | 13 Ų | 13 | 47.1 Ų | 47.1 | 9% | 0.091 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -3.5 | 169 | 67.4 | 0 | 0 | 0 | 0 | 114.4 | F178 L179 L183 V219 | F178-S181 VanDerWaalsContact O-CB 3.31Å; F178-S181 WeakPolarHBondContact O-CB 3.16Å; F178-S181 PolarHBondContact O-N 3.39Å; F178-S181 PolarHBondContact O-OG 2.88Å; L179-S181 PolarHBondContact O-N 2.91Å; S181-L183 PolarHBondContact O-N 2.83Å; S181-L183 VanDerWaalsContact O-N 3.13Å; S181-V219 WeakPolarHBondContact O-CG2 3.31Å |
| 182 | Q | 89.8 | Confident | 90.9 | Very high | 130 Ų | 130 | 47 Ų | 47 | 61% | 0.607 | 24% | 0.238 | S | C | * | . | trans | 60.3 | 11 | -173.9 | -55.7 | -162.4 | 2.6 | 0 | 0 | 115.4 | L179 K180 M285 | L179-Q182 PolarHBondContact O-N 3.2Å; L179-Q182 VanDerWaalsContact O-N 3.08Å; K180-Q182 PolarHBondContact O-N 2.89Å; Q182-M285 HydrophobicContact CB-SD 4.35Å; Q182-M285 HydrophobicContact CG-SD 3.63Å; Q182-M285 PolarHBondContact NE2-SD 3.2Å | ||
| 183 | L | 90.7 | Very high | 91.3 | Very high | 15 Ų | 15 | 48.8 Ų | 48.8 | 8% | 0.079 | 24% | 0.239 | C | C | . | . | trans | -71.5 | 142.7 | 172.6 | -62.1 | -173.9 | 0 | 0 | 0 | 111.4 | S181 E187 L188 I215 R218 V219 | S181-L183 PolarHBondContact O-N 2.83Å; S181-L183 VanDerWaalsContact O-N 3.13Å; L183-E187 HydrophobicContact CB-CB 4.4Å; L183-L188 HydrophobicContact CB-CD2 3.84Å; L183-L188 HydrophobicContact CB-CG 4.04Å; L183-L188 HydrophobicContact CD1-CD2 4.2Å; L183-I215 HydrophobicContact CD1-CB 4.23Å; L183-I215 HydrophobicContact CD1-CG1 4.01Å; L183-I215 HydrophobicContact CD1-CG2 4Å; L183-R218 HydrophobicContact CD1-CB 4.1Å; L183-R218 HydrophobicContact CD1-CG 3.88Å; L183-R218 HydrophobicContact CD2-CB 4.33Å; L183-R218 HydrophobicContact CD2-CG 3.52Å; L183-R218 HydrophobicContact CG-CG 4.38Å; L183-V219 HydrophobicContact CD1-CG2 4.34Å; L183-V219 HydrophobicContact CD2-CG2 3.72Å; L183-V219 HydrophobicContact CG-CG2 3.95Å | ||
| 184 | P | 92.4 | Very high | 91.5 | Very high | 67 Ų | 67 | 48.8 Ų | 48.8 | 44% | 0.435 | 23% | 0.234 | S | C | . | . | trans | -54.8 | 148.9 | 174.6 | -26.8 | 34.5 | 0 | 0 | 0 | 112.8 | D186 E187 L188 | P184-D186 PolarHBondContact O-N 3.1Å; P184-D186 VanDerWaalsContact O-N 3.1Å; P184-E187 HydrophobicContact CB-CB 4.43Å; P184-E187 HydrophobicContact CB-CG 4.33Å; P184-E187 HydrophobicContact CG-CG 4.3Å; P184-E187 WeakPolarHBondContact O-CA 3.28Å; P184-E187 WeakPolarHBondContact O-CB 3.47Å; P184-E187 PolarHBondContact O-N 3.08Å; P184-L188 PolarHBondContact O-N 2.76Å | ||
| 185 | R | 91.2 | Very high | 91.6 | Very high | 100 Ų | 100 | 48.8 Ų | 48.8 | 38% | 0.377 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -45.9 | -42.4 | 175.5 | -157.9 | 100.3 | -174.8 | 175.3 | -170.2 | 112.7 | F175 G189 F257 | F175-R185 HydrophobicContact CZ-CG 4Å; R185-G189 PolarHBondContact O-N 3.47Å; R185-F257 HydrophobicContact CB-CD2 4.29Å; R185-F257 HydrophobicContact CG-CB 4.22Å; R185-F257 HydrophobicContact CG-CD1 4.23Å; R185-F257 HydrophobicContact CG-CD2 3.13Å; R185-F257 HydrophobicContact CG-CE1 4.48Å; R185-F257 HydrophobicContact CG-CE2 3.37Å; R185-F257 HydrophobicContact CG-CG 3.59Å; R185-F257 HydrophobicContact CG-CZ 4.07Å; R185-F257 VanDerWaalsContact NH1-CZ 3.33Å |
| 186 | D | 92.8 | Very high | 91.8 | Very high | 103 Ų | 103 | 48.1 Ų | 48.1 | 55% | 0.551 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -75.1 | -30.4 | -179.1 | -49.8 | -48.4 | 0 | 0 | 0 | 113.4 | P184 K190 | P184-D186 PolarHBondContact O-N 3.1Å; P184-D186 VanDerWaalsContact O-N 3.1Å; D186-K190 WeakPolarHBondContact O-CG 3.27Å; D186-K190 PolarHBondContact O-N 3.05Å |
| 187 | E | 93 | Very high | 91.8 | Very high | 35 Ų | 35 | 44.8 Ų | 44.8 | 16% | 0.164 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -71.6 | -43.1 | 173.6 | -73.9 | -164.4 | -169 | 0 | 0 | 110.5 | L183 P184 G189 K190 V191 R218 I225 | L183-E187 HydrophobicContact CB-CB 4.4Å; P184-E187 HydrophobicContact CB-CB 4.43Å; P184-E187 HydrophobicContact CB-CG 4.33Å; P184-E187 HydrophobicContact CG-CG 4.3Å; P184-E187 WeakPolarHBondContact O-CA 3.28Å; P184-E187 WeakPolarHBondContact O-CB 3.47Å; P184-E187 PolarHBondContact O-N 3.08Å; E187-G189 VanDerWaalsContact C-N 3.33Å; E187-G189 PolarHBondContact O-N 2.72Å; E187-K190 WeakPolarHBondContact O-CB 3.44Å; E187-K190 PolarHBondContact O-N 2.65Å; E187-K190 VanDerWaalsContact O-N 3.1Å; E187-V191 WeakPolarHBondContact O-CG2 3.31Å; E187-V191 PolarHBondContact O-N 2.94Å; E187-R218 IonicContact OE1-CZ 2.67Å; E187-R218 IonicContact OE1-NE 3.29Å; E187-R218 PolarHBondContact OE1-NE 3.11Å; E187-R218 IonicContact OE1-NH2 3.6Å; E187-R218 PolarHBondContact OE1-NH2 2.97Å; E187-R218 WeakPolarHBondContact OE2-CG 3.46Å; E187-R218 IonicContact OE2-CZ 2.75Å; E187-R218 IonicContact OE2-NE 2.89Å; E187-R218 PolarHBondContact OE2-NE 3.32Å; E187-R218 IonicContact OE2-NH2 3.94Å; E187-I225 HydrophobicContact CB-CD1 3.59Å; E187-I225 HydrophobicContact CG-CD1 3.92Å |
| 188 | L | 93.7 | Very high | 91.6 | Very high | 9 Ų | 9 | 45.5 Ų | 45.5 | 5% | 0.047 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.5 | -39.4 | 173.9 | -64.6 | 179 | 0 | 0 | 0 | 112.3 | F175 F178 L179 L183 P184 K190 V191 W192 I215 | F175-L188 HydrophobicContact CE2-CB 4.28Å; F175-L188 HydrophobicContact CZ-CD1 4.26Å; F178-L188 HydrophobicContact CB-CD1 4.27Å; F178-L188 HydrophobicContact CB-CD2 4.05Å; L179-L188 HydrophobicContact CB-CD1 4.33Å; L179-L188 HydrophobicContact CD1-CD1 4.06Å; L183-L188 HydrophobicContact CB-CD2 3.84Å; L183-L188 HydrophobicContact CB-CG 4.04Å; L183-L188 HydrophobicContact CD1-CD2 4.2Å; P184-L188 PolarHBondContact O-N 2.76Å; L188-K190 VanDerWaalsContact C-N 3.28Å; L188-K190 PolarHBondContact O-N 3.2Å; L188-V191 PolarHBondContact O-N 3.03Å; L188-W192 PolarHBondContact O-N 2.88Å; L188-I215 HydrophobicContact CD2-CD1 4.12Å; L188-I215 HydrophobicContact CD2-CG1 4.37Å |
| 189 | G | 92.4 | Very high | 91.4 | Very high | 8 Ų | 8 | 52.7 Ų | 52.7 | 8% | 0.082 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.4 | -33.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R185 E187 K193 | R185-G189 PolarHBondContact O-N 3.47Å; E187-G189 VanDerWaalsContact C-N 3.33Å; E187-G189 PolarHBondContact O-N 2.72Å; G189-K193 WeakPolarHBondContact O-CG 3.27Å; G189-K193 PolarHBondContact O-N 3.1Å |
| 190 | K | 92.9 | Very high | 91.4 | Very high | 123 Ų | 123 | 50.3 Ų | 50.3 | 54% | 0.535 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -72.7 | -45.8 | 172.7 | -69.8 | 165.8 | -172.7 | 173.4 | 0 | 111.8 | D186 E187 L188 W192 K193 L194 I225 | D186-K190 WeakPolarHBondContact O-CG 3.27Å; D186-K190 PolarHBondContact O-N 3.05Å; E187-K190 WeakPolarHBondContact O-CB 3.44Å; E187-K190 PolarHBondContact O-N 2.65Å; E187-K190 VanDerWaalsContact O-N 3.1Å; L188-K190 VanDerWaalsContact C-N 3.28Å; L188-K190 PolarHBondContact O-N 3.2Å; K190-W192 VanDerWaalsContact C-N 3.29Å; K190-W192 PolarHBondContact O-N 3.38Å; K190-K193 PolarHBondContact O-N 3.32Å; K190-L194 WeakPolarHBondContact O-CD1 3.44Å; K190-L194 VanDerWaalsContact O-CG 3.32Å; K190-L194 WeakPolarHBondContact O-CG 3.48Å; K190-L194 PolarHBondContact O-N 3.16Å; K190-L194 VanDerWaalsContact O-N 3.09Å; K190-I225 HydrophobicContact CB-CG2 4.43Å |
| 191 | V | 93.3 | Very high | 91.5 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.024 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -55.8 | -45.6 | 176.1 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | E187 L188 K193 L194 A195 A211 L214 I215 I225 | E187-V191 WeakPolarHBondContact O-CG2 3.31Å; E187-V191 PolarHBondContact O-N 2.94Å; L188-V191 PolarHBondContact O-N 3.03Å; V191-K193 PolarHBondContact O-N 3.49Å; V191-L194 PolarHBondContact O-N 3.33Å; V191-A195 WeakPolarHBondContact O-CB 3.36Å; V191-A195 PolarHBondContact O-N 3Å; V191-A211 HydrophobicContact CG1-CB 3.93Å; V191-A211 WeakPolarHBondContact CG1-O 3.4Å; V191-L214 HydrophobicContact CG1-CB 4.27Å; V191-L214 HydrophobicContact CG1-CD1 4.44Å; V191-L214 HydrophobicContact CG2-CB 4.2Å; V191-I215 HydrophobicContact CG1-CD1 4.19Å; V191-I215 HydrophobicContact CG1-CG1 4.03Å; V191-I215 HydrophobicContact CG2-CG1 4.24Å; V191-I225 HydrophobicContact CG2-CD1 3.81Å; V191-I225 HydrophobicContact CG2-CG1 4.2Å; V191-I225 HydrophobicContact CG2-CG2 4.31Å |
| 192 | W | 92.8 | Very high | 91.6 | Very high | 42 Ų | 42 | 51.3 Ų | 51.3 | 16% | 0.159 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.3 | -52.2 | 176.7 | -172.8 | -75.7 | 0 | 0 | 0 | 111.7 | G169 V174 F178 L188 K190 L194 A195 D196 L203 | G169-W192 VanDerWaalsContact CA-CZ2 3.41Å; V174-W192 HydrophobicContact CG1-CH2 4.37Å; V174-W192 HydrophobicContact CG1-CZ3 3.77Å; F178-W192 HydrophobicContact CE2-CE3 4.18Å; F178-W192 HydrophobicContact CE2-CZ3 4.02Å; L188-W192 PolarHBondContact O-N 2.88Å; K190-W192 VanDerWaalsContact C-N 3.29Å; K190-W192 PolarHBondContact O-N 3.38Å; W192-L194 PolarHBondContact O-N 3.21Å; W192-A195 PolarHBondContact O-N 3.44Å; W192-A195 VanDerWaalsContact O-N 3.11Å; W192-D196 PolarHBondContact NE1-OD2 3.41Å; W192-D196 VanDerWaalsContact O-CB 3.31Å; W192-D196 WeakPolarHBondContact O-CB 3.16Å; W192-D196 PolarHBondContact O-N 2.83Å; W192-L203 HydrophobicContact CE3-CD1 3.9Å; W192-L203 HydrophobicContact CE3-CG 4.48Å; W192-L203 HydrophobicContact CH2-CD1 3.68Å; W192-L203 HydrophobicContact CH2-CD2 4.45Å; W192-L203 HydrophobicContact CH2-CG 3.55Å; W192-L203 HydrophobicContact CZ2-CD1 4.32Å; W192-L203 HydrophobicContact CZ2-CD2 4.34Å; W192-L203 HydrophobicContact CZ2-CG 3.87Å; W192-L203 HydrophobicContact CZ3-CD1 3.47Å; W192-L203 VanDerWaalsContact CZ3-CD1 3.47Å; W192-L203 HydrophobicContact CZ3-CG 3.91Å |
| 193 | K | 92.5 | Very high | 91.7 | Very high | 108 Ų | 108 | 45.1 Ų | 45.1 | 47% | 0.47 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63 | -21.8 | -178.9 | -69.4 | -179.8 | -169.6 | -157.8 | 0 | 114 | G189 K190 V191 T255 | G189-K193 WeakPolarHBondContact O-CG 3.27Å; G189-K193 PolarHBondContact O-N 3.1Å; K190-K193 PolarHBondContact O-N 3.32Å; V191-K193 PolarHBondContact O-N 3.49Å; K193-T255 PolarHBondContact NZ-OG1 2.78Å |
| 194 | L | 92.3 | Very high | 91.8 | Very high | 23 Ų | 23 | 45.8 Ų | 45.8 | 12% | 0.12 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -87.5 | -29.4 | 176 | -67.5 | 163.2 | 0 | 0 | 0 | 112.7 | K190 V191 W192 L214 I225 P226 L229 | K190-L194 WeakPolarHBondContact O-CD1 3.44Å; K190-L194 VanDerWaalsContact O-CG 3.32Å; K190-L194 WeakPolarHBondContact O-CG 3.48Å; K190-L194 PolarHBondContact O-N 3.16Å; K190-L194 VanDerWaalsContact O-N 3.09Å; V191-L194 PolarHBondContact O-N 3.33Å; W192-L194 PolarHBondContact O-N 3.21Å; L194-L214 HydrophobicContact CB-CD1 3.98Å; L194-L214 HydrophobicContact CD1-CD1 4.14Å; L194-I225 HydrophobicContact CD1-CG2 3.51Å; L194-P226 WeakPolarHBondContact CD1-O 3.45Å; L194-L229 HydrophobicContact CB-CD1 4.45Å |
| 195 | A | 92.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -87.1 | -35.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V191 W192 V197 L203 E207 V210 A211 | V191-A195 WeakPolarHBondContact O-CB 3.36Å; V191-A195 PolarHBondContact O-N 3Å; W192-A195 PolarHBondContact O-N 3.44Å; W192-A195 VanDerWaalsContact O-N 3.11Å; A195-V197 PolarHBondContact O-N 3.11Å; A195-L203 HydrophobicContact CB-CD2 3.88Å; A195-E207 WeakPolarHBondContact CB-O 3.25Å; A195-E207 WeakPolarHBondContact O-CB 3.35Å; A195-E207 WeakPolarHBondContact O-CG 3.43Å; A195-V210 HydrophobicContact CB-CG1 4.31Å; A195-A211 HydrophobicContact CB-CB 3.67Å |
| 196 | D | 93.1 | Very high | 91.7 | Very high | 10 Ų | 10 | 42.4 Ų | 42.4 | 5% | 0.053 | 21% | 0.208 | C | C | . | . | trans | -76.9 | 66.1 | 178.2 | -168.6 | -9 | 0 | 0 | 0 | 110.7 | W192 N198 E199 D200 G201 L203 | W192-D196 PolarHBondContact NE1-OD2 3.41Å; W192-D196 VanDerWaalsContact O-CB 3.31Å; W192-D196 WeakPolarHBondContact O-CB 3.16Å; W192-D196 PolarHBondContact O-N 2.83Å; D196-N198 PolarHBondContact O-N 3.36Å; D196-N198 PolarHBondContact OD1-OD1 3.29Å; D196-E199 PolarHBondContact O-N 2.94Å; D196-E199 VanDerWaalsContact O-N 3.15Å; D196-E199 WeakPolarHBondContact OD1-CA 3.48Å; D196-E199 PolarHBondContact OD1-N 3.44Å; D196-E199 VanDerWaalsContact OD1-N 3.11Å; D196-D200 PolarHBondContact OD1-N 2.85Å; D196-G201 WeakPolarHBondContact OD2-CA 3.33Å; D196-G201 PolarHBondContact OD2-N 3.43Å; D196-L203 HydrophobicContact CB-CD2 4.11Å | ||
| 197 | V | 88.7 | Confident | 91.8 | Very high | 28 Ų | 28 | 37.7 Ų | 37.7 | 17% | 0.17 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -18.8 | -170.7 | 174 | 0 | 0 | 0 | 0 | 113.2 | A195 L229 V234 P235 R237 | A195-V197 PolarHBondContact O-N 3.11Å; V197-L229 HydrophobicContact CG2-CD2 3.97Å; V197-V234 HydrophobicContact CG1-CG1 4.23Å; V197-P235 HydrophobicContact CB-CG 4.46Å; V197-P235 HydrophobicContact CG2-CG 4.24Å; V197-R237 HydrophobicContact CG1-CG 4.23Å; V197-R237 PolarHBondContact O-NH1 2.86Å |
| 198 | N | 87.5 | Confident | 91.8 | Very high | 25 Ų | 25 | 36 Ų | 36 | 13% | 0.134 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -9.6 | 174.7 | 68.5 | 41.6 | 0 | 0 | 0 | 113.2 | D196 D200 E207 | D196-N198 PolarHBondContact O-N 3.36Å; D196-N198 PolarHBondContact OD1-OD1 3.29Å; N198-D200 PolarHBondContact O-N 3.46Å; N198-D200 WeakPolarHBondContact OD1-CA 3.34Å; N198-D200 WeakPolarHBondContact OD1-CB 3.36Å; N198-D200 PolarHBondContact OD1-N 2.95Å; N198-D200 PolarHBondContact OD1-OD1 2.99Å; N198-E207 PolarHBondContact ND2-OE1 3.03Å; N198-E207 PolarHBondContact ND2-OE2 2.87Å |
| 199 | E | 89 | Confident | 91.7 | Very high | 165 Ų | 165 | 35.8 Ų | 35.8 | 77% | 0.771 | 17% | 0.174 | S | C | * | . | trans | 53.5 | 27 | -175.9 | -59.2 | -176 | 174.1 | 0 | 0 | 114.4 | D196 G201 | D196-E199 PolarHBondContact O-N 2.94Å; D196-E199 VanDerWaalsContact O-N 3.15Å; D196-E199 WeakPolarHBondContact OD1-CA 3.48Å; D196-E199 PolarHBondContact OD1-N 3.44Å; D196-E199 VanDerWaalsContact OD1-N 3.11Å; E199-G201 VanDerWaalsContact C-N 3.3Å | ||
| 200 | D | 91 | Very high | 91.8 | Very high | 22 Ų | 22 | 35.6 Ų | 35.6 | 12% | 0.118 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -81.4 | -10.2 | 179.3 | 88.9 | 4.2 | 0 | 0 | 0 | 113.2 | D196 N198 Y202 P240 R241 | D196-D200 PolarHBondContact OD1-N 2.85Å; N198-D200 PolarHBondContact O-N 3.46Å; N198-D200 WeakPolarHBondContact OD1-CA 3.34Å; N198-D200 WeakPolarHBondContact OD1-CB 3.36Å; N198-D200 PolarHBondContact OD1-N 2.95Å; N198-D200 PolarHBondContact OD1-OD1 2.99Å; D200-Y202 WeakPolarHBondContact O-CD2 3.28Å; D200-Y202 WeakPolarHBondContact OD1-CB 3.35Å; D200-Y202 WeakPolarHBondContact OD1-CD2 3.35Å; D200-Y202 PolarHBondContact OD1-N 3.07Å; D200-P240 HydrophobicContact CB-CB 4.47Å; D200-R241 IonicContact OD1-CZ 3.59Å; D200-R241 IonicContact OD1-NE 3.48Å; D200-R241 IonicContact OD1-NH2 2.73Å; D200-R241 PolarHBondContact OD1-NH2 3.45Å; D200-R241 VanDerWaalsContact OD1-NH2 3.12Å; D200-R241 IonicContact OD2-CZ 3.63Å; D200-R241 PolarHBondContact OD2-N 3.31Å; D200-R241 IonicContact OD2-NE 2.78Å; D200-R241 PolarHBondContact OD2-NE 3.02Å; D200-R241 IonicContact OD2-NH2 3.12Å; D200-R241 PolarHBondContact OD2-NH2 3.32Å |
| 201 | G | 90.6 | Very high | 91.8 | Very high | 11 Ų | 11 | 29.8 Ų | 29.8 | 11% | 0.113 | 15% | 0.146 | C | C | . | . | S | Bend | trans | 84.7 | 15.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | G169 D196 E199 | G169-G201 WeakPolarHBondContact CA-O 3.09Å; G169-G201 PolarHBondContact N-O 3.12Å; D196-G201 WeakPolarHBondContact OD2-CA 3.33Å; D196-G201 PolarHBondContact OD2-N 3.43Å; E199-G201 VanDerWaalsContact C-N 3.3Å |
| 202 | Y | 91.7 | Very high | 91.8 | Very high | 50 Ų | 50 | 30.1 Ų | 30.1 | 20% | 0.196 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 146.5 | 175.6 | -56.8 | -116.5 | 0 | 0 | 0 | 110.3 | V167 R168 D200 R241 | V167-Y202 CarbonylContact O-C 3.58Å; V167-Y202 WeakPolarHBondContact O-CA 3.49Å; V167-Y202 WeakPolarHBondContact O-CB 3.3Å; R168-Y202 VanDerWaalsContact CA-CD1 3.44Å; R168-Y202 HydrophobicContact CB-CD1 3.54Å; R168-Y202 HydrophobicContact CB-CE1 3.59Å; R168-Y202 HydrophobicContact CB-CG 4.43Å; R168-Y202 HydrophobicContact CG-CD1 3.81Å; R168-Y202 HydrophobicContact CG-CE1 3.52Å; R168-Y202 HydrophobicContact CG-CG 4.47Å; D200-Y202 WeakPolarHBondContact O-CD2 3.28Å; D200-Y202 WeakPolarHBondContact OD1-CB 3.35Å; D200-Y202 WeakPolarHBondContact OD1-CD2 3.35Å; D200-Y202 PolarHBondContact OD1-N 3.07Å; Y202-R241 VanDerWaalsContact CB-CZ 3.44Å; Y202-R241 VanDerWaalsContact CB-NH1 3.32Å |
| 203 | L | 91.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 119.9 | 175.9 | -60.3 | 172.7 | 0 | 0 | 0 | 110.9 | A166 V167 F178 W192 A195 D196 E207 F208 A211 | A166-L203 CarbonylContact C-O 3.41Å; A166-L203 WeakPolarHBondContact CA-O 3.47Å; A166-L203 VanDerWaalsContact CB-O 3.3Å; A166-L203 WeakPolarHBondContact CB-O 3.42Å; V167-L203 PolarHBondContact N-O 3.32Å; V167-L203 PolarHBondContact O-N 3.22Å; F178-L203 HydrophobicContact CE2-CD1 4.13Å; F178-L203 HydrophobicContact CZ-CD1 4.05Å; W192-L203 HydrophobicContact CE3-CD1 3.9Å; W192-L203 HydrophobicContact CE3-CG 4.48Å; W192-L203 HydrophobicContact CH2-CD1 3.68Å; W192-L203 HydrophobicContact CH2-CD2 4.45Å; W192-L203 HydrophobicContact CH2-CG 3.55Å; W192-L203 HydrophobicContact CZ2-CD1 4.32Å; W192-L203 HydrophobicContact CZ2-CD2 4.34Å; W192-L203 HydrophobicContact CZ2-CG 3.87Å; W192-L203 HydrophobicContact CZ3-CD1 3.47Å; W192-L203 VanDerWaalsContact CZ3-CD1 3.47Å; W192-L203 HydrophobicContact CZ3-CG 3.91Å; A195-L203 HydrophobicContact CB-CD2 3.88Å; D196-L203 HydrophobicContact CB-CD2 4.11Å; L203-E207 HydrophobicContact CB-CB 4.26Å; L203-E207 HydrophobicContact CD2-CB 3.84Å; L203-F208 HydrophobicContact CB-CB 4.31Å; L203-A211 HydrophobicContact CD1-CB 4.24Å |
| 204 | N | 91.9 | Very high | 91.8 | Very high | 28 Ų | 28 | 23.4 Ų | 23.4 | 15% | 0.15 | 12% | 0.12 | C | C | . | . | trans | -69.7 | 171.8 | 163.7 | -60.3 | -69 | 0 | 0 | 0 | 110.6 | A166 D206 E207 F208 T238 | A166-N204 HydrophobicContact CB-CB 4.41Å; A166-N204 VanDerWaalsContact CB-OD1 3.28Å; A166-N204 WeakPolarHBondContact CB-OD1 3.4Å; N204-D206 VanDerWaalsContact C-N 3.32Å; N204-D206 PolarHBondContact O-N 2.83Å; N204-E207 VanDerWaalsContact CB-OE2 3.31Å; N204-E207 WeakPolarHBondContact CB-OE2 3.35Å; N204-E207 PolarHBondContact N-OE2 2.96Å; N204-E207 PolarHBondContact ND2-OE2 3.32Å; N204-E207 PolarHBondContact O-N 3.5Å; N204-F208 WeakPolarHBondContact O-CB 3.45Å; N204-F208 PolarHBondContact O-N 3.48Å; N204-T238 PolarHBondContact ND2-OG1 3.25Å | ||
| 205 | L | 92.1 | Very high | 91.8 | Very high | 24 Ų | 24 | 22.6 Ų | 22.6 | 13% | 0.126 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -53.8 | -47.5 | 179.6 | 175.5 | 63.1 | 0 | 0 | 0 | 112.1 | F143 T147 F150 L163 E207 F208 C209 | F143-L205 HydrophobicContact CZ-CD2 3.97Å; F143-L205 HydrophobicContact CZ-CG 4.4Å; T147-L205 HydrophobicContact CG2-CD1 4.4Å; F150-L205 HydrophobicContact CB-CD1 3.91Å; F150-L205 HydrophobicContact CD1-CB 4.18Å; F150-L205 HydrophobicContact CD1-CD1 3.62Å; F150-L205 HydrophobicContact CD1-CG 4.46Å; F150-L205 HydrophobicContact CE1-CB 3.86Å; F150-L205 HydrophobicContact CE1-CD1 4.2Å; F150-L205 HydrophobicContact CG-CD1 3.81Å; F150-L205 HydrophobicContact CZ-CB 4.18Å; L163-L205 HydrophobicContact CD2-CD1 4.44Å; L163-L205 HydrophobicContact CD2-CD2 4.29Å; L205-E207 PolarHBondContact O-N 3.49Å; L205-F208 PolarHBondContact O-N 2.94Å; L205-C209 WeakPolarHBondContact O-CB 3.26Å; L205-C209 PolarHBondContact O-N 3.22Å; L205-C209 PolarHBondContact O-SG 2.92Å |
| 206 | D | 91.2 | Very high | 91.8 | Very high | 72 Ų | 72 | 23.9 Ų | 23.9 | 39% | 0.385 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -65.1 | -41.7 | -178.2 | -57.7 | -41.6 | 0 | 0 | 0 | 112 | N204 C209 V210 P235 | N204-D206 VanDerWaalsContact C-N 3.32Å; N204-D206 PolarHBondContact O-N 2.83Å; D206-C209 WeakPolarHBondContact O-CB 3.42Å; D206-C209 PolarHBondContact O-N 2.62Å; D206-V210 WeakPolarHBondContact O-CG2 3.37Å; D206-V210 PolarHBondContact O-N 3.08Å; D206-P235 HydrophobicContact CB-CB 3.67Å |
| 207 | E | 93.2 | Very high | 91.6 | Very high | 5 Ų | 5 | 24.9 Ų | 24.9 | 2% | 0.023 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.8 | -37 | 176.9 | -66.2 | 166.3 | 147.7 | 0 | 0 | 111.4 | A195 N198 L203 N204 L205 V210 A211 P235 | A195-E207 WeakPolarHBondContact CB-O 3.25Å; A195-E207 WeakPolarHBondContact O-CB 3.35Å; A195-E207 WeakPolarHBondContact O-CG 3.43Å; N198-E207 PolarHBondContact ND2-OE1 3.03Å; N198-E207 PolarHBondContact ND2-OE2 2.87Å; L203-E207 HydrophobicContact CB-CB 4.26Å; L203-E207 HydrophobicContact CD2-CB 3.84Å; N204-E207 VanDerWaalsContact CB-OE2 3.31Å; N204-E207 WeakPolarHBondContact CB-OE2 3.35Å; N204-E207 PolarHBondContact N-OE2 2.96Å; N204-E207 PolarHBondContact ND2-OE2 3.32Å; N204-E207 PolarHBondContact O-N 3.5Å; L205-E207 PolarHBondContact O-N 3.49Å; E207-V210 WeakPolarHBondContact O-CB 3.46Å; E207-V210 PolarHBondContact O-N 3.44Å; E207-A211 PolarHBondContact O-N 3.37Å; E207-P235 HydrophobicContact CG-CB 4.29Å; E207-P235 HydrophobicContact CG-CG 3.65Å |
| 208 | F | 93.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.9 | -39.7 | 172.5 | 178.6 | -92.3 | 0 | 0 | 0 | 112.2 | Y146 C149 F150 L153 F177 F178 L203 N204 L205 V210 A211 M212 | Y146-F208 WeakPolarHBondContact O-CE1 3.4Å; C149-F208 HydrophobicContact CB-CE1 4Å; C149-F208 HydrophobicContact CB-CZ 4.12Å; F150-F208 HydrophobicContact CB-CD1 3.72Å; F150-F208 HydrophobicContact CB-CE1 3.79Å; F150-F208 HydrophobicContact CB-CG 4.4Å; F150-F208 HydrophobicContact CD2-CB 3.57Å; F150-F208 AromaticContact CD2-CD1 3.65Å; F150-F208 HydrophobicContact CD2-CD1 3.65Å; F150-F208 AromaticContact CD2-CD2 3.93Å; F150-F208 HydrophobicContact CD2-CD2 3.93Å; F150-F208 HydrophobicContact CD2-CE1 4.28Å; F150-F208 AromaticContact CD2-CG 3.43Å; F150-F208 HydrophobicContact CD2-CG 3.43Å; F150-F208 VanDerWaalsContact CD2-CG 3.43Å; F150-F208 HydrophobicContact CE2-CB 3.77Å; F150-F208 HydrophobicContact CE2-CG 4.1Å; F150-F208 HydrophobicContact CG-CD1 4.11Å; F150-F208 HydrophobicContact CG-CG 4.33Å; L153-F208 HydrophobicContact CD2-CD2 4.33Å; L153-F208 HydrophobicContact CD2-CE2 3.62Å; L153-F208 HydrophobicContact CD2-CZ 4.33Å; F177-F208 HydrophobicContact CD1-CE2 4.44Å; F177-F208 AromaticContact CE1-CE2 3.93Å; F177-F208 HydrophobicContact CE1-CE2 3.93Å; F177-F208 AromaticContact CE1-CZ 3.66Å; F177-F208 HydrophobicContact CE1-CZ 3.66Å; F177-F208 HydrophobicContact CZ-CZ 4.12Å; F178-F208 HydrophobicContact CE1-CD2 4.31Å; F178-F208 AromaticContact CE1-CE2 3.87Å; F178-F208 HydrophobicContact CE1-CE2 3.87Å; F178-F208 AromaticContact CZ-CD2 3.85Å; F178-F208 HydrophobicContact CZ-CD2 3.85Å; F178-F208 AromaticContact CZ-CE2 3.76Å; F178-F208 HydrophobicContact CZ-CE2 3.76Å; L203-F208 HydrophobicContact CB-CB 4.31Å; N204-F208 WeakPolarHBondContact O-CB 3.45Å; N204-F208 PolarHBondContact O-N 3.48Å; L205-F208 PolarHBondContact O-N 2.94Å; F208-V210 VanDerWaalsContact C-N 3.28Å; F208-V210 PolarHBondContact O-N 3.1Å; F208-A211 PolarHBondContact O-N 2.83Å; F208-M212 HydrophobicContact CE1-CB 4.49Å; F208-M212 HydrophobicContact CE1-CE 4.3Å; F208-M212 HydrophobicContact CE2-CE 4.41Å; F208-M212 HydrophobicContact CZ-CE 3.77Å; F208-M212 WeakPolarHBondContact O-CB 3.45Å; F208-M212 PolarHBondContact O-N 3.03Å |
| 209 | C | 92.7 | Very high | 91.8 | Very high | 3 Ų | 3 | 27.8 Ų | 27.8 | 2% | 0.02 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.5 | -40.2 | 172.5 | -75.7 | 0 | 0 | 0 | 0 | 111.4 | I138 Y146 L205 D206 H213 | I138-C209 HydrophobicContact CD1-CB 4.12Å; Y146-C209 VanDerWaalsContact CB-SG 3.56Å; Y146-C209 HydrophobicContact CD2-CB 4Å; L205-C209 WeakPolarHBondContact O-CB 3.26Å; L205-C209 PolarHBondContact O-N 3.22Å; L205-C209 PolarHBondContact O-SG 2.92Å; D206-C209 WeakPolarHBondContact O-CB 3.42Å; D206-C209 PolarHBondContact O-N 2.62Å; C209-H213 VanDerWaalsContact O-CB 3.31Å; C209-H213 WeakPolarHBondContact O-CB 2.94Å; C209-H213 PolarHBondContact O-N 3.03Å |
| 210 | V | 92.7 | Very high | 91.7 | Very high | 5 Ų | 5 | 26.1 Ų | 26.1 | 3% | 0.03 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.6 | -50.6 | 172.4 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | A195 D206 E207 F208 M212 H213 L214 L229 M233 P235 | A195-V210 HydrophobicContact CB-CG1 4.31Å; D206-V210 WeakPolarHBondContact O-CG2 3.37Å; D206-V210 PolarHBondContact O-N 3.08Å; E207-V210 WeakPolarHBondContact O-CB 3.46Å; E207-V210 PolarHBondContact O-N 3.44Å; F208-V210 VanDerWaalsContact C-N 3.28Å; F208-V210 PolarHBondContact O-N 3.1Å; V210-M212 VanDerWaalsContact C-N 3.33Å; V210-M212 PolarHBondContact O-N 3.13Å; V210-H213 PolarHBondContact O-N 2.67Å; V210-L214 HydrophobicContact CG1-CD1 4.39Å; V210-L214 WeakPolarHBondContact O-CG 3.38Å; V210-L214 PolarHBondContact O-N 2.97Å; V210-L229 HydrophobicContact CG1-CD1 3.51Å; V210-L229 HydrophobicContact CG1-CD2 4.05Å; V210-L229 HydrophobicContact CG1-CG 4.44Å; V210-M233 HydrophobicContact CB-CE 4.22Å; V210-M233 HydrophobicContact CG1-CE 3.95Å; V210-M233 HydrophobicContact CG2-CE 4.17Å; V210-M233 WeakPolarHBondContact CG2-O 3.38Å; V210-P235 HydrophobicContact CG2-CG 4.46Å |
| 211 | A | 93.6 | Very high | 91 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -55.9 | -47.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F178 V191 A195 L203 E207 F208 L214 I215 | F178-A211 HydrophobicContact CE1-CB 4.29Å; F178-A211 HydrophobicContact CZ-CB 4.07Å; V191-A211 HydrophobicContact CG1-CB 3.93Å; V191-A211 WeakPolarHBondContact CG1-O 3.4Å; A195-A211 HydrophobicContact CB-CB 3.67Å; L203-A211 HydrophobicContact CD1-CB 4.24Å; E207-A211 PolarHBondContact O-N 3.37Å; F208-A211 PolarHBondContact O-N 2.83Å; A211-L214 PolarHBondContact O-N 3.11Å; A211-I215 VanDerWaalsContact O-CG1 3.31Å; A211-I215 WeakPolarHBondContact O-CG1 3.36Å; A211-I215 PolarHBondContact O-N 2.83Å; A211-I215 VanDerWaalsContact O-N 3.1Å |
| 212 | M | 93.9 | Very high | 90.7 | Very high | 11 Ų | 11 | 33 Ų | 33 | 5% | 0.054 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.7 | -38.2 | -179.9 | -170 | 57.2 | 68.1 | 0 | 0 | 112.1 | Y146 F177 F178 F208 V210 L214 I215 V216 | Y146-M212 HydrophobicContact CD1-CB 3.9Å; Y146-M212 HydrophobicContact CD1-CG 3.27Å; Y146-M212 HydrophobicContact CD2-CB 4.21Å; Y146-M212 HydrophobicContact CD2-CG 4.44Å; Y146-M212 HydrophobicContact CE1-CB 3.99Å; Y146-M212 HydrophobicContact CE1-CG 3.25Å; Y146-M212 HydrophobicContact CE2-CB 4.28Å; Y146-M212 HydrophobicContact CE2-CG 4.41Å; Y146-M212 HydrophobicContact CG-CB 4.02Å; Y146-M212 HydrophobicContact CG-CG 3.91Å; F177-M212 HydrophobicContact CE1-CE 3.51Å; F177-M212 HydrophobicContact CZ-CE 4.08Å; F178-M212 HydrophobicContact CE1-CE 4.24Å; F208-M212 HydrophobicContact CE1-CB 4.49Å; F208-M212 HydrophobicContact CE1-CE 4.3Å; F208-M212 HydrophobicContact CE2-CE 4.41Å; F208-M212 HydrophobicContact CZ-CE 3.77Å; F208-M212 WeakPolarHBondContact O-CB 3.45Å; F208-M212 PolarHBondContact O-N 3.03Å; V210-M212 VanDerWaalsContact C-N 3.33Å; V210-M212 PolarHBondContact O-N 3.13Å; M212-L214 PolarHBondContact O-N 3.48Å; M212-I215 PolarHBondContact O-N 3.14Å; M212-V216 HydrophobicContact CG-CG2 4.25Å; M212-V216 WeakPolarHBondContact O-CB 3.48Å; M212-V216 WeakPolarHBondContact O-CG2 3.46Å; M212-V216 PolarHBondContact O-N 3.06Å; M212-V216 HydrophobicContact SD-CG2 4.2Å |
| 213 | H | 92 | Very high | 90.4 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 2% | 0.019 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.2 | -41.8 | 176 | -164.2 | 73.5 | 0 | 0 | 0 | 112.9 | S135 F136 V137 I138 L142 Y146 C209 V210 I215 R217 M233 | S135-H213 PolarHBondContact O-NE2 2.8Å; F136-H213 WeakPolarHBondContact CA-NE2 3.31Å; F136-H213 PolarHBondContact O-NE2 2.86Å; V137-H213 PolarHBondContact O-CE1 3.33Å; I138-H213 HydrophobicContact CD1-CB 4.16Å; I138-H213 HydrophobicContact CG1-CB 4.23Å; L142-H213 WeakPolarHBondContact CD2-CE1 3.47Å; L142-H213 WeakPolarHBondContact CD2-ND1 3.43Å; Y146-H213 HydrophobicContact CE2-CB 3.85Å; Y146-H213 VanDerWaalsContact OH-CA 3.31Å; Y146-H213 WeakPolarHBondContact OH-CA 3.33Å; Y146-H213 PolarHBondContact OH-ND1 3.13Å; C209-H213 VanDerWaalsContact O-CB 3.31Å; C209-H213 WeakPolarHBondContact O-CB 2.94Å; C209-H213 PolarHBondContact O-N 3.03Å; V210-H213 PolarHBondContact O-N 2.67Å; H213-I215 VanDerWaalsContact C-N 3.34Å; H213-I215 PolarHBondContact O-N 2.85Å; H213-R217 VanDerWaalsContact O-CB 3.23Å; H213-R217 WeakPolarHBondContact O-CB 3.46Å; H213-R217 PolarHBondContact O-N 2.92Å; H213-M233 HydrophobicContact CB-CE 3.73Å |
| 214 | L | 92.3 | Very high | 90.2 | Very high | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.1 | -42.1 | 174.1 | -66.2 | 178.2 | 0 | 0 | 0 | 111.5 | F136 V191 L194 V210 A211 M212 R218 P226 L229 M233 | F136-L214 HydrophobicContact CE1-CD2 4.3Å; V191-L214 HydrophobicContact CG1-CB 4.27Å; V191-L214 HydrophobicContact CG1-CD1 4.44Å; V191-L214 HydrophobicContact CG2-CB 4.2Å; L194-L214 HydrophobicContact CB-CD1 3.98Å; L194-L214 HydrophobicContact CD1-CD1 4.14Å; V210-L214 HydrophobicContact CG1-CD1 4.39Å; V210-L214 WeakPolarHBondContact O-CG 3.38Å; V210-L214 PolarHBondContact O-N 2.97Å; A211-L214 PolarHBondContact O-N 3.11Å; M212-L214 PolarHBondContact O-N 3.48Å; L214-R218 VanDerWaalsContact O-CB 3.3Å; L214-R218 WeakPolarHBondContact O-CB 3.3Å; L214-R218 PolarHBondContact O-N 3.42Å; L214-P226 HydrophobicContact CD2-CG 4Å; L214-L229 HydrophobicContact CD1-CD1 4.21Å; L214-M233 HydrophobicContact CD2-SD 4.14Å |
| 215 | I | 93.4 | Very high | 90.1 | Very high | 6 Ų | 6 | 40.1 Ų | 40.1 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.4 | -51.9 | 177.2 | -68.7 | 169.1 | 0 | 0 | 0 | 111 | F178 L183 L188 V191 A211 M212 H213 R217 R218 V219 | F178-I215 HydrophobicContact CB-CD1 4.39Å; F178-I215 HydrophobicContact CD1-CD1 3.28Å; F178-I215 HydrophobicContact CE1-CD1 3.73Å; F178-I215 HydrophobicContact CG-CD1 4.09Å; L183-I215 HydrophobicContact CD1-CB 4.23Å; L183-I215 HydrophobicContact CD1-CG1 4.01Å; L183-I215 HydrophobicContact CD1-CG2 4Å; L188-I215 HydrophobicContact CD2-CD1 4.12Å; L188-I215 HydrophobicContact CD2-CG1 4.37Å; V191-I215 HydrophobicContact CG1-CD1 4.19Å; V191-I215 HydrophobicContact CG1-CG1 4.03Å; V191-I215 HydrophobicContact CG2-CG1 4.24Å; A211-I215 VanDerWaalsContact O-CG1 3.31Å; A211-I215 WeakPolarHBondContact O-CG1 3.36Å; A211-I215 PolarHBondContact O-N 2.83Å; A211-I215 VanDerWaalsContact O-N 3.1Å; M212-I215 PolarHBondContact O-N 3.14Å; H213-I215 VanDerWaalsContact C-N 3.34Å; H213-I215 PolarHBondContact O-N 2.85Å; I215-R217 VanDerWaalsContact C-N 3.3Å; I215-R217 PolarHBondContact O-N 3.18Å; I215-R218 PolarHBondContact O-N 3.31Å; I215-R218 VanDerWaalsContact O-N 3.16Å; I215-V219 HydrophobicContact CG2-CG2 4.27Å; I215-V219 WeakPolarHBondContact O-CG2 3.24Å; I215-V219 PolarHBondContact O-N 2.82Å |
| 216 | V | 91.4 | Very high | 89.8 | Confident | 27 Ų | 27 | 40.5 Ų | 40.5 | 16% | 0.164 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.9 | -41.8 | 179.6 | 169.9 | 0 | 0 | 0 | 0 | 110.9 | L118 Y146 M212 V219 K220 | L118-V216 HydrophobicContact CD1-CG1 3.95Å; Y146-V216 HydrophobicContact CE1-CG2 4.08Å; M212-V216 HydrophobicContact CG-CG2 4.25Å; M212-V216 WeakPolarHBondContact O-CB 3.48Å; M212-V216 WeakPolarHBondContact O-CG2 3.46Å; M212-V216 PolarHBondContact O-N 3.06Å; M212-V216 HydrophobicContact SD-CG2 4.2Å; V216-V219 PolarHBondContact O-N 3.42Å; V216-K220 VanDerWaalsContact O-CB 3.26Å; V216-K220 WeakPolarHBondContact O-CB 3.49Å; V216-K220 PolarHBondContact O-N 3.34Å |
| 217 | R | 89.4 | Confident | 89.5 | Confident | 30 Ų | 30 | 42.9 Ų | 42.9 | 11% | 0.113 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.4 | -37.6 | 177.3 | -172.2 | 169.4 | 172.2 | -179.3 | -11.4 | 112.3 | S135 F136 H213 I215 G221 H222 F223 | S135-R217 VanDerWaalsContact CB-NH1 3.3Å; S135-R217 PolarHBondContact O-NH1 3.3Å; S135-R217 PolarHBondContact OG-NE 2.86Å; S135-R217 PolarHBondContact OG-NH1 3.06Å; S135-R217 PolarHBondContact OG-NH2 2.68Å; F136-R217 VanDerWaalsContact CE2-NH1 3.29Å; F136-R217 VanDerWaalsContact CG-NH1 3.28Å; H213-R217 VanDerWaalsContact O-CB 3.23Å; H213-R217 WeakPolarHBondContact O-CB 3.46Å; H213-R217 PolarHBondContact O-N 2.92Å; I215-R217 VanDerWaalsContact C-N 3.3Å; I215-R217 PolarHBondContact O-N 3.18Å; R217-G221 WeakPolarHBondContact O-CA 3.34Å; R217-G221 PolarHBondContact O-N 3.02Å; R217-G221 VanDerWaalsContact O-N 3.09Å; R217-H222 PolarHBondContact O-N 3.35Å; R217-F223 HydrophobicContact CG-CB 4.04Å; R217-F223 HydrophobicContact CG-CD2 3.52Å; R217-F223 HydrophobicContact CG-CE2 4.33Å; R217-F223 HydrophobicContact CG-CG 4.06Å |
| 218 | R | 89.6 | Confident | 89.1 | Confident | 66 Ų | 66 | 46.7 Ų | 46.7 | 25% | 0.249 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.6 | -40.7 | 174.8 | -179.4 | 60.4 | 177.4 | 143.4 | 0.6 | 112.8 | L183 E187 L214 I215 H222 F223 I225 | L183-R218 HydrophobicContact CD1-CB 4.1Å; L183-R218 HydrophobicContact CD1-CG 3.88Å; L183-R218 HydrophobicContact CD2-CB 4.33Å; L183-R218 HydrophobicContact CD2-CG 3.52Å; L183-R218 HydrophobicContact CG-CG 4.38Å; E187-R218 IonicContact OE1-CZ 2.67Å; E187-R218 IonicContact OE1-NE 3.29Å; E187-R218 PolarHBondContact OE1-NE 3.11Å; E187-R218 IonicContact OE1-NH2 3.6Å; E187-R218 PolarHBondContact OE1-NH2 2.97Å; E187-R218 WeakPolarHBondContact OE2-CG 3.46Å; E187-R218 IonicContact OE2-CZ 2.75Å; E187-R218 IonicContact OE2-NE 2.89Å; E187-R218 PolarHBondContact OE2-NE 3.32Å; E187-R218 IonicContact OE2-NH2 3.94Å; L214-R218 VanDerWaalsContact O-CB 3.3Å; L214-R218 WeakPolarHBondContact O-CB 3.3Å; L214-R218 PolarHBondContact O-N 3.42Å; I215-R218 PolarHBondContact O-N 3.31Å; I215-R218 VanDerWaalsContact O-N 3.16Å; R218-H222 PolarHBondContact NH1-O 3.43Å; R218-H222 VanDerWaalsContact O-CA 3.24Å; R218-H222 WeakPolarHBondContact O-CA 3.26Å; R218-H222 PolarHBondContact O-N 3.43Å; R218-F223 WeakPolarHBondContact CD-O 3.44Å; R218-I225 HydrophobicContact CB-CG1 4.27Å; R218-I225 HydrophobicContact CG-CD1 4.25Å; R218-I225 HydrophobicContact CG-CG1 4.17Å |
| 219 | V | 90.4 | Very high | 88.6 | Confident | 49 Ų | 49 | 48 Ų | 48 | 30% | 0.297 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -76.5 | -50.4 | -179 | 174.5 | 0 | 0 | 0 | 0 | 111.8 | S181 L183 I215 V216 | S181-V219 WeakPolarHBondContact O-CG2 3.31Å; L183-V219 HydrophobicContact CD1-CG2 4.34Å; L183-V219 HydrophobicContact CD2-CG2 3.72Å; L183-V219 HydrophobicContact CG-CG2 3.95Å; I215-V219 HydrophobicContact CG2-CG2 4.27Å; I215-V219 WeakPolarHBondContact O-CG2 3.24Å; I215-V219 PolarHBondContact O-N 2.82Å; V216-V219 PolarHBondContact O-N 3.42Å |
| 220 | K | 86.3 | Confident | 87.9 | Confident | 129 Ų | 129 | 49.1 Ų | 49.1 | 56% | 0.561 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -81.6 | -36.7 | -173.6 | -176.5 | 176 | 175.1 | -179 | 0 | 113.7 | L118 V216 | L118-K220 HydrophobicContact CD1-CD 4.47Å; V216-K220 VanDerWaalsContact O-CB 3.26Å; V216-K220 WeakPolarHBondContact O-CB 3.49Å; V216-K220 PolarHBondContact O-N 3.34Å |
| 221 | G | 78 | Confident | 86.9 | Confident | 34 Ų | 34 | 53.3 Ų | 53.3 | 35% | 0.351 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -107.7 | -0.5 | -176 | 0 | 0 | 0 | 0 | 0 | 114.6 | R217 F223 | R217-G221 WeakPolarHBondContact O-CA 3.34Å; R217-G221 PolarHBondContact O-N 3.02Å; R217-G221 VanDerWaalsContact O-N 3.09Å; G221-F223 WeakPolarHBondContact O-CD2 3.38Å; G221-F223 PolarHBondContact O-N 2.89Å |
| 222 | H | 84 | Confident | 85.8 | Confident | 145 Ų | 145 | 56.3 Ų | 56.3 | 67% | 0.671 | 33% | 0.332 | S | S | * | . | trans | 54.2 | 7.7 | -174.8 | -60.4 | -52.4 | 0 | 0 | 0 | 116.3 | R217 R218 | R217-H222 PolarHBondContact O-N 3.35Å; R218-H222 PolarHBondContact NH1-O 3.43Å; R218-H222 VanDerWaalsContact O-CA 3.24Å; R218-H222 WeakPolarHBondContact O-CA 3.26Å; R218-H222 PolarHBondContact O-N 3.43Å | ||
| 223 | F | 85.4 | Confident | 84.9 | Confident | 88 Ų | 88 | 56.3 Ų | 56.3 | 39% | 0.386 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 142 | 178.8 | -67.1 | -79.4 | 0 | 0 | 0 | 111.5 | R217 R218 G221 | R217-F223 HydrophobicContact CG-CB 4.04Å; R217-F223 HydrophobicContact CG-CD2 3.52Å; R217-F223 HydrophobicContact CG-CE2 4.33Å; R217-F223 HydrophobicContact CG-CG 4.06Å; R218-F223 WeakPolarHBondContact CD-O 3.44Å; G221-F223 WeakPolarHBondContact O-CD2 3.38Å; G221-F223 PolarHBondContact O-N 2.89Å |
| 224 | P | 87.6 | Confident | 84.2 | Confident | 108 Ų | 108 | 59.2 Ų | 59.2 | 70% | 0.701 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 142.5 | 172.9 | 28.3 | -34.3 | 0 | 0 | 0 | 110.5 | ||
| 225 | I | 88.3 | Confident | 83.2 | Confident | 30 Ų | 30 | 59.6 Ų | 59.6 | 15% | 0.154 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 125.8 | 170.2 | -65 | 156.5 | 0 | 0 | 0 | 107.6 | E187 K190 V191 L194 R218 | E187-I225 HydrophobicContact CB-CD1 3.59Å; E187-I225 HydrophobicContact CG-CD1 3.92Å; K190-I225 HydrophobicContact CB-CG2 4.43Å; V191-I225 HydrophobicContact CG2-CD1 3.81Å; V191-I225 HydrophobicContact CG2-CG1 4.2Å; V191-I225 HydrophobicContact CG2-CG2 4.31Å; L194-I225 HydrophobicContact CD1-CG2 3.51Å; R218-I225 HydrophobicContact CB-CG1 4.27Å; R218-I225 HydrophobicContact CG-CD1 4.25Å; R218-I225 HydrophobicContact CG-CG1 4.17Å |
| 226 | P | 86.9 | Confident | 81.8 | Confident | 32 Ų | 32 | 63.4 Ų | 63.4 | 21% | 0.208 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 148.8 | -176.6 | 29 | -35.9 | 0 | 0 | 0 | 111.1 | F136 L194 L214 S228 | F136-P226 HydrophobicContact CE1-CG 4.43Å; F136-P226 HydrophobicContact CZ-CG 4.34Å; L194-P226 WeakPolarHBondContact CD1-O 3.45Å; L214-P226 HydrophobicContact CD2-CG 4Å; P226-S228 VanDerWaalsContact C-N 3.31Å; P226-S228 PolarHBondContact O-N 3.14Å |
| 227 | S | 84.5 | Confident | 80.4 | Confident | 123 Ų | 123 | 70.9 Ų | 70.9 | 86% | 0.86 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -74 | -21.4 | 179 | 49.2 | 0 | 0 | 0 | 0 | 113.8 | ||
| 228 | S | 84.6 | Confident | 79.1 | Confident | 84 Ų | 84 | 71.9 Ų | 71.9 | 59% | 0.587 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -138.2 | 143.9 | 173.5 | 57.4 | 0 | 0 | 0 | 0 | 109.7 | P226 | P226-S228 VanDerWaalsContact C-N 3.31Å; P226-S228 PolarHBondContact O-N 3.14Å |
| 229 | L | 83.2 | Confident | 77.7 | Confident | 28 Ų | 28 | 74 Ų | 74 | 15% | 0.147 | 44% | 0.442 | C | S | . | . | trans | -66.4 | 128 | 180 | -165.4 | 73.1 | 0 | 0 | 0 | 110.3 | L194 V197 V210 L214 M233 V234 | L194-L229 HydrophobicContact CB-CD1 4.45Å; V197-L229 HydrophobicContact CG2-CD2 3.97Å; V210-L229 HydrophobicContact CG1-CD1 3.51Å; V210-L229 HydrophobicContact CG1-CD2 4.05Å; V210-L229 HydrophobicContact CG1-CG 4.44Å; L214-L229 HydrophobicContact CD1-CD1 4.21Å; L229-M233 HydrophobicContact CD1-CB 3.98Å; L229-M233 HydrophobicContact CD1-SD 4.18Å; L229-M233 HydrophobicContact CD2-CB 4.19Å; L229-M233 HydrophobicContact CG-CB 3.93Å; L229-V234 HydrophobicContact CD2-CB 4.48Å; L229-V234 HydrophobicContact CD2-CG2 4.08Å | ||
| 230 | P | 78.2 | Confident | 76.3 | Confident | 26 Ų | 26 | 75.8 Ų | 75.8 | 17% | 0.169 | 46% | 0.455 | C | S | . | . | trans | -60.1 | 144.7 | 175.5 | -20.7 | 31 | 0 | 0 | 0 | 111.6 | F136 S232 M233 V234 | F136-P230 HydrophobicContact CD1-CG 3.95Å; F136-P230 HydrophobicContact CD2-CB 3.96Å; F136-P230 HydrophobicContact CD2-CG 3.52Å; F136-P230 HydrophobicContact CE1-CG 3.78Å; F136-P230 HydrophobicContact CE2-CB 4.2Å; F136-P230 HydrophobicContact CE2-CG 3.38Å; F136-P230 HydrophobicContact CG-CB 4.3Å; F136-P230 HydrophobicContact CG-CG 3.82Å; F136-P230 HydrophobicContact CZ-CG 3.5Å; F136-P230 VanDerWaalsContact CZ-CG 3.5Å; P230-S232 PolarHBondContact O-N 2.91Å; P230-S232 VanDerWaalsContact O-N 3.14Å; P230-M233 PolarHBondContact O-N 3.44Å; P230-V234 PolarHBondContact O-N 3.4Å | ||
| 231 | A | 72.2 | Confident | 75.1 | Confident | 94 Ų | 94 | 73.4 Ų | 73.4 | 78% | 0.777 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -58.1 | -31.5 | -177 | 0 | 0 | 0 | 0 | 0 | 113.4 | M233 V234 | A231-M233 VanDerWaalsContact C-N 3.29Å; A231-M233 PolarHBondContact O-N 2.83Å; A231-V234 PolarHBondContact O-N 3.26Å |
| 232 | S | 69.6 | Low | 73.7 | Confident | 64 Ų | 64 | 79.3 Ų | 79.3 | 45% | 0.448 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -68.3 | -20.4 | 175.4 | 44 | 0 | 0 | 0 | 0 | 114.6 | D133 P230 | D133-S232 WeakPolarHBondContact OD1-CB 3.29Å; D133-S232 PolarHBondContact OD1-OG 3.17Å; P230-S232 PolarHBondContact O-N 2.91Å; P230-S232 VanDerWaalsContact O-N 3.14Å |
| 233 | M | 76 | Confident | 72.3 | Confident | 11 Ų | 11 | 76.1 Ų | 76.1 | 5% | 0.054 | 46% | 0.456 | C | S | . | . | G | 310 helix | trans | -98 | -11.2 | 176.8 | -68.3 | -158.9 | 79.8 | 0 | 0 | 114.3 | F136 I138 V210 H213 L214 L229 P230 A231 P235 | F136-M233 HydrophobicContact CB-CG 3.68Å; F136-M233 HydrophobicContact CB-SD 4.1Å; F136-M233 HydrophobicContact CD1-CG 3.98Å; F136-M233 HydrophobicContact CD1-SD 3.28Å; F136-M233 WeakPolarHBondContact CD1-SD 3.46Å; F136-M233 HydrophobicContact CE1-SD 3.98Å; F136-M233 HydrophobicContact CG-CG 4.08Å; F136-M233 HydrophobicContact CG-SD 4Å; I138-M233 HydrophobicContact CD1-CE 4.39Å; V210-M233 HydrophobicContact CB-CE 4.22Å; V210-M233 HydrophobicContact CG1-CE 3.95Å; V210-M233 HydrophobicContact CG2-CE 4.17Å; V210-M233 WeakPolarHBondContact CG2-O 3.38Å; H213-M233 HydrophobicContact CB-CE 3.73Å; L214-M233 HydrophobicContact CD2-SD 4.14Å; L229-M233 HydrophobicContact CD1-CB 3.98Å; L229-M233 HydrophobicContact CD1-SD 4.18Å; L229-M233 HydrophobicContact CD2-CB 4.19Å; L229-M233 HydrophobicContact CG-CB 3.93Å; P230-M233 PolarHBondContact O-N 3.44Å; A231-M233 VanDerWaalsContact C-N 3.29Å; A231-M233 PolarHBondContact O-N 2.83Å; M233-P235 WeakPolarHBondContact O-CD 3.36Å |
| 234 | V | 76.2 | Confident | 70.2 | Confident | 64 Ų | 64 | 77.6 Ų | 77.6 | 39% | 0.388 | 47% | 0.472 | S | S | . | . | trans | -63.9 | 113.1 | -174 | -178.9 | 0 | 0 | 0 | 0 | 108.9 | V197 L229 P230 A231 | V197-V234 HydrophobicContact CG1-CG1 4.23Å; L229-V234 HydrophobicContact CD2-CB 4.48Å; L229-V234 HydrophobicContact CD2-CG2 4.08Å; P230-V234 PolarHBondContact O-N 3.4Å; A231-V234 PolarHBondContact O-N 3.26Å | ||
| 235 | P | 71.1 | Confident | 68.1 | Low | 14 Ų | 14 | 78.2 Ų | 78.2 | 9% | 0.091 | 48% | 0.477 | C | S | . | . | trans | -66.4 | 152.4 | 179.3 | 28.9 | -30.6 | 0 | 0 | 0 | 108.9 | V197 D206 E207 V210 M233 R237 | V197-P235 HydrophobicContact CB-CG 4.46Å; V197-P235 HydrophobicContact CG2-CG 4.24Å; D206-P235 HydrophobicContact CB-CB 3.67Å; E207-P235 HydrophobicContact CG-CB 4.29Å; E207-P235 HydrophobicContact CG-CG 3.65Å; V210-P235 HydrophobicContact CG2-CG 4.46Å; M233-P235 WeakPolarHBondContact O-CD 3.36Å; P235-R237 PolarHBondContact O-N 2.77Å | ||
| 236 | A | 65.1 | Low | 65.8 | Low | 85 Ų | 85 | 84.5 Ų | 84.5 | 70% | 0.702 | 51% | 0.51 | S | S | * | . | trans | -58.2 | 114.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | T238 | A236-T238 PolarHBondContact O-N 3.06Š| ||
| 237 | R | 61.4 | Low | 63.6 | Low | 184 Ų | 184 | 86.4 Ų | 86.4 | 69% | 0.694 | 53% | 0.528 | S | S | * | . | trans | -56.5 | 101.6 | -175.1 | -72.2 | -179.5 | 177.7 | -92.4 | -1.2 | 110 | V197 P235 | V197-R237 HydrophobicContact CG1-CG 4.23Å; V197-R237 PolarHBondContact O-NH1 2.86Å; P235-R237 PolarHBondContact O-N 2.77Å | ||
| 238 | T | 61.9 | Low | 61.5 | Low | 51 Ų | 51 | 90.5 Ų | 90.5 | 31% | 0.313 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -63 | 142.4 | 165.6 | 48.5 | 0 | 0 | 0 | 0 | 107.9 | N204 A236 | N204-T238 PolarHBondContact ND2-OG1 3.25Å; A236-T238 PolarHBondContact O-N 3.06Å |
| 239 | P | 60.2 | Low | 59.4 | Low | 110 Ų | 110 | 92.3 Ų | 92.3 | 71% | 0.714 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 132.4 | 172.9 | 25.6 | -32.6 | 0 | 0 | 0 | 108 | R241 | P239-R241 PolarHBondContact O-N 3.32Š|
| 240 | P | 61.3 | Low | 57.2 | Low | 88 Ų | 88 | 96.9 Ų | 96.9 | 57% | 0.571 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 131.4 | -177 | 23.6 | -34 | 0 | 0 | 0 | 108.6 | D200 N242 | D200-P240 HydrophobicContact CB-CB 4.47Å; P240-N242 PolarHBondContact O-N 3.19Å |
| 241 | R | 61.1 | Low | 55.1 | Low | 79 Ų | 79 | 101 Ų | 101 | 30% | 0.298 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -57.7 | 129.8 | 179.6 | -81.5 | 167.2 | -70.4 | -149.3 | -41.6 | 108.3 | D200 Y202 P239 V243 | D200-R241 IonicContact OD1-CZ 3.59Å; D200-R241 IonicContact OD1-NE 3.48Å; D200-R241 IonicContact OD1-NH2 2.73Å; D200-R241 PolarHBondContact OD1-NH2 3.45Å; D200-R241 VanDerWaalsContact OD1-NH2 3.12Å; D200-R241 IonicContact OD2-CZ 3.63Å; D200-R241 PolarHBondContact OD2-N 3.31Å; D200-R241 IonicContact OD2-NE 2.78Å; D200-R241 PolarHBondContact OD2-NE 3.02Å; D200-R241 IonicContact OD2-NH2 3.12Å; D200-R241 PolarHBondContact OD2-NH2 3.32Å; Y202-R241 VanDerWaalsContact CB-CZ 3.44Å; Y202-R241 VanDerWaalsContact CB-NH1 3.32Å; P239-R241 PolarHBondContact O-N 3.32Å; R241-V243 PolarHBondContact O-N 3.31Å |
| 242 | N | 49.1 | Very low | 53.9 | Low | 157 Ų | 157 | 101.5 Ų | 101.5 | 84% | 0.84 | 57% | 0.568 | S | S | * | * | trans | -75.7 | 58.8 | 179.2 | -166.4 | 11.3 | 0 | 0 | 0 | 110.8 | P240 | P240-N242 PolarHBondContact O-N 3.19Š| ||
| 243 | V | 54.2 | Low | 52.6 | Low | 78 Ų | 78 | 104.2 Ų | 104.2 | 47% | 0.473 | 57% | 0.573 | S | S | . | * | trans | -73.5 | 126.1 | 153.7 | -66.6 | 0 | 0 | 0 | 0 | 106 | R241 | R241-V243 PolarHBondContact O-N 3.31Š| ||
| 244 | T | 42.5 | Very low | 51.5 | Low | 119 Ų | 119 | 106.4 Ų | 106.4 | 73% | 0.73 | 58% | 0.581 | S | S | * | * | trans | -45.9 | 130.6 | -179.9 | -48.9 | 0 | 0 | 0 | 0 | 109.8 | L246 | T244-L246 PolarHBondContact O-N 3.4Š| ||
| 245 | P | 41.5 | Very low | 50.4 | Low | 122 Ų | 122 | 105.3 Ų | 105.3 | 79% | 0.792 | 58% | 0.575 | S | S | * | * | trans | -65.9 | 88.2 | 176.5 | 26.3 | -33.6 | 0 | 0 | 0 | 109.3 | A247 | P245-A247 PolarHBondContact O-N 2.99Å; P245-A247 VanDerWaalsContact O-N 3.14Å | ||
| 246 | L | 40.5 | Very low | 48.9 | Very low | 162 Ų | 162 | 108.9 Ų | 108.9 | 85% | 0.848 | 59% | 0.59 | S | S | * | * | trans | -66 | 110 | 168.8 | 179.2 | 65.1 | 0 | 0 | 0 | 106 | T244 | T244-L246 PolarHBondContact O-N 3.4Š| ||
| 247 | A | 40.5 | Very low | 47.5 | Very low | 71 Ų | 71 | 107.8 Ų | 107.8 | 59% | 0.587 | 57% | 0.569 | S | S | * | * | trans | 18.6 | 119.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | P245 D249 | P245-A247 PolarHBondContact O-N 2.99Å; P245-A247 VanDerWaalsContact O-N 3.14Å; A247-D249 PolarHBondContact O-N 2.91Å; A247-D249 VanDerWaalsContact O-N 3.14Å | ||
| 248 | K | 41.4 | Very low | 46.4 | Very low | 209 Ų | 209 | 104.3 Ų | 104.3 | 91% | 0.909 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -50.6 | 123.2 | 156.6 | -62.5 | 177.4 | 179.3 | -176.1 | 0 | 107.8 | ||
| 249 | D | 39.1 | Very low | 45 | Very low | 122 Ų | 122 | 107.9 Ų | 107.9 | 65% | 0.652 | 59% | 0.586 | S | S | * | * | trans | 67.1 | 134.7 | -167.9 | -62.2 | -57.4 | 0 | 0 | 0 | 116 | A247 E251 | A247-D249 PolarHBondContact O-N 2.91Å; A247-D249 VanDerWaalsContact O-N 3.14Å; D249-E251 PolarHBondContact OD1-N 3.1Å | ||
| 250 | P | 38.7 | Very low | 44 | Very low | 124 Ų | 124 | 113.2 Ų | 113.2 | 81% | 0.805 | 59% | 0.594 | S | S | * | * | S | Bend | cis | -92 | 131.5 | 20.2 | 34.6 | -33.4 | 0 | 0 | 0 | 114.1 | ||
| 251 | E | 33.7 | Very low | 43 | Very low | 114 Ų | 114 | 117 Ų | 117 | 53% | 0.533 | 60% | 0.604 | S | S | . | * | trans | 17.7 | 134.8 | 148.7 | -58.9 | -173.5 | 144.7 | 0 | 0 | 119.3 | D249 H253 | D249-E251 PolarHBondContact OD1-N 3.1Å; E251-H253 PolarHBondContact O-N 2.83Å | ||
| 252 | Q | 46.8 | Very low | 41.6 | Very low | 103 Ų | 103 | 121 Ų | 121 | 48% | 0.481 | 63% | 0.631 | S | S | . | * | trans | -54.3 | 80.1 | 159.2 | -65.5 | 171.6 | -19 | 0 | 0 | 110.6 | W254 T255 H256 | Q252-W254 PolarHBondContact O-N 3.24Å; Q252-W254 VanDerWaalsContact O-N 3.07Å; Q252-T255 HydrophobicContact CB-CG2 3.82Å; Q252-T255 VanDerWaalsContact CB-OG1 3.26Å; Q252-T255 WeakPolarHBondContact CB-OG1 3.47Å; Q252-T255 WeakPolarHBondContact O-CA 3.46Å; Q252-T255 WeakPolarHBondContact O-CB 3.13Å; Q252-T255 PolarHBondContact O-N 3.35Å; Q252-T255 PolarHBondContact O-OG1 2.86Å; Q252-T255 PolarHBondContact OE1-OG1 3.43Å; Q252-H256 PolarHBondContact O-N 3.16Å | ||
| 253 | H | 42.3 | Very low | 41 | Very low | 122 Ų | 122 | 117.5 Ų | 117.5 | 57% | 0.565 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -18 | -171.7 | 59.4 | -89 | 0 | 0 | 0 | 113.6 | E251 T255 | E251-H253 PolarHBondContact O-N 2.83Å; H253-T255 PolarHBondContact O-N 3.49Å |
| 254 | W | 52.1 | Low | 40.2 | Very low | 56 Ų | 56 | 119.9 Ų | 119.9 | 21% | 0.212 | 64% | 0.639 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -76.8 | 4.8 | 169 | -54 | 75 | 0 | 0 | 0 | 113.3 | Q170 P172 F175 Q252 F257 | Q170-W254 VanDerWaalsContact C-CZ2 3.45Å; Q170-W254 HydrophobicContact CB-CZ2 4.39Å; Q170-W254 WeakPolarHBondContact O-CZ2 3.4Å; P172-W254 HydrophobicContact CB-CH2 4.06Å; F175-W254 HydrophobicContact CB-CE3 3.66Å; F175-W254 HydrophobicContact CB-CZ3 3.51Å; F175-W254 HydrophobicContact CD2-CE3 4.11Å; F175-W254 AromaticContact CG-CE3 3.97Å; F175-W254 HydrophobicContact CG-CE3 3.97Å; F175-W254 HydrophobicContact CG-CZ3 4.17Å; Q252-W254 PolarHBondContact O-N 3.24Å; Q252-W254 VanDerWaalsContact O-N 3.07Å; W254-F257 VanDerWaalsContact C-CE2 3.45Å; W254-F257 WeakPolarHBondContact O-CE2 3.35Å; W254-F257 WeakPolarHBondContact O-CZ 3.31Å |
| 255 | T | 53.5 | Low | 39.9 | Very low | 42 Ų | 42 | 122.2 Ų | 122.2 | 26% | 0.258 | 65% | 0.646 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -131.3 | -5.6 | 179.7 | 79 | 0 | 0 | 0 | 0 | 112.9 | K193 Q252 H253 | K193-T255 PolarHBondContact NZ-OG1 2.78Å; Q252-T255 HydrophobicContact CB-CG2 3.82Å; Q252-T255 VanDerWaalsContact CB-OG1 3.26Å; Q252-T255 WeakPolarHBondContact CB-OG1 3.47Å; Q252-T255 WeakPolarHBondContact O-CA 3.46Å; Q252-T255 WeakPolarHBondContact O-CB 3.13Å; Q252-T255 PolarHBondContact O-N 3.35Å; Q252-T255 PolarHBondContact O-OG1 2.86Å; Q252-T255 PolarHBondContact OE1-OG1 3.43Å; H253-T255 PolarHBondContact O-N 3.49Å |
| 256 | H | 40.9 | Very low | 39.6 | Very low | 89 Ų | 89 | 124.9 Ų | 124.9 | 41% | 0.412 | 65% | 0.652 | S | S | . | * | trans | -111.7 | 70.2 | 176.8 | -170.9 | -97.5 | 0 | 0 | 0 | 110.1 | Q252 N258 | Q252-H256 PolarHBondContact O-N 3.16Å; H256-N258 VanDerWaalsContact C-N 3.29Å; H256-N258 PolarHBondContact CE1-ND2 2.84Å; H256-N258 PolarHBondContact O-N 3.37Å; H256-N258 VanDerWaalsContact O-N 3.12Å | ||
| 257 | F | 34.5 | Very low | 39.3 | Very low | 61 Ų | 61 | 121 Ų | 121 | 27% | 0.268 | 64% | 0.644 | S | S | . | * | trans | -85.8 | 71.1 | 175.9 | -60.9 | -61.3 | 0 | 0 | 0 | 110.8 | F175 R185 W254 V259 | F175-F257 HydrophobicContact CE2-CE2 4.23Å; F175-F257 HydrophobicContact CE2-CZ 4.22Å; F175-F257 HydrophobicContact CZ-CE2 4.24Å; F175-F257 HydrophobicContact CZ-CZ 4.23Å; R185-F257 HydrophobicContact CB-CD2 4.29Å; R185-F257 HydrophobicContact CG-CB 4.22Å; R185-F257 HydrophobicContact CG-CD1 4.23Å; R185-F257 HydrophobicContact CG-CD2 3.13Å; R185-F257 HydrophobicContact CG-CE1 4.48Å; R185-F257 HydrophobicContact CG-CE2 3.37Å; R185-F257 HydrophobicContact CG-CG 3.59Å; R185-F257 HydrophobicContact CG-CZ 4.07Å; R185-F257 VanDerWaalsContact NH1-CZ 3.33Å; W254-F257 VanDerWaalsContact C-CE2 3.45Å; W254-F257 WeakPolarHBondContact O-CE2 3.35Å; W254-F257 WeakPolarHBondContact O-CZ 3.31Å; F257-V259 PolarHBondContact O-N 3.36Å | ||
| 258 | N | 38.9 | Very low | 38.8 | Very low | 111 Ų | 111 | 123.6 Ų | 123.6 | 59% | 0.594 | 65% | 0.652 | S | S | * | * | trans | -65.2 | 121.7 | 167.6 | -90 | 1.8 | 0 | 0 | 0 | 109.8 | H256 Y260 | H256-N258 VanDerWaalsContact C-N 3.29Å; H256-N258 PolarHBondContact CE1-ND2 2.84Å; H256-N258 PolarHBondContact O-N 3.37Å; H256-N258 VanDerWaalsContact O-N 3.12Å; N258-Y260 PolarHBondContact O-N 2.73Å | ||
| 259 | V | 32.7 | Very low | 38.5 | Very low | 126 Ų | 126 | 120.9 Ų | 120.9 | 76% | 0.764 | 65% | 0.648 | S | S | * | * | trans | -55 | 104.2 | 163.5 | 178.5 | 0 | 0 | 0 | 0 | 107.6 | F257 E261 | F257-V259 PolarHBondContact O-N 3.36Å; V259-E261 HydrophobicContact CG1-CG 4.03Å | ||
| 260 | Y | 37.9 | Very low | 38.3 | Very low | 223 Ų | 223 | 122.2 Ų | 122.2 | 88% | 0.875 | 66% | 0.655 | S | S | * | * | trans | -89.6 | 107.9 | 159.6 | -114.4 | -86.7 | 0 | 0 | 0 | 107.2 | N258 | N258-Y260 PolarHBondContact O-N 2.73Š| ||
| 261 | E | 40.3 | Very low | 38 | Very low | 167 Ų | 167 | 124.9 Ų | 124.9 | 78% | 0.78 | 66% | 0.657 | S | S | * | * | trans | -62.9 | 138.6 | 179.4 | -64.3 | -179.3 | 133.6 | 0 | 0 | 111.2 | V259 A263 | V259-E261 HydrophobicContact CG1-CG 4.03Å; E261-A263 PolarHBondContact O-N 3.38Å | ||
| 262 | D | 32.2 | Very low | 38.2 | Very low | 162 Ų | 162 | 128 Ų | 128 | 87% | 0.866 | 67% | 0.669 | S | S | * | * | trans | 4.5 | 104.3 | 150.3 | -169.6 | 17.9 | 0 | 0 | 0 | 117.8 | ||||
| 263 | A | 37.1 | Very low | 37.8 | Very low | 85 Ų | 85 | 129.8 Ų | 129.8 | 70% | 0.702 | 68% | 0.677 | S | S | * | * | trans | -159.8 | 116.1 | 143.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E261 | E261-A263 PolarHBondContact O-N 3.38Š| ||
| 264 | T | 36.6 | Very low | 37.2 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 79% | 0.785 | 69% | 0.689 | S | S | * | * | trans | 69.7 | 86.6 | 148.5 | -41.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 265 | L | 36.5 | Very low | 36.6 | Very low | 167 Ų | 167 | 132.5 Ų | 132.5 | 87% | 0.874 | 71% | 0.707 | S | S | * | * | -153 | 90.7 | 125 | -112.7 | 179.1 | 0 | 0 | 0 | 111.9 | A267 | L265-A267 PolarHBondContact O-N 3.31Š| |||
| 266 | L | 35.1 | Very low | 36.1 | Very low | 178 Ų | 178 | 136.1 Ų | 136.1 | 93% | 0.932 | 73% | 0.731 | S | S | * | * | trans | -79.3 | 108.1 | 164.6 | -73.1 | 171.4 | 0 | 0 | 0 | 109.4 | ||||
| 267 | A | 34.1 | Very low | 35.9 | Very low | 80 Ų | 80 | 136 Ų | 136 | 66% | 0.661 | 73% | 0.733 | S | S | * | * | trans | -158.2 | 93.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L265 | L265-A267 PolarHBondContact O-N 3.31Š| ||
| 268 | T | 31 | Very low | 36.2 | Very low | 126 Ų | 126 | 140.2 Ų | 140.2 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | trans | 4.4 | 120.4 | 146.8 | 55.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 269 | N | 35.1 | Very low | 36.2 | Very low | 153 Ų | 153 | 138.8 Ų | 138.8 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | 175.5 | 115.7 | 130.3 | -78.8 | -27.3 | 0 | 0 | 0 | 106.1 | ||||
| 270 | D | 33.6 | Very low | 36.3 | Very low | 149 Ų | 149 | 134.5 Ų | 134.5 | 80% | 0.797 | 71% | 0.714 | S | S | * | * | 70.8 | 97.1 | 67.7 | -145.3 | -111.8 | 0 | 0 | 0 | 112.2 | |||||
| 271 | E | 33.8 | Very low | 36.3 | Very low | 181 Ų | 181 | 125.3 Ų | 125.3 | 85% | 0.846 | 68% | 0.682 | S | S | * | * | trans | 43.8 | 93.4 | 151.5 | -152.6 | 158 | 102.1 | 0 | 0 | 119.7 | ||||
| 272 | F | 38 | Very low | 36.3 | Very low | 178 Ų | 178 | 120.9 Ų | 120.9 | 78% | 0.781 | 66% | 0.664 | S | S | * | * | trans | -149.4 | 103.4 | 154 | -149.1 | -101.8 | 0 | 0 | 0 | 115.4 | ||||
| 273 | Q | 38 | Very low | 36.9 | Very low | 142 Ų | 142 | 117.7 Ų | 117.7 | 66% | 0.664 | 65% | 0.654 | S | S | * | * | trans | 61.6 | 139.8 | 142.6 | -60.7 | -161.7 | -29 | 0 | 0 | 123.5 | ||||
| 274 | D | 29.9 | Very low | 37.2 | Very low | 151 Ų | 151 | 116.2 Ų | 116.2 | 81% | 0.807 | 63% | 0.634 | S | S | * | * | trans | -43.3 | 153.2 | 173.8 | -58.5 | -77.8 | 0 | 0 | 0 | 116.2 | ||||
| 275 | S | 38.6 | Very low | 37.3 | Very low | 83 Ų | 83 | 114.6 Ų | 114.6 | 58% | 0.58 | 62% | 0.618 | S | S | * | * | trans | -145.4 | 128.1 | 176.4 | -72.5 | 0 | 0 | 0 | 0 | 110.4 | L277 | S275-L277 PolarHBondContact O-N 3.35Š| ||
| 276 | P | 42.9 | Very low | 37.4 | Very low | 119 Ų | 119 | 112.3 Ų | 112.3 | 77% | 0.773 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | 49.2 | -175.6 | 33.8 | -38.3 | 0 | 0 | 0 | 112.4 | ||
| 277 | L | 36.8 | Very low | 37.5 | Very low | 87 Ų | 87 | 109.8 Ų | 109.8 | 46% | 0.455 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -114.9 | -20.4 | -176.3 | -144.2 | 71.9 | 0 | 0 | 0 | 111.9 | S275 D279 T281 | S275-L277 PolarHBondContact O-N 3.35Å; L277-D279 VanDerWaalsContact C-N 3.33Å; L277-T281 PolarHBondContact O-OG1 2.95Å |
| 278 | K | 41.2 | Very low | 37.6 | Very low | 149 Ų | 149 | 110 Ų | 110 | 65% | 0.648 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -69.4 | -32 | 176.7 | -73.7 | 175.4 | 179.1 | 169.1 | 0 | 111.8 | F280 T281 N282 | K278-F280 PolarHBondContact O-N 3.36Å; K278-T281 VanDerWaalsContact C-OG1 3.32Å; K278-T281 WeakPolarHBondContact CA-OG1 3.38Å; K278-T281 PolarHBondContact O-N 2.97Å; K278-T281 PolarHBondContact O-OG1 2.91Å; K278-N282 PolarHBondContact O-N 3.39Å; K278-N282 PolarHBondContact O-ND2 2.94Å; K278-N282 PolarHBondContact O-OD1 2.87Å |
| 279 | D | 38.2 | Very low | 37.7 | Very low | 80 Ų | 80 | 113.1 Ų | 113.1 | 43% | 0.428 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -70.3 | -37.1 | -173.5 | -41.7 | -57.7 | 0 | 0 | 0 | 111 | L277 N282 S283 | L277-D279 VanDerWaalsContact C-N 3.33Å; D279-N282 PolarHBondContact O-N 3.25Å; D279-S283 WeakPolarHBondContact O-CB 3.21Å; D279-S283 PolarHBondContact O-N 3.08Å |
| 280 | F | 35.7 | Very low | 37.7 | Very low | 36 Ų | 36 | 115.8 Ų | 115.8 | 16% | 0.158 | 61% | 0.611 | C | S | . | * | H | α-helix | trans | -65 | -38.4 | 171.7 | -176.3 | -87.6 | 0 | 0 | 0 | 112.8 | F177 K180 K278 S283 L284 | F177-F280 HydrophobicContact CD2-CE1 4.29Å; F177-F280 HydrophobicContact CD2-CE2 4.23Å; F177-F280 AromaticContact CD2-CZ 3.7Å; F177-F280 HydrophobicContact CD2-CZ 3.7Å; F177-F280 HydrophobicContact CE2-CE1 4.23Å; F177-F280 AromaticContact CE2-CE2 3.64Å; F177-F280 HydrophobicContact CE2-CE2 3.64Å; F177-F280 AromaticContact CE2-CZ 3.24Å; F177-F280 HydrophobicContact CE2-CZ 3.24Å; F177-F280 HydrophobicContact CZ-CE2 4.4Å; F177-F280 AromaticContact CZ-CZ 3.77Å; F177-F280 HydrophobicContact CZ-CZ 3.77Å; K180-F280 HydrophobicContact CB-CD1 3.84Å; K180-F280 HydrophobicContact CB-CE1 3.82Å; K180-F280 HydrophobicContact CD-CD1 3.33Å; K180-F280 HydrophobicContact CD-CE1 3.7Å; K180-F280 HydrophobicContact CD-CG 4.23Å; K180-F280 HydrophobicContact CG-CD1 4.11Å; K180-F280 HydrophobicContact CG-CE1 4.38Å; K278-F280 PolarHBondContact O-N 3.36Å; F280-S283 WeakPolarHBondContact O-CB 3.31Å; F280-S283 PolarHBondContact O-N 3.41Å; F280-L284 HydrophobicContact CD1-CD1 3.94Å; F280-L284 HydrophobicContact CE1-CD1 3.34Å; F280-L284 HydrophobicContact CE1-CG 4.4Å; F280-L284 HydrophobicContact CZ-CD1 3.9Å; F280-L284 PolarHBondContact O-N 2.74Å |
| 281 | T | 38.6 | Very low | 37.6 | Very low | 31 Ų | 31 | 114.9 Ų | 114.9 | 19% | 0.19 | 61% | 0.611 | C | S | . | * | H | α-helix | trans | -71.2 | -36.6 | 175 | 35.9 | 0 | 0 | 0 | 0 | 112.4 | K180 L277 K278 S283 L284 M285 | K180-T281 HydrophobicContact CB-CG2 3.66Å; K180-T281 HydrophobicContact CG-CG2 3.83Å; L277-T281 PolarHBondContact O-OG1 2.95Å; K278-T281 VanDerWaalsContact C-OG1 3.32Å; K278-T281 WeakPolarHBondContact CA-OG1 3.38Å; K278-T281 PolarHBondContact O-N 2.97Å; K278-T281 PolarHBondContact O-OG1 2.91Å; T281-S283 VanDerWaalsContact C-N 3.28Å; T281-S283 PolarHBondContact O-N 3.35Å; T281-L284 PolarHBondContact O-N 2.9Å; T281-M285 PolarHBondContact O-N 3.43Å; T281-M285 VanDerWaalsContact O-N 3.16Å |
| 282 | N | 39.5 | Very low | 37.8 | Very low | 74 Ų | 74 | 115.5 Ų | 115.5 | 40% | 0.396 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -62.5 | -40.7 | 172.9 | -65.9 | -19.2 | 0 | 0 | 0 | 110.2 | K278 D279 L284 M285 L286 | K278-N282 PolarHBondContact O-N 3.39Å; K278-N282 PolarHBondContact O-ND2 2.94Å; K278-N282 PolarHBondContact O-OD1 2.87Å; D279-N282 PolarHBondContact O-N 3.25Å; N282-L284 PolarHBondContact O-N 3.35Å; N282-M285 PolarHBondContact O-N 3.35Å; N282-L286 HydrophobicContact CB-CD1 4.08Å; N282-L286 PolarHBondContact O-N 2.92Å; N282-L286 WeakPolarHBondContact OD1-CD1 3.4Å |
| 283 | S | 43.7 | Very low | 37.7 | Very low | 95 Ų | 95 | 112.3 Ų | 112.3 | 66% | 0.664 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.7 | -11.4 | 173 | -174.4 | 0 | 0 | 0 | 0 | 115.1 | D279 F280 T281 | D279-S283 WeakPolarHBondContact O-CB 3.21Å; D279-S283 PolarHBondContact O-N 3.08Å; F280-S283 WeakPolarHBondContact O-CB 3.31Å; F280-S283 PolarHBondContact O-N 3.41Å; T281-S283 VanDerWaalsContact C-N 3.28Å; T281-S283 PolarHBondContact O-N 3.35Å |
| 284 | L | 44.8 | Very low | 37.7 | Very low | 54 Ų | 54 | 112.8 Ų | 112.8 | 28% | 0.283 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -107.1 | -9.1 | 175.1 | -84.4 | 169.7 | 0 | 0 | 0 | 113.7 | K180 F280 T281 N282 | K180-L284 HydrophobicContact CB-CD1 4.49Å; F280-L284 HydrophobicContact CD1-CD1 3.94Å; F280-L284 HydrophobicContact CE1-CD1 3.34Å; F280-L284 HydrophobicContact CE1-CG 4.4Å; F280-L284 HydrophobicContact CZ-CD1 3.9Å; F280-L284 PolarHBondContact O-N 2.74Å; T281-L284 PolarHBondContact O-N 2.9Å; N282-L284 PolarHBondContact O-N 3.35Å |
| 285 | M | 39.3 | Very low | 37.9 | Very low | 93 Ų | 93 | 109.5 Ų | 109.5 | 46% | 0.458 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -141.4 | -10.6 | -169.6 | -89.4 | -175.3 | 55.2 | 0 | 0 | 117.3 | Q182 T281 N282 | Q182-M285 HydrophobicContact CB-SD 4.35Å; Q182-M285 HydrophobicContact CG-SD 3.63Å; Q182-M285 PolarHBondContact NE2-SD 3.2Å; T281-M285 PolarHBondContact O-N 3.43Å; T281-M285 VanDerWaalsContact O-N 3.16Å; N282-M285 PolarHBondContact O-N 3.35Å |
| 286 | L | 36.7 | Very low | 37.6 | Very low | 120 Ų | 120 | 109.3 Ų | 109.3 | 63% | 0.628 | 60% | 0.603 | S | S | * | * | trans | -121.9 | 70.2 | -173 | -68.7 | 174.8 | 0 | 0 | 0 | 113.2 | N282 | N282-L286 HydrophobicContact CB-CD1 4.08Å; N282-L286 PolarHBondContact O-N 2.92Å; N282-L286 WeakPolarHBondContact OD1-CD1 3.4Å | ||
| 287 | T | 37.3 | Very low | 37.3 | Very low | 124 Ų | 124 | 107.4 Ų | 107.4 | 76% | 0.761 | 59% | 0.591 | S | S | * | * | trans | -130.4 | 44.9 | 156.7 | 67.8 | 0 | 0 | 0 | 0 | 111.6 | T111 | T111-T287 HydrophobicContact CG2-CG2 4.27Š| ||
| 288 | A | 36.5 | Very low | 37.1 | Very low | 85 Ų | 85 | 111 Ų | 111 | 70% | 0.702 | 61% | 0.609 | S | S | * | * | trans | -91.5 | 141 | 155.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 289 | E | 34 | Very low | 36.6 | Very low | 192 Ų | 192 | 108.7 Ų | 108.7 | 90% | 0.897 | 62% | 0.617 | S | S | * | * | S | Bend | trans | 81.5 | 118.2 | 170.4 | -46.6 | -160.1 | 125.1 | 0 | 0 | 119.5 | ||
| 290 | K | 34.9 | Very low | 36.4 | Very low | 209 Ų | 209 | 110.7 Ų | 110.7 | 91% | 0.909 | 64% | 0.636 | S | S | * | * | trans | 81.2 | 89.2 | 149.4 | -148.8 | 166 | -170.8 | 169 | 0 | 119.6 | ||||
| 291 | T | 31 | Very low | 36.2 | Very low | 130 Ų | 130 | 117.9 Ų | 117.9 | 80% | 0.798 | 67% | 0.669 | S | S | * | * | trans | -75.9 | 128.7 | 173.1 | 44.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 292 | K | 38 | Very low | 36 | Very low | 193 Ų | 193 | 122.1 Ų | 122.1 | 84% | 0.839 | 70% | 0.695 | S | S | * | * | trans | -162.2 | 121.8 | 140 | -138.4 | 170.4 | -178.9 | 173.7 | 0 | 114.1 | ||||
| 293 | T | 36.8 | Very low | 35.7 | Very low | 111 Ų | 111 | 123.7 Ų | 123.7 | 68% | 0.681 | 71% | 0.712 | S | S | * | * | trans | 68.8 | 108.5 | 150.8 | 39.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 294 | I | 37.3 | Very low | 35.4 | Very low | 153 Ų | 153 | 124.4 Ų | 124.4 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | 94.3 | 102.4 | 126.3 | -60.1 | 164.2 | 0 | 0 | 0 | 120.4 | |||||
| 295 | A | 33.9 | Very low | 34.7 | Very low | 82 Ų | 82 | 130.5 Ų | 130.5 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | 62.7 | 147.3 | 126.7 | 0 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 296 | C | 31.7 | Very low | 34.5 | Very low | 78 Ų | 78 | 133.7 Ų | 133.7 | 53% | 0.527 | 76% | 0.757 | S | S | . | * | trans | -110.4 | -161.5 | -163 | -41.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 297 | P | 36.8 | Very low | 34.2 | Very low | 80 Ų | 80 | 132.9 Ų | 132.9 | 52% | 0.519 | 76% | 0.761 | S | S | . | * | -133.9 | -173.7 | -119.6 | 34.2 | -9.3 | 0 | 0 | 0 | 114.9 | L109 | L109-P297 HydrophobicContact CD2-CB 4.09Å; L109-P297 HydrophobicContact CD2-CG 3.19Å | |||
| 298 | I | 33.5 | Very low | 33.7 | Very low | 163 Ų | 163 | 133 Ų | 133 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | trans | -137.8 | 135 | 170.8 | -63.6 | -177.9 | 0 | 0 | 0 | 111.3 | ||||
| 299 | A | 30.9 | Very low | 33.6 | Very low | 99 Ų | 99 | 133.1 Ų | 133.1 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -81 | 146.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 300 | C | 33 | Very low | 33.6 | Very low | 122 Ų | 122 | 127.4 Ų | 127.4 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | trans | -112.9 | 108.5 | 168.5 | 0.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 301 | H | 31.3 | Very low | 33.6 | Very low | 187 Ų | 187 | 125.9 Ų | 125.9 | 87% | 0.866 | 76% | 0.764 | S | S | * | * | trans | -88.5 | 115.5 | 169.2 | -175.4 | -75.5 | 0 | 0 | 0 | 108.7 | ||||
| 302 | V | 35.5 | Very low | 33.8 | Very low | 120 Ų | 120 | 125.5 Ų | 125.5 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | -132.2 | 115.6 | 173.1 | -170.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 303 | S | 32.9 | Very low | 33.6 | Very low | 108 Ų | 108 | 121 Ų | 121 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | trans | -147.2 | 146.7 | 143.3 | -86.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 304 | P | 38.3 | Very low | 33.6 | Very low | 109 Ų | 109 | 123 Ų | 123 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | trans | -111.9 | 158.9 | -145.4 | 38.6 | -29.7 | 0 | 0 | 0 | 112.7 | ||||
| 305 | E | 29.5 | Very low | 33.5 | Very low | 183 Ų | 183 | 121.7 Ų | 121.7 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | trans | -141.2 | 154.2 | 139.2 | -84.7 | -133.5 | 99.3 | 0 | 0 | 110.1 | ||||
| 306 | M | 35.6 | Very low | 33.7 | Very low | 159 Ų | 159 | 122.3 Ų | 122.3 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | trans | -103.1 | 155.6 | -165.5 | 46.7 | 70.2 | -169.6 | 0 | 0 | 112.3 | ||||
| 307 | S | 29.2 | Very low | 34 | Very low | 103 Ų | 103 | 126.3 Ų | 126.3 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | trans | 152.3 | 127 | 144 | -179.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 308 | C | 27.1 | Very low | 34.1 | Very low | 126 Ų | 126 | 128.4 Ų | 128.4 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | 167 | 147.6 | 122.4 | -88 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 309 | G | 34.3 | Very low | 34.3 | Very low | 89 Ų | 89 | 127.5 Ų | 127.5 | 92% | 0.918 | 77% | 0.772 | S | S | * | * | trans | 84.5 | 141.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 310 | G | 34 | Very low | 34.6 | Very low | 72 Ų | 72 | 126.7 Ų | 126.7 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | cis | -153.4 | -178.8 | -10.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 311 | E | 35.4 | Very low | 34.9 | Very low | 176 Ų | 176 | 127.9 Ų | 127.9 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | cis | -170.7 | 150.8 | 23.6 | 55.2 | -163.6 | 73.4 | 0 | 0 | 112 | ||||
| 312 | T | 35.8 | Very low | 35.2 | Very low | 123 Ų | 123 | 124 Ų | 124 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | trans | 53.1 | 126.6 | 153.6 | 57.6 | 0 | 0 | 0 | 0 | 125 | ||||
| 313 | S | 33.2 | Very low | 35.1 | Very low | 97 Ų | 97 | 125.3 Ų | 125.3 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | 120.1 | 113.6 | 121.2 | -89.2 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 314 | M | 36.4 | Very low | 35.4 | Very low | 154 Ų | 154 | 123.8 Ų | 123.8 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | trans | 77.2 | 119.4 | 141.8 | -53.6 | -53.6 | 170.7 | 0 | 0 | 123.3 | ||||
| 315 | T | 35.8 | Very low | 35.6 | Very low | 126 Ų | 126 | 122.7 Ų | 122.7 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | trans | 64.9 | 143.5 | 140.3 | 55.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 316 | S | 37.3 | Very low | 36.3 | Very low | 94 Ų | 94 | 124.4 Ų | 124.4 | 66% | 0.657 | 74% | 0.742 | S | S | * | * | cis | -176.9 | 148.7 | -14 | 53.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 317 | E | 38.8 | Very low | 36.6 | Very low | 163 Ų | 163 | 124.7 Ų | 124.7 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | trans | 80.4 | 141.5 | 150.6 | -27.3 | -157.5 | 130.8 | 0 | 0 | 125.1 | ||||
| 318 | N | 38.8 | Very low | 36.9 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 66% | 0.663 | 74% | 0.741 | S | S | * | * | trans | 74.2 | 105.1 | 146.9 | -55.3 | -23.8 | 0 | 0 | 0 | 119.6 | ||||
| 319 | D | 38.2 | Very low | 37.5 | Very low | 143 Ų | 143 | 132.5 Ų | 132.5 | 77% | 0.765 | 74% | 0.742 | S | S | * | * | 94.2 | 149.2 | 88.2 | -99.7 | -50 | 0 | 0 | 0 | 112.7 | |||||
| 320 | S | 36.6 | Very low | 37.6 | Very low | 82 Ų | 82 | 134.1 Ų | 134.1 | 57% | 0.573 | 73% | 0.734 | S | S | * | * | cis | -162.2 | 159.1 | 3 | -137.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 321 | L | 38.3 | Very low | 37.9 | Very low | 148 Ų | 148 | 136.6 Ų | 136.6 | 78% | 0.775 | 74% | 0.735 | S | S | * | * | trans | 59.8 | 118 | 143.6 | -66.6 | 166.5 | 0 | 0 | 0 | 124.6 | ||||
| 322 | S | 37.9 | Very low | 38 | Very low | 106 Ų | 106 | 134.1 Ų | 134.1 | 74% | 0.741 | 73% | 0.731 | S | S | * | * | 85.3 | 160.3 | 124 | 88.2 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 323 | N | 33.2 | Very low | 38 | Very low | 147 Ų | 147 | 135 Ų | 135 | 79% | 0.786 | 74% | 0.736 | S | S | * | * | cis | -156 | 147.9 | -5.4 | -145.2 | -14.1 | 0 | 0 | 0 | 113.4 | ||||
| 324 | A | 40.8 | Very low | 38.6 | Very low | 75 Ų | 75 | 134.6 Ų | 134.6 | 62% | 0.62 | 74% | 0.738 | S | S | * | * | trans | 36.7 | 156.9 | 143.3 | 0 | 0 | 0 | 0 | 0 | 126 | ||||
| 325 | S | 42.5 | Very low | 38.9 | Very low | 86 Ų | 86 | 132.7 Ų | 132.7 | 60% | 0.601 | 74% | 0.738 | S | S | * | * | trans | 78 | 153.1 | 150.9 | -66 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 326 | R | 42.8 | Very low | 38.8 | Very low | 220 Ų | 220 | 132.4 Ų | 132.4 | 83% | 0.83 | 74% | 0.74 | S | S | * | * | cis | -165.2 | 162.8 | -7.4 | -96.3 | 155.6 | -149.5 | -171.7 | 3.3 | 105.5 | ||||
| 327 | K | 42.6 | Very low | 39.1 | Very low | 164 Ų | 164 | 135.2 Ų | 135.2 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | cis | -159.7 | 155 | 3.8 | -133.5 | 175.3 | -175.8 | -177.8 | 0 | 110.8 | ||||
| 328 | R | 35.7 | Very low | 39.3 | Very low | 208 Ų | 208 | 134 Ų | 134 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | -18.8 | 148.3 | 153.9 | -40.9 | 166.4 | -158.1 | 165.1 | 1.5 | 117.7 | ||||
| 329 | H | 39 | Very low | 39.9 | Very low | 186 Ų | 186 | 135.1 Ų | 135.1 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | -160.8 | 152.2 | 105 | -113.4 | -85.9 | 0 | 0 | 0 | 113 | |||||
| 330 | T | 37.4 | Very low | 40.2 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | trans | -132.6 | -168.9 | 178.8 | -171.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 331 | V | 40.2 | Very low | 40.9 | Very low | 124 Ų | 124 | 133.2 Ų | 133.2 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | 88.7 | 131.1 | 178.8 | -178.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 332 | V | 37.1 | Very low | 41.9 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | cis | -156.4 | 161 | -9 | 119 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 333 | V | 35.4 | Very low | 42.5 | Very low | 140 Ų | 140 | 132.2 Ų | 132.2 | 85% | 0.848 | 77% | 0.772 | S | S | * | * | trans | -107.2 | 137.9 | 169.4 | 175.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 334 | A | 45.7 | Very low | 43.3 | Very low | 89 Ų | 89 | 131.5 Ų | 131.5 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | -144.7 | 151.8 | 164 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 335 | P | 43.1 | Very low | 43.6 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | trans | -118.7 | 163.2 | -154.6 | 39.3 | -26.9 | 0 | 0 | 0 | 116.9 | ||||
| 336 | C | 34 | Very low | 43.7 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | 49.2 | 126.8 | 149.8 | -61.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 337 | T | 43.9 | Very low | 44 | Very low | 152 Ų | 152 | 134.6 Ų | 134.6 | 93% | 0.933 | 80% | 0.8 | S | S | * | * | trans | -158.8 | 150.1 | 137.1 | 5.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 338 | V | 41.7 | Very low | 44.3 | Very low | 139 Ų | 139 | 131.4 Ų | 131.4 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | trans | -107.6 | 130.8 | -170.1 | 167.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 339 | V | 51.3 | Low | 45 | Very low | 146 Ų | 146 | 130.9 Ų | 130.9 | 89% | 0.885 | 80% | 0.801 | S | S | * | * | trans | -145.6 | 140.7 | 154.5 | -175.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 340 | G | 45.8 | Very low | 45.2 | Very low | 60 Ų | 60 | 128.3 Ų | 128.3 | 62% | 0.619 | 80% | 0.798 | S | S | * | * | trans | -88.6 | -177.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 341 | P | 50.3 | Low | 45.9 | Very low | 126 Ų | 126 | 130 Ų | 130 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -103.4 | 161.8 | -166.2 | 39.5 | -35.5 | 0 | 0 | 0 | 115.3 | ||||
| 342 | P | 59.3 | Low | 46.4 | Very low | 124 Ų | 124 | 128 Ų | 128 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | trans | -129.9 | 174.5 | 147.6 | 34.1 | -17.5 | 0 | 0 | 0 | 112.6 | ||||
| 343 | P | 50.7 | Low | 47.5 | Very low | 109 Ų | 109 | 128.1 Ų | 128.1 | 71% | 0.708 | 80% | 0.796 | S | S | * | * | trans | -131.4 | -167.4 | -133.8 | 43.2 | -27.9 | 0 | 0 | 0 | 117.1 | ||||
| 344 | V | 50.3 | Low | 48.4 | Very low | 131 Ų | 131 | 129.9 Ų | 129.9 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | 68.4 | 135.3 | 158.4 | -62.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 345 | S | 47 | Very low | 49.3 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | 60.8 | 86.9 | 148.5 | -68.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 346 | G | 45.2 | Very low | 50.1 | Low | 83 Ų | 83 | 129.8 Ų | 129.8 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | -129.3 | 108.2 | 159.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 347 | R | 48.8 | Very low | 51.2 | Low | 239 Ų | 239 | 133.9 Ų | 133.9 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | trans | -83.9 | 141.9 | -175.8 | -176.3 | -177.4 | 177.9 | -169.1 | 1.6 | 111.9 | ||||
| 348 | S | 48.2 | Very low | 52.5 | Low | 96 Ų | 96 | 129.1 Ų | 129.1 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | trans | 65.8 | 112.1 | 164.7 | -64.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 349 | K | 50.8 | Low | 54.1 | Low | 198 Ų | 198 | 128.3 Ų | 128.3 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | -163.7 | 122 | 108.9 | -101.9 | 147.4 | -173.5 | 171.7 | 0 | 111.9 | |||||
| 350 | V | 43.9 | Very low | 55.2 | Low | 132 Ų | 132 | 126.7 Ų | 126.7 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | trans | -71.8 | 126.2 | 167.7 | 169.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 351 | I | 51.2 | Low | 56.8 | Low | 158 Ų | 158 | 129.7 Ų | 129.7 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | -119.2 | 96.8 | 162.1 | -68.5 | 173.5 | 0 | 0 | 0 | 106 | ||||
| 352 | S | 50.7 | Low | 58 | Low | 82 Ų | 82 | 133 Ų | 133 | 57% | 0.573 | 78% | 0.778 | S | S | * | * | trans | -68.7 | 136.8 | 167.2 | -66.3 | 0 | 0 | 0 | 0 | 109 | Q354 | S352-Q354 PolarHBondContact O-N 2.95Å; S352-Q354 VanDerWaalsContact O-N 3.08Å | ||
| 353 | P | 59.9 | Low | 58.4 | Low | 127 Ų | 127 | 132.4 Ų | 132.4 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | -63.4 | 112.9 | 162.1 | 27.7 | -31.1 | 0 | 0 | 0 | 107.5 | A355 | P353-A355 PolarHBondContact O-N 3.14Š| ||
| 354 | Q | 55.3 | Low | 59.6 | Low | 176 Ų | 176 | 132.5 Ų | 132.5 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | -68.1 | 107.8 | 172.9 | -72.7 | -171.4 | 20.3 | 0 | 0 | 108.3 | S352 | S352-Q354 PolarHBondContact O-N 2.95Å; S352-Q354 VanDerWaalsContact O-N 3.08Å | ||
| 355 | A | 63.1 | Low | 60.8 | Low | 75 Ų | 75 | 132.2 Ų | 132.2 | 62% | 0.62 | 78% | 0.776 | S | S | * | * | trans | -54.4 | 137.3 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | P353 K357 | P353-A355 PolarHBondContact O-N 3.14Å; A355-K357 PolarHBondContact O-N 2.7Å | ||
| 356 | P | 61.6 | Low | 61.7 | Low | 126 Ų | 126 | 137 Ų | 137 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -61.7 | 107.2 | -179.9 | 24.3 | -32.9 | 0 | 0 | 0 | 109.6 | G358 | P356-G358 PolarHBondContact O-N 2.75Š| ||
| 357 | K | 55.5 | Low | 62.6 | Low | 207 Ų | 207 | 138 Ų | 138 | 90% | 0.9 | 77% | 0.766 | S | S | * | * | trans | -75.2 | 73.9 | 177.3 | -69.3 | -176.5 | 178.3 | -179.6 | 0 | 110.3 | A355 | A355-K357 PolarHBondContact O-N 2.7Š| ||
| 358 | G | 72.7 | Confident | 63 | Low | 52 Ų | 52 | 130.8 Ų | 130.8 | 54% | 0.536 | 76% | 0.758 | S | S | . | * | S | Bend | trans | -123.5 | 150.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | P356 | P356-G358 PolarHBondContact O-N 2.75Š|
| 359 | P | 75.3 | Confident | 63.4 | Low | 122 Ų | 122 | 131.9 Ų | 131.9 | 79% | 0.792 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 146.9 | 164.2 | 28.1 | -33.9 | 0 | 0 | 0 | 108.8 | ||
| 360 | P | 73.6 | Confident | 63.4 | Low | 113 Ų | 113 | 132.8 Ų | 132.8 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 138.7 | 176.6 | 24.1 | -33.5 | 0 | 0 | 0 | 109.4 | K362 | P360-K362 PolarHBondContact O-N 3.44Š|
| 361 | P | 78.7 | Confident | 63.8 | Low | 122 Ų | 122 | 133.4 Ų | 133.4 | 79% | 0.792 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 133.6 | 177.1 | 24.5 | -33.2 | 0 | 0 | 0 | 108.6 | ||
| 362 | K | 75.6 | Confident | 63.8 | Low | 195 Ų | 195 | 133.5 Ų | 133.5 | 85% | 0.848 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 133.3 | 175.6 | -71.4 | -178.2 | 178.6 | 178.8 | 0 | 107.9 | P360 | P360-K362 PolarHBondContact O-N 3.44Š|
| 363 | P | 69.4 | Low | 63.7 | Low | 112 Ų | 112 | 140.4 Ų | 140.4 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 143 | 176.3 | 23.9 | -33.3 | 0 | 0 | 0 | 108.9 | ||
| 364 | P | 75.5 | Confident | 63.2 | Low | 112 Ų | 112 | 139.1 Ų | 139.1 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 144 | 176.7 | 24.5 | -33.8 | 0 | 0 | 0 | 108.9 | R366 | P364-R366 PolarHBondContact O-N 2.89Š|
| 365 | P | 75 | Confident | 63.2 | Low | 124 Ų | 124 | 134.9 Ų | 134.9 | 81% | 0.805 | 76% | 0.755 | S | S | * | * | trans | -55.2 | 114.1 | 177.4 | 23.6 | -32.8 | 0 | 0 | 0 | 107.8 | P367 | P365-P367 VanDerWaalsContact O-N 3.09Š| ||
| 366 | R | 65.4 | Low | 62.6 | Low | 225 Ų | 225 | 136.6 Ų | 136.6 | 85% | 0.849 | 76% | 0.763 | S | S | * | * | trans | -52.1 | 122.8 | 176.9 | -179.1 | -177.6 | -71.9 | -136.5 | 0.9 | 105.8 | P364 A368 | P364-R366 PolarHBondContact O-N 2.89Å; R366-A368 PolarHBondContact O-N 3Å; R366-A368 VanDerWaalsContact O-N 3.1Å | ||
| 367 | P | 65.1 | Low | 62.3 | Low | 104 Ų | 104 | 137.7 Ų | 137.7 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | trans | -53.8 | 128.2 | 175.8 | 22.7 | -32.4 | 0 | 0 | 0 | 106.5 | P365 V369 | P365-P367 VanDerWaalsContact O-N 3.09Å; P367-V369 VanDerWaalsContact C-N 3.26Å; P367-V369 PolarHBondContact O-N 2.99Å | ||
| 368 | A | 57.2 | Low | 62.1 | Low | 89 Ų | 89 | 134.8 Ų | 134.8 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | trans | -61.7 | 99.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | R366 R370 | R366-A368 PolarHBondContact O-N 3Å; R366-A368 VanDerWaalsContact O-N 3.1Å; A368-R370 PolarHBondContact O-N 3.14Å | ||
| 369 | V | 55.3 | Low | 61.3 | Low | 118 Ų | 118 | 139.7 Ų | 139.7 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | trans | -68.3 | 84.4 | 171.2 | -179.3 | 0 | 0 | 0 | 0 | 104.8 | P367 H371 | P367-V369 VanDerWaalsContact C-N 3.26Å; P367-V369 PolarHBondContact O-N 2.99Å; V369-H371 VanDerWaalsContact C-N 3.29Å; V369-H371 PolarHBondContact O-N 3.17Å | ||
| 370 | R | 51.5 | Low | 60 | Low | 218 Ų | 218 | 139.6 Ų | 139.6 | 82% | 0.823 | 77% | 0.766 | S | S | * | * | trans | -58.1 | 104.5 | 164.2 | -57.3 | 179.8 | 88.9 | 173.4 | 6.9 | 103.2 | A368 I372 | A368-R370 PolarHBondContact O-N 3.14Å; R370-I372 VanDerWaalsContact O-CG1 3.32Å; R370-I372 WeakPolarHBondContact O-CG1 3.43Å; R370-I372 PolarHBondContact O-N 3.34Å | ||
| 371 | H | 52.3 | Low | 58.8 | Low | 144 Ų | 144 | 143.6 Ų | 143.6 | 67% | 0.667 | 77% | 0.772 | S | S | * | * | trans | -57.2 | 104.8 | -177.6 | -164.8 | -110.6 | 0 | 0 | 0 | 107.2 | V369 R373 | V369-H371 VanDerWaalsContact C-N 3.29Å; V369-H371 PolarHBondContact O-N 3.17Å; H371-R373 PolarHBondContact O-N 3.25Å | ||
| 372 | I | 51.9 | Low | 57.3 | Low | 161 Ų | 161 | 147.1 Ų | 147.1 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | trans | -77.8 | 78.5 | -179.2 | -54.7 | -175.4 | 0 | 0 | 0 | 106.4 | R370 S374 | R370-I372 VanDerWaalsContact O-CG1 3.32Å; R370-I372 WeakPolarHBondContact O-CG1 3.43Å; R370-I372 PolarHBondContact O-N 3.34Å; I372-S374 PolarHBondContact O-N 2.78Å | ||
| 373 | R | 47.7 | Very low | 55.8 | Low | 226 Ų | 226 | 142.6 Ų | 142.6 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | 31.6 | 74.8 | 158.3 | -65.8 | 178.1 | 166.6 | 176.9 | -6.6 | 115.3 | H371 | H371-R373 PolarHBondContact O-N 3.25Š| ||
| 374 | S | 49.3 | Very low | 54.6 | Low | 101 Ų | 101 | 145.6 Ų | 145.6 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | -66.5 | 125.3 | 131.9 | -57.2 | 0 | 0 | 0 | 0 | 106.4 | I372 | I372-S374 PolarHBondContact O-N 2.78Š| ||
| 375 | A | 55.9 | Low | 52.9 | Low | 86 Ų | 86 | 143.9 Ų | 143.9 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | trans | -88.1 | 146.2 | -156.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 376 | S | 50 | Low | 51.4 | Low | 111 Ų | 111 | 144.3 Ų | 144.3 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | 55.8 | 101.7 | 144.9 | -54.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 377 | L | 55.8 | Low | 50.2 | Low | 150 Ų | 150 | 137.1 Ų | 137.1 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | -160.3 | 90.1 | 110 | -109 | 167.7 | 0 | 0 | 0 | 111.5 | L379 | L377-L379 HydrophobicContact CD2-CD2 3.97Å; L377-L379 HydrophobicContact CD2-CG 4.02Å | |||
| 378 | D | 50.4 | Low | 49.3 | Very low | 145 Ų | 145 | 136.5 Ų | 136.5 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | trans | -77.9 | 114 | 160.1 | -100.3 | -48.7 | 0 | 0 | 0 | 108.3 | ||||
| 379 | L | 57.3 | Low | 48.7 | Very low | 156 Ų | 156 | 140.3 Ų | 140.3 | 82% | 0.817 | 80% | 0.799 | S | S | * | * | trans | -104.7 | 77.4 | 163.3 | -70.1 | -179.7 | 0 | 0 | 0 | 109.5 | L377 K381 | L377-L379 HydrophobicContact CD2-CD2 3.97Å; L377-L379 HydrophobicContact CD2-CG 4.02Å; L379-K381 PolarHBondContact O-N 3.27Å | ||
| 380 | T | 48.4 | Very low | 48.6 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | trans | -68.1 | 102.9 | 176.8 | 39 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 381 | K | 48.2 | Very low | 48.7 | Very low | 196 Ų | 196 | 137.4 Ų | 137.4 | 85% | 0.852 | 80% | 0.801 | S | S | * | * | trans | -54.1 | 139.6 | 157.4 | -120.5 | 167.5 | -177.8 | 166.5 | 0 | 109.2 | L379 | L379-K381 PolarHBondContact O-N 3.27Š| ||
| 382 | K | 46 | Very low | 49 | Very low | 196 Ų | 196 | 136.4 Ų | 136.4 | 85% | 0.852 | 81% | 0.807 | S | S | * | * | trans | 96.4 | 91.2 | 170.4 | -53.4 | 162.3 | -175.5 | 177 | 0 | 116.5 | ||||
| 383 | A | 44.1 | Very low | 48.6 | Very low | 101 Ų | 101 | 134.4 Ų | 134.4 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | -132.1 | 118.1 | 140.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 384 | L | 44.8 | Very low | 48.9 | Very low | 175 Ų | 175 | 128 Ų | 128 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | trans | -77.7 | 142.4 | 166.3 | -75 | 73.1 | 0 | 0 | 0 | 107.9 | ||||
| 385 | G | 39.5 | Very low | 49.3 | Very low | 75 Ų | 75 | 129.3 Ų | 129.3 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | 166.8 | 73.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 386 | S | 43.4 | Very low | 49.1 | Very low | 134 Ų | 134 | 129.5 Ų | 129.5 | 94% | 0.937 | 81% | 0.81 | S | S | * | * | trans | 16.7 | 123.1 | 148 | -157.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 387 | G | 40.1 | Very low | 49.4 | Very low | 74 Ų | 74 | 130.5 Ų | 130.5 | 76% | 0.763 | 81% | 0.814 | S | S | * | * | trans | 172.5 | 53.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 388 | A | 46.6 | Very low | 49.1 | Very low | 91 Ų | 91 | 134.9 Ų | 134.9 | 75% | 0.752 | 82% | 0.82 | S | S | * | * | trans | 1 | 115.5 | 157.9 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 389 | N | 44.1 | Very low | 49 | Very low | 169 Ų | 169 | 136.2 Ų | 136.2 | 90% | 0.904 | 83% | 0.827 | S | S | * | * | -165.8 | 142.3 | 120.8 | -97.1 | -51.1 | 0 | 0 | 0 | 110.8 | |||||
| 390 | L | 52.7 | Low | 48.9 | Very low | 163 Ų | 163 | 134.7 Ų | 134.7 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | trans | -131.4 | 173.5 | -172.8 | -79.7 | 168.2 | 0 | 0 | 0 | 109.5 | ||||
| 391 | P | 55 | Low | 48.6 | Very low | 111 Ų | 111 | 139.1 Ų | 139.1 | 72% | 0.721 | 84% | 0.835 | S | S | * | * | cis | -116.8 | -104.8 | -37.5 | 29.6 | -8.6 | 0 | 0 | 0 | 107.8 | ||||
| 392 | P | 58.2 | Low | 48.2 | Very low | 124 Ų | 124 | 134.6 Ų | 134.6 | 81% | 0.805 | 83% | 0.834 | S | S | * | * | cis | -90.2 | -137.3 | -18.4 | 35 | -22.2 | 0 | 0 | 0 | 111.5 | ||||
| 393 | S | 42.7 | Very low | 47.9 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 83% | 0.832 | 83% | 0.83 | S | S | * | * | trans | -155.8 | 152.8 | 179.8 | 173.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 394 | A | 53.7 | Low | 47.5 | Very low | 90 Ų | 90 | 129.7 Ų | 129.7 | 74% | 0.744 | 83% | 0.83 | S | S | * | * | trans | -135.2 | 143.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 395 | P | 59.6 | Low | 47.2 | Very low | 130 Ų | 130 | 130 Ų | 130 | 84% | 0.844 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 160.5 | -166.2 | 36 | -36.7 | 0 | 0 | 0 | 115.2 | ||
| 396 | A | 51.3 | Low | 46.9 | Very low | 90 Ų | 90 | 131.3 Ų | 131.3 | 74% | 0.744 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 155.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 397 | P | 56.7 | Low | 46.5 | Very low | 132 Ų | 132 | 129.1 Ų | 129.1 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 152.1 | 175 | -8.3 | 26.1 | 0 | 0 | 0 | 113.1 | ||
| 398 | R | 48.3 | Very low | 46.6 | Very low | 242 Ų | 242 | 134.6 Ų | 134.6 | 91% | 0.913 | 82% | 0.816 | S | S | * | * | trans | -104.5 | 140 | 176.5 | -69 | 174.5 | 171.5 | -109.9 | 0.7 | 111.6 | ||||
| 399 | L | 48.4 | Very low | 46 | Very low | 173 Ų | 173 | 137.9 Ų | 137.9 | 91% | 0.906 | 82% | 0.821 | S | S | * | * | trans | -74.7 | 141.4 | 167.2 | -77.1 | 163.8 | 0 | 0 | 0 | 111.5 | ||||
| 400 | P | 55.7 | Low | 45.5 | Very low | 123 Ų | 123 | 140 Ų | 140 | 80% | 0.799 | 82% | 0.823 | S | S | * | * | trans | -87 | 148.6 | 169.2 | 34.2 | -32.1 | 0 | 0 | 0 | 112.2 | ||||
| 401 | K | 40.9 | Very low | 44.7 | Very low | 214 Ų | 214 | 141.7 Ų | 141.7 | 93% | 0.93 | 82% | 0.818 | S | S | * | * | trans | -130.4 | 111.4 | 175.7 | 178 | 172.3 | -178.3 | 170.1 | 0 | 110.1 | ||||
| 402 | A | 41.6 | Very low | 43.6 | Very low | 100 Ų | 100 | 143.5 Ų | 143.5 | 83% | 0.826 | 82% | 0.817 | S | S | * | * | trans | -169.3 | 150.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 403 | A | 38.7 | Very low | 42.5 | Very low | 94 Ų | 94 | 142 Ų | 142 | 78% | 0.777 | 82% | 0.815 | S | S | * | * | cis | -155.9 | 156.2 | -19.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 404 | A | 35.1 | Very low | 42.1 | Very low | 101 Ų | 101 | 141.4 Ų | 141.4 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | -74.9 | 132.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 405 | L | 39.2 | Very low | 41.4 | Very low | 181 Ų | 181 | 143.2 Ų | 143.2 | 95% | 0.948 | 81% | 0.812 | S | S | * | * | trans | -134.9 | 136.7 | 158.4 | -86 | 175 | 0 | 0 | 0 | 110 | ||||
| 406 | S | 33.6 | Very low | 40.2 | Very low | 103 Ų | 103 | 144.9 Ų | 144.9 | 72% | 0.72 | 81% | 0.809 | S | S | * | * | trans | -107.3 | 163.4 | -176.3 | 168.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 407 | S | 34.5 | Very low | 39.6 | Very low | 87 Ų | 87 | 146.1 Ų | 146.1 | 61% | 0.608 | 81% | 0.807 | S | S | * | * | trans | 94.1 | 128.9 | 149.2 | -67.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 408 | K | 42.2 | Very low | 38.7 | Very low | 189 Ų | 189 | 146.9 Ų | 146.9 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | 90.6 | 99.1 | 143.5 | -67.2 | 152.4 | -170.8 | 177.9 | 0 | 119.2 | ||||
| 409 | N | 33.1 | Very low | 38.1 | Very low | 160 Ų | 160 | 143.6 Ų | 143.6 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | 12.8 | 123.5 | 128.8 | -55.5 | -4.3 | 0 | 0 | 0 | 117.6 | |||||
| 410 | F | 34.9 | Very low | 37.5 | Very low | 215 Ų | 215 | 144.1 Ų | 144.1 | 94% | 0.943 | 80% | 0.801 | S | S | * | * | trans | -136.7 | 155 | 136 | -150.4 | -99.1 | 0 | 0 | 0 | 110.1 | ||||
| 411 | R | 35.7 | Very low | 36.8 | Very low | 198 Ų | 198 | 146.4 Ų | 146.4 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | trans | -119 | 162.9 | -164.9 | -159.4 | -177.3 | -169.5 | -133.4 | 15.1 | 109.9 | ||||
| 412 | E | 31.5 | Very low | 36.6 | Very low | 148 Ų | 148 | 143.8 Ų | 143.8 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | trans | 96.1 | 128.1 | 142.3 | -140.6 | 143.4 | 134.1 | 0 | 0 | 120.2 | ||||
| 413 | A | 34.3 | Very low | 36.4 | Very low | 94 Ų | 94 | 147 Ų | 147 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | trans | 69.6 | 146.8 | 158.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 414 | S | 35.7 | Very low | 36.3 | Very low | 106 Ų | 106 | 146.9 Ų | 146.9 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | cis | -165 | 169 | 12.3 | -158 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 415 | V | 38.2 | Very low | 36.4 | Very low | 127 Ų | 127 | 151.2 Ų | 151.2 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | trans | 68.1 | 108 | 163.4 | -165.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 416 | Q | 34 | Very low | 36.3 | Very low | 166 Ų | 166 | 152.1 Ų | 152.1 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | cis | 81.6 | 102.7 | 49.5 | -169.9 | 80.5 | 15.2 | 0 | 0 | 114.6 | ||||
| 417 | T | 40 | Very low | 36.1 | Very low | 116 Ų | 116 | 152.8 Ų | 152.8 | 71% | 0.712 | 80% | 0.796 | S | S | * | * | -172.3 | 164.9 | 128.5 | 34.7 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 418 | D | 37.4 | Very low | 36.2 | Very low | 147 Ų | 147 | 153.1 Ų | 153.1 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | trans | 75.6 | 66.2 | 166.4 | -50 | -40.4 | 0 | 0 | 0 | 118.3 | ||||
| 419 | I | 35.4 | Very low | 36 | Very low | 174 Ų | 174 | 152.2 Ų | 152.2 | 89% | 0.892 | 81% | 0.807 | S | S | * | * | trans | -109.8 | 80.1 | 155.3 | -57.7 | 175.7 | 0 | 0 | 0 | 108.2 | ||||
| 420 | E | 35.4 | Very low | 36 | Very low | 184 Ų | 184 | 149.7 Ų | 149.7 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -157.7 | 102 | 171.6 | -148.1 | 169.4 | 154.4 | 0 | 0 | 109.9 | ||||
| 421 | L | 40.4 | Very low | 35.8 | Very low | 170 Ų | 170 | 149.1 Ų | 149.1 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 159.5 | 13.7 | 159.9 | -89.4 | 166.6 | 0 | 0 | 0 | 116.2 | ||
| 422 | Q | 38.6 | Very low | 35.6 | Very low | 160 Ų | 160 | 144.4 Ų | 144.4 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -108.2 | -5.4 | 176 | -81.5 | -173.6 | -17.5 | 0 | 0 | 116.6 | Y425 | Q422-Y425 VanDerWaalsContact O-CE1 3.23Å; Q422-Y425 WeakPolarHBondContact O-CE1 3.49Å |
| 423 | N | 35.5 | Very low | 35.5 | Very low | 167 Ų | 167 | 147 Ų | 147 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -98.9 | 15 | -174.7 | -76.1 | -14.5 | 0 | 0 | 0 | 115.6 | ||
| 424 | A | 38.5 | Very low | 35.7 | Very low | 92 Ų | 92 | 150.4 Ų | 150.4 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -105.2 | -6 | -170.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 425 | Y | 35.9 | Very low | 35.4 | Very low | 192 Ų | 192 | 155 Ų | 155 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -103.9 | 11.8 | -177.7 | 62.8 | -92.4 | 0 | 0 | 0 | 114.7 | Q422 | Q422-Y425 VanDerWaalsContact O-CE1 3.23Å; Q422-Y425 WeakPolarHBondContact O-CE1 3.49Å |
| 426 | K | 36.9 | Very low | 35.1 | Very low | 199 Ų | 199 | 154.5 Ų | 154.5 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -112.3 | 38.5 | -175.8 | -133.3 | -177 | -172.4 | -174.1 | 0 | 113.6 | ||
| 427 | S | 30.7 | Very low | 35 | Very low | 117 Ų | 117 | 153.7 Ų | 153.7 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -164.4 | 75 | 178.7 | 175.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 428 | A | 36.6 | Very low | 34.9 | Very low | 95 Ų | 95 | 152.4 Ų | 152.4 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | -161.2 | 62.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 429 | L | 36.5 | Very low | 34.7 | Very low | 169 Ų | 169 | 154.3 Ų | 154.3 | 89% | 0.885 | 82% | 0.819 | S | S | * | * | trans | 65.9 | 177.2 | 146.5 | -46.8 | 176.5 | 0 | 0 | 0 | 116.6 | ||||
| 430 | P | 33.9 | Very low | 34.8 | Very low | 107 Ų | 107 | 151.2 Ų | 151.2 | 70% | 0.695 | 81% | 0.813 | S | S | * | * | -136.4 | 162.1 | -100.6 | 35.2 | -13.9 | 0 | 0 | 0 | 115.4 | |||||
| 431 | F | 30.1 | Very low | 35 | Very low | 204 Ų | 204 | 149.4 Ų | 149.4 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | -172.9 | 130.4 | 127.4 | -127 | -107.3 | 0 | 0 | 0 | 112.3 | |||||
| 432 | S | 31.1 | Very low | 34.8 | Very low | 98 Ų | 98 | 149 Ų | 149 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | trans | -79.9 | 150 | 166.9 | -54.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 433 | F | 31.3 | Very low | 34.8 | Very low | 204 Ų | 204 | 146.1 Ų | 146.1 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | trans | -128.5 | 94.3 | 154.4 | -155.2 | -92 | 0 | 0 | 0 | 109.1 | ||||
| 434 | E | 36.6 | Very low | 34.7 | Very low | 165 Ų | 165 | 145.1 Ų | 145.1 | 77% | 0.771 | 79% | 0.794 | S | S | * | * | trans | -68 | 144.5 | 176.3 | -80.9 | -176.6 | 106.8 | 0 | 0 | 111.7 | ||||
| 435 | K | 30.3 | Very low | 34.6 | Very low | 203 Ų | 203 | 145.5 Ų | 145.5 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | -102 | 94.6 | 179.3 | 178.1 | -172.5 | 177.8 | -176.4 | 0 | 108.8 | ||||
| 436 | T | 31.5 | Very low | 34.4 | Very low | 116 Ų | 116 | 142.5 Ų | 142.5 | 71% | 0.712 | 79% | 0.792 | S | S | * | * | trans | -125.8 | 105.3 | 173.4 | -50 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 437 | V | 31.9 | Very low | 34.5 | Very low | 149 Ų | 149 | 137.1 Ų | 137.1 | 90% | 0.903 | 78% | 0.78 | S | S | * | * | trans | -115 | 109.2 | 164.8 | 176.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 438 | A | 38.9 | Very low | 34.7 | Very low | 88 Ų | 88 | 141.5 Ų | 141.5 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -145.8 | 133.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 439 | E | 32.8 | Very low | 34.6 | Very low | 187 Ų | 187 | 139.9 Ų | 139.9 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | -67.1 | 141 | -178.2 | -66.4 | 147.3 | 85.9 | 0 | 0 | 112.5 | ||||
| 440 | S | 37.4 | Very low | 34.7 | Very low | 110 Ų | 110 | 138.7 Ų | 138.7 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | -177.7 | 120.4 | 123.1 | -81.4 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 441 | L | 39.4 | Very low | 34.7 | Very low | 145 Ų | 145 | 138.7 Ų | 138.7 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | 30.8 | 128.6 | 137.2 | -68.2 | 147.9 | 0 | 0 | 0 | 121.8 | ||||
| 442 | E | 36 | Very low | 35.2 | Very low | 161 Ų | 161 | 134.9 Ų | 134.9 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | 75.2 | 96.9 | 133.2 | -68.9 | 176.4 | 129 | 0 | 0 | 122.2 | ||||
| 443 | S | 38.4 | Very low | 35.3 | Very low | 101 Ų | 101 | 138.6 Ų | 138.6 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | 98.4 | 123.1 | 112.4 | 79.7 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 444 | N | 33.1 | Very low | 35.5 | Very low | 146 Ų | 146 | 137.3 Ų | 137.3 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | trans | 69.8 | 109 | 136.2 | -73.6 | -24.3 | 0 | 0 | 0 | 122.6 | ||||
| 445 | S | 36.8 | Very low | 35.3 | Very low | 99 Ų | 99 | 137.8 Ų | 137.8 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | 101.7 | 125.4 | 113.7 | 77.5 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 446 | V | 33 | Very low | 35.6 | Very low | 130 Ų | 130 | 132.5 Ų | 132.5 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | 70.4 | 135.2 | 124 | 167.5 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 447 | S | 37.6 | Very low | 35.7 | Very low | 85 Ų | 85 | 135.9 Ų | 135.9 | 59% | 0.594 | 78% | 0.777 | S | S | * | * | cis | -172.4 | 155.8 | -7.2 | -99.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 448 | K | 35.4 | Very low | 35.8 | Very low | 209 Ų | 209 | 136.6 Ų | 136.6 | 91% | 0.909 | 77% | 0.772 | S | S | * | * | trans | 58.1 | 138.9 | 142.4 | -67.7 | 174.4 | 177.5 | 177.6 | 0 | 123.1 | ||||
| 449 | G | 35.4 | Very low | 35.5 | Very low | 61 Ų | 61 | 140.5 Ų | 140.5 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | trans | 143.2 | 96.2 | 147.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 450 | T | 38.5 | Very low | 35.5 | Very low | 145 Ų | 145 | 140 Ų | 140 | 89% | 0.89 | 77% | 0.77 | S | S | * | * | 62.7 | 134.1 | 87.8 | 59.6 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 451 | S | 33.3 | Very low | 35 | Very low | 106 Ų | 106 | 139.7 Ų | 139.7 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | cis | -173.9 | -175 | 2.1 | -176.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 452 | V | 40.7 | Very low | 35 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | 76.9 | 109.6 | 162.2 | -165.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 453 | E | 34.3 | Very low | 35.2 | Very low | 176 Ų | 176 | 140.2 Ų | 140.2 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | 83.6 | 113.8 | 54.1 | -172 | 166 | 127.2 | 0 | 0 | 114.1 | |||||
| 454 | E | 34.9 | Very low | 35 | Very low | 178 Ų | 178 | 142.8 Ų | 142.8 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | -177.1 | 158.7 | 113.6 | -163.7 | 159.3 | 113.1 | 0 | 0 | 112.2 | |||||
| 455 | Q | 32.7 | Very low | 35.3 | Very low | 174 Ų | 174 | 141.4 Ų | 141.4 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | -65.7 | 151.5 | -163.2 | -52.6 | 172.6 | -9.7 | 0 | 0 | 117.9 | ||||
| 456 | A | 36.1 | Very low | 35.3 | Very low | 92 Ų | 92 | 141.9 Ų | 141.9 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | 145.6 | 119.7 | 104 | 0 | 0 | 0 | 0 | 0 | 117 | |||||
| 457 | K | 34.2 | Very low | 35.3 | Very low | 187 Ų | 187 | 141.1 Ų | 141.1 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | 68.7 | 90.2 | 131.7 | -163.1 | -175.9 | -174.6 | -176.8 | 0 | 120.7 | ||||
| 458 | M | 32.7 | Very low | 35.3 | Very low | 165 Ų | 165 | 142.2 Ų | 142.2 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | -172.9 | 116.2 | 128.6 | -120.7 | 80.9 | 75 | 0 | 0 | 107.2 | |||||
| 459 | Q | 33.3 | Very low | 35.3 | Very low | 170 Ų | 170 | 138 Ų | 138 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | 79.4 | 103.7 | 84.8 | -174.4 | 164.2 | -39 | 0 | 0 | 115.6 | |||||
| 460 | K | 32.1 | Very low | 35.5 | Very low | 176 Ų | 176 | 142 Ų | 142 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | trans | 100.1 | 110.7 | 138.8 | -157.1 | 133.6 | -179.5 | 179.9 | 0 | 119.7 | ||||
| 461 | C | 28.4 | Very low | 35.3 | Very low | 103 Ų | 103 | 139 Ų | 139 | 70% | 0.696 | 76% | 0.762 | S | S | * | * | trans | 49.9 | 116.1 | 151 | 64.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 462 | D | 38.6 | Very low | 35.5 | Very low | 166 Ų | 166 | 139.2 Ų | 139.2 | 89% | 0.888 | 76% | 0.764 | S | S | * | * | trans | -120.8 | 147.1 | 154.6 | -83.1 | -58.3 | 0 | 0 | 0 | 111.1 | ||||
| 463 | N | 39.3 | Very low | 35.3 | Very low | 152 Ų | 152 | 138.7 Ų | 138.7 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | -84.8 | 136.9 | -172.7 | -63.7 | -64.5 | 0 | 0 | 0 | 111.6 | V465 | N463-V465 PolarHBondContact O-N 2.95Š| ||
| 464 | N | 35.6 | Very low | 35.3 | Very low | 154 Ų | 154 | 135.5 Ų | 135.5 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | trans | -90.5 | 88.2 | -177.1 | -158.3 | 14.9 | 0 | 0 | 0 | 111.1 | V466 | N464-V466 PolarHBondContact O-N 3.12Š| ||
| 465 | V | 38.1 | Very low | 35.5 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 72% | 0.715 | 76% | 0.76 | S | S | * | * | trans | -80.8 | 111.8 | 171.5 | 174.2 | 0 | 0 | 0 | 0 | 109.2 | N463 T467 | N463-V465 PolarHBondContact O-N 2.95Å; V465-T467 PolarHBondContact O-N 2.71Å | ||
| 466 | V | 38 | Very low | 35.7 | Very low | 108 Ų | 108 | 136.3 Ų | 136.3 | 66% | 0.655 | 76% | 0.761 | S | S | * | * | trans | -89.7 | 84.8 | 178.8 | -176.8 | 0 | 0 | 0 | 0 | 110.1 | N464 T468 | N464-V466 PolarHBondContact O-N 3.12Å; V466-T468 PolarHBondContact O-N 3.29Å; V466-T468 VanDerWaalsContact O-N 3.11Å | ||
| 467 | T | 32.8 | Very low | 35.7 | Very low | 115 Ų | 115 | 140.4 Ų | 140.4 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | -68.7 | 103.7 | 170.3 | -55.2 | 0 | 0 | 0 | 0 | 109.9 | V465 T469 | V465-T467 PolarHBondContact O-N 2.71Å; T467-T469 PolarHBondContact O-N 2.87Å | ||
| 468 | T | 37.7 | Very low | 35.8 | Very low | 107 Ų | 107 | 138.2 Ų | 138.2 | 66% | 0.656 | 76% | 0.762 | S | S | * | * | trans | -93.5 | 95.4 | 173.9 | -59.3 | 0 | 0 | 0 | 0 | 110.2 | V466 I470 | V466-T468 PolarHBondContact O-N 3.29Å; V466-T468 VanDerWaalsContact O-N 3.11Å; T468-I470 PolarHBondContact O-N 3.48Å | ||
| 469 | T | 34.9 | Very low | 36.2 | Very low | 120 Ų | 120 | 136 Ų | 136 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | trans | -65.8 | 114.7 | 171.5 | -55.9 | 0 | 0 | 0 | 0 | 110.3 | T467 A471 | T467-T469 PolarHBondContact O-N 2.87Å; T469-A471 PolarHBondContact O-N 3.19Å | ||
| 470 | I | 40 | Very low | 36.7 | Very low | 146 Ų | 146 | 133.6 Ų | 133.6 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | trans | -83 | 99.3 | 172.4 | -52 | 178.5 | 0 | 0 | 0 | 108.2 | T468 S472 | T468-I470 PolarHBondContact O-N 3.48Å; I470-S472 PolarHBondContact O-N 2.97Å; I470-S472 VanDerWaalsContact O-N 3.12Å | ||
| 471 | A | 34.2 | Very low | 36.7 | Very low | 81 Ų | 81 | 131.2 Ų | 131.2 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | trans | -76.3 | 96 | 176 | 0 | 0 | 0 | 0 | 0 | 110.8 | T469 S473 | T469-A471 PolarHBondContact O-N 3.19Å; A471-S473 PolarHBondContact O-N 2.82Å; A471-S473 VanDerWaalsContact O-N 3.12Å | ||
| 472 | S | 36.8 | Very low | 37.4 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | trans | -67.5 | 104.5 | 169 | -66.9 | 0 | 0 | 0 | 0 | 110.3 | I470 S474 | I470-S472 PolarHBondContact O-N 2.97Å; I470-S472 VanDerWaalsContact O-N 3.12Å; S472-S474 PolarHBondContact O-N 3.11Å | ||
| 473 | S | 36.1 | Very low | 37.4 | Very low | 112 Ų | 112 | 130 Ų | 130 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | trans | -66.5 | 102.1 | 178.6 | -62.1 | 0 | 0 | 0 | 0 | 111.6 | A471 I475 | A471-S473 PolarHBondContact O-N 2.82Å; A471-S473 VanDerWaalsContact O-N 3.12Å; S473-I475 PolarHBondContact O-N 2.83Å | ||
| 474 | S | 34.2 | Very low | 37.3 | Very low | 109 Ų | 109 | 131.2 Ų | 131.2 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | trans | -70.9 | 112 | 171.3 | -174.2 | 0 | 0 | 0 | 0 | 110.4 | S472 R476 | S472-S474 PolarHBondContact O-N 3.11Å; S474-R476 PolarHBondContact O-N 2.92Å | ||
| 475 | I | 40.3 | Very low | 37.6 | Very low | 151 Ų | 151 | 128.1 Ų | 128.1 | 77% | 0.774 | 76% | 0.762 | S | S | * | * | trans | -75.4 | 103.4 | 173.2 | -66.4 | 173.8 | 0 | 0 | 0 | 108.2 | S473 Q477 | S473-I475 PolarHBondContact O-N 2.83Å; I475-Q477 PolarHBondContact O-N 3.31Å | ||
| 476 | R | 36.9 | Very low | 37.6 | Very low | 218 Ų | 218 | 129.7 Ų | 129.7 | 82% | 0.823 | 77% | 0.766 | S | S | * | * | trans | -76.8 | 114.6 | 164.9 | -71.7 | -173.3 | 172.6 | -143.1 | -0.9 | 109.2 | S474 D478 | S474-R476 PolarHBondContact O-N 2.92Å; R476-D478 PolarHBondContact O-N 3.25Å | ||
| 477 | Q | 35.5 | Very low | 37.6 | Very low | 179 Ų | 179 | 128.4 Ų | 128.4 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | trans | -82 | 98.9 | 160.6 | -77.7 | -173.3 | -40.9 | 0 | 0 | 108.6 | I475 | I475-Q477 PolarHBondContact O-N 3.31Š| ||
| 478 | D | 36.7 | Very low | 38 | Very low | 141 Ų | 141 | 132.6 Ų | 132.6 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | trans | -87.4 | 130.4 | 168.1 | -132.1 | -66 | 0 | 0 | 0 | 109.1 | R476 P480 | R476-D478 PolarHBondContact O-N 3.25Å; D478-P480 WeakPolarHBondContact O-CD 3.34Å | ||
| 479 | V | 41.9 | Very low | 37.9 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 72% | 0.721 | 78% | 0.78 | S | S | * | * | trans | -117.3 | 97.2 | -168.7 | -153.5 | 0 | 0 | 0 | 0 | 110 | S481 | V479-S481 PolarHBondContact O-N 3.49Š| ||
| 480 | P | 42 | Very low | 38.1 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -80.4 | 105.3 | -178.5 | 30.2 | -32.2 | 0 | 0 | 0 | 111.1 | D478 A482 | D478-P480 WeakPolarHBondContact O-CD 3.34Å; P480-A482 PolarHBondContact O-N 3.33Å | ||
| 481 | S | 32.6 | Very low | 37.9 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -72.6 | 112.2 | 168 | -69.4 | 0 | 0 | 0 | 0 | 110.8 | V479 | V479-S481 PolarHBondContact O-N 3.49Š| ||
| 482 | A | 43.4 | Very low | 38.3 | Very low | 86 Ų | 86 | 131.8 Ų | 131.8 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | -144.8 | 96.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | P480 | P480-A482 PolarHBondContact O-N 3.33Š| ||
| 483 | N | 38.3 | Very low | 38.3 | Very low | 158 Ų | 158 | 131.5 Ų | 131.5 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | trans | 26.3 | 102.2 | 148.6 | -65.7 | -42.8 | 0 | 0 | 0 | 120.3 | A485 | N483-A485 PolarHBondContact O-N 3.31Š| ||
| 484 | L | 36.8 | Very low | 38.9 | Very low | 177 Ų | 177 | 130.4 Ų | 130.4 | 93% | 0.927 | 80% | 0.797 | S | S | * | * | 1.3 | 100.1 | 124.4 | -170.9 | 78.6 | 0 | 0 | 0 | 117 | |||||
| 485 | A | 42.9 | Very low | 39.3 | Very low | 90 Ų | 90 | 132.9 Ų | 132.9 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | trans | -163.5 | 106.3 | 149.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | N483 | N483-A485 PolarHBondContact O-N 3.31Š| ||
| 486 | N | 36.8 | Very low | 39.6 | Very low | 151 Ų | 151 | 132.8 Ų | 132.8 | 81% | 0.807 | 81% | 0.808 | S | S | * | * | trans | 67.2 | 115.4 | 136.9 | -148.7 | 17.1 | 0 | 0 | 0 | 122.7 | ||||
| 487 | S | 39.5 | Very low | 40.3 | Very low | 81 Ų | 81 | 130.3 Ų | 130.3 | 57% | 0.566 | 81% | 0.806 | S | S | * | * | trans | 4.8 | 126.8 | 151.2 | 69.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 488 | K | 41.2 | Very low | 41.1 | Very low | 203 Ų | 203 | 129.3 Ų | 129.3 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | -179.5 | 136.7 | 97.2 | -93.3 | 161.9 | -174.1 | 174.9 | 0 | 110.2 | |||||
| 489 | G | 35.8 | Very low | 41.6 | Very low | 83 Ų | 83 | 126.8 Ų | 126.8 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | trans | -85.2 | 156.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 490 | S | 38.3 | Very low | 42.3 | Very low | 119 Ų | 119 | 124.5 Ų | 124.5 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -150.8 | 132.9 | 147.4 | -168.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 491 | A | 35.2 | Very low | 42.8 | Very low | 100 Ų | 100 | 126.2 Ų | 126.2 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | trans | -84.5 | 129.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 492 | V | 44.3 | Very low | 44 | Very low | 134 Ų | 134 | 125.1 Ų | 125.1 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | -127.6 | 119 | 164 | -178.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 493 | A | 35.9 | Very low | 44.9 | Very low | 106 Ų | 106 | 128.4 Ų | 128.4 | 88% | 0.876 | 77% | 0.774 | S | S | * | * | trans | -75.5 | 125.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 494 | A | 47.7 | Very low | 46.9 | Very low | 90 Ų | 90 | 124.7 Ų | 124.7 | 74% | 0.744 | 76% | 0.755 | S | S | * | * | trans | -142.2 | 123.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 495 | N | 43.4 | Very low | 49.2 | Very low | 160 Ų | 160 | 124.1 Ų | 124.1 | 86% | 0.856 | 74% | 0.74 | S | S | * | * | trans | 1.2 | 118.7 | 172.6 | -61.2 | -14.2 | 0 | 0 | 0 | 118.5 | E497 | N495-E497 PolarHBondContact O-N 3.31Š| ||
| 496 | V | 47 | Very low | 51.5 | Low | 149 Ų | 149 | 125.5 Ų | 125.5 | 90% | 0.903 | 73% | 0.73 | S | S | * | * | trans | -70.5 | 94.3 | 160.3 | 178.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 497 | E | 51 | Low | 54 | Low | 167 Ų | 167 | 124.3 Ų | 124.3 | 78% | 0.78 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 130.6 | 171.2 | -168.2 | 163.9 | 172.9 | 0 | 0 | 109.7 | N495 | N495-E497 PolarHBondContact O-N 3.31Š|
| 498 | L | 52.4 | Low | 56.3 | Low | 157 Ų | 157 | 128.8 Ų | 128.8 | 82% | 0.822 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 141.2 | 179.8 | -76.2 | 161.5 | 0 | 0 | 0 | 110.6 | ||
| 499 | P | 48.1 | Very low | 58.6 | Low | 88 Ų | 88 | 122.4 Ų | 122.4 | 57% | 0.571 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 139.1 | -167.4 | 24.2 | -34 | 0 | 0 | 0 | 113 | E501 | P499-E501 PolarHBondContact O-N 2.87Å; P499-E501 VanDerWaalsContact O-N 3.09Å |
| 500 | A | 56 | Low | 61.3 | Low | 71 Ų | 71 | 122.7 Ų | 122.7 | 59% | 0.587 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -8.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | T502 K503 | A500-T502 PolarHBondContact O-N 3.03Å; A500-K503 PolarHBondContact O-N 2.69Å |
| 501 | E | 51.6 | Low | 64 | Low | 155 Ų | 155 | 120.9 Ų | 120.9 | 72% | 0.724 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -56.4 | -26.6 | -177 | -64.9 | -170.6 | 119.1 | 0 | 0 | 114 | P499 K503 D504 | P499-E501 PolarHBondContact O-N 2.87Å; P499-E501 VanDerWaalsContact O-N 3.09Å; E501-K503 PolarHBondContact O-N 3.4Å; E501-K503 VanDerWaalsContact O-N 3.13Å; E501-D504 PolarHBondContact O-N 3.03Å; E501-D504 VanDerWaalsContact O-N 3.14Å |
| 502 | T | 58 | Low | 66.7 | Low | 103 Ų | 103 | 123.8 Ų | 123.8 | 63% | 0.632 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -66 | -12.2 | 177.7 | 57.1 | 0 | 0 | 0 | 0 | 114.2 | A500 W505 | A500-T502 PolarHBondContact O-N 3.03Å; T502-W505 PolarHBondContact O-NE1 3.38Å |
| 503 | K | 62 | Low | 69 | Low | 154 Ų | 154 | 121.3 Ų | 121.3 | 67% | 0.67 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -90.4 | -25.7 | 174 | -67.1 | 172.6 | -177.1 | 166.2 | 0 | 112.7 | A500 E501 K507 | A500-K503 PolarHBondContact O-N 2.69Å; E501-K503 PolarHBondContact O-N 3.4Å; E501-K503 VanDerWaalsContact O-N 3.13Å; K503-K507 PolarHBondContact O-N 3.11Å |
| 504 | D | 81.4 | Confident | 71.8 | Confident | 80 Ų | 80 | 125.8 Ų | 125.8 | 43% | 0.428 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -75.3 | -36.8 | -174.7 | -84.5 | -16.6 | 0 | 0 | 0 | 113.7 | E501 K506 K507 R508 | E501-D504 PolarHBondContact O-N 3.03Å; E501-D504 VanDerWaalsContact O-N 3.14Å; D504-K506 VanDerWaalsContact C-N 3.27Å; D504-K506 PolarHBondContact O-N 2.93Å; D504-K507 PolarHBondContact O-N 3.47Å; D504-R508 WeakPolarHBondContact O-CG 3.42Å; D504-R508 PolarHBondContact O-N 3.21Å |
| 505 | W | 84.5 | Confident | 74.1 | Confident | 165 Ų | 165 | 126.3 Ų | 126.3 | 63% | 0.625 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -62.4 | -37.6 | 178.7 | 78.4 | -90.5 | 0 | 0 | 0 | 111.8 | T502 R508 C509 | T502-W505 PolarHBondContact O-NE1 3.38Å; W505-R508 PolarHBondContact O-N 3.36Å; W505-C509 WeakPolarHBondContact O-CB 3.42Å; W505-C509 PolarHBondContact O-N 3.18Å |
| 506 | K | 90.6 | Very high | 76.4 | Confident | 120 Ų | 120 | 122.6 Ų | 122.6 | 52% | 0.522 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.1 | -46.5 | 178.2 | 179.8 | 161.1 | -177.7 | 147.4 | 0 | 110.5 | D504 R508 C509 D510 | D504-K506 VanDerWaalsContact C-N 3.27Å; D504-K506 PolarHBondContact O-N 2.93Å; K506-R508 PolarHBondContact O-N 3.22Å; K506-C509 WeakPolarHBondContact O-CB 3.46Å; K506-C509 PolarHBondContact O-N 3.26Å; K506-C509 VanDerWaalsContact O-N 3.08Å; K506-D510 VanDerWaalsContact O-CG 3.3Å; K506-D510 PolarHBondContact O-N 3.39Å |
| 507 | K | 90.7 | Very high | 78.8 | Confident | 126 Ų | 126 | 116.8 Ų | 116.8 | 55% | 0.548 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -56.3 | -46.9 | 173.9 | -171.1 | -170.7 | 171.9 | -166.9 | 0 | 111.8 | K503 D504 C509 D510 D511 | K503-K507 PolarHBondContact O-N 3.11Å; D504-K507 PolarHBondContact O-N 3.47Å; K507-C509 VanDerWaalsContact C-N 3.29Å; K507-C509 PolarHBondContact O-N 3.05Å; K507-D510 PolarHBondContact O-N 3.32Å; K507-D511 WeakPolarHBondContact O-CB 3.49Å; K507-D511 VanDerWaalsContact O-CG 3.32Å; K507-D511 PolarHBondContact O-N 2.93Å |
| 508 | R | 87.9 | Confident | 80.9 | Confident | 174 Ų | 174 | 113.1 Ų | 113.1 | 66% | 0.657 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.8 | -36.3 | 175.4 | -68.3 | 176.7 | -163.4 | 165.3 | 7.8 | 112.7 | D504 W505 K506 K512 | D504-R508 WeakPolarHBondContact O-CG 3.42Å; D504-R508 PolarHBondContact O-N 3.21Å; W505-R508 PolarHBondContact O-N 3.36Å; K506-R508 PolarHBondContact O-N 3.22Å; R508-K512 VanDerWaalsContact O-CB 3.29Å; R508-K512 WeakPolarHBondContact O-CB 3.31Å; R508-K512 PolarHBondContact O-N 3.43Å |
| 509 | C | 89.3 | Confident | 83 | Confident | 69 Ų | 69 | 110.1 Ų | 110.1 | 47% | 0.466 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.9 | -43.5 | 176.2 | -166.7 | 0 | 0 | 0 | 0 | 111.8 | W505 K506 K507 K512 S513 | W505-C509 WeakPolarHBondContact O-CB 3.42Å; W505-C509 PolarHBondContact O-N 3.18Å; K506-C509 WeakPolarHBondContact O-CB 3.46Å; K506-C509 PolarHBondContact O-N 3.26Å; K506-C509 VanDerWaalsContact O-N 3.08Å; K507-C509 VanDerWaalsContact C-N 3.29Å; K507-C509 PolarHBondContact O-N 3.05Å; C509-K512 PolarHBondContact O-N 2.93Å; C509-S513 WeakPolarHBondContact O-CB 3.42Å; C509-S513 PolarHBondContact O-N 3.24Å |
| 510 | D | 92.9 | Very high | 85.2 | Confident | 90 Ų | 90 | 111.4 Ų | 111.4 | 48% | 0.481 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 176.5 | -64.6 | -27.4 | 0 | 0 | 0 | 110.9 | K506 K507 S513 R514 | K506-D510 VanDerWaalsContact O-CG 3.3Å; K506-D510 PolarHBondContact O-N 3.39Å; K507-D510 PolarHBondContact O-N 3.32Å; D510-S513 PolarHBondContact O-N 3.03Å; D510-R514 WeakPolarHBondContact O-CB 3.22Å; D510-R514 PolarHBondContact O-N 3.1Å |
| 511 | D | 93.4 | Very high | 87.1 | Confident | 80 Ų | 80 | 114.5 Ų | 114.5 | 43% | 0.428 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 175 | -73.8 | -30.8 | 0 | 0 | 0 | 111.6 | K507 R514 L515 | K507-D511 WeakPolarHBondContact O-CB 3.49Å; K507-D511 VanDerWaalsContact O-CG 3.32Å; K507-D511 PolarHBondContact O-N 2.93Å; D511-R514 PolarHBondContact O-N 3.5Å; D511-L515 PolarHBondContact O-N 2.84Å |
| 512 | K | 91.7 | Very high | 89.1 | Confident | 162 Ų | 162 | 110.5 Ų | 110.5 | 70% | 0.704 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.8 | -40.8 | 175.3 | -174.1 | 173.8 | -178.5 | 177.1 | 0 | 112.1 | R508 C509 R514 L515 N516 | R508-K512 VanDerWaalsContact O-CB 3.29Å; R508-K512 WeakPolarHBondContact O-CB 3.31Å; R508-K512 PolarHBondContact O-N 3.43Å; C509-K512 PolarHBondContact O-N 2.93Å; K512-R514 VanDerWaalsContact C-N 3.35Å; K512-L515 PolarHBondContact O-N 3.27Å; K512-N516 WeakPolarHBondContact O-CB 3.45Å; K512-N516 PolarHBondContact O-N 2.99Å |
| 513 | S | 93.7 | Very high | 90.9 | Very high | 82 Ų | 82 | 111.4 Ų | 111.4 | 57% | 0.573 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.2 | -41.6 | 175.5 | -171.4 | 0 | 0 | 0 | 0 | 111.6 | C509 D510 N516 G517 | C509-S513 WeakPolarHBondContact O-CB 3.42Å; C509-S513 PolarHBondContact O-N 3.24Å; D510-S513 PolarHBondContact O-N 3.03Å; S513-N516 PolarHBondContact O-N 3.23Å; S513-G517 PolarHBondContact O-N 2.92Å |
| 514 | R | 95.1 | Very high | 92.5 | Very high | 200 Ų | 200 | 111.2 Ų | 111.2 | 76% | 0.755 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64 | -39.7 | 175.3 | -175 | 180 | 179.3 | -167.2 | -0.8 | 112.7 | D510 D511 K512 F518 | D510-R514 WeakPolarHBondContact O-CB 3.22Å; D510-R514 PolarHBondContact O-N 3.1Å; D511-R514 PolarHBondContact O-N 3.5Å; K512-R514 VanDerWaalsContact C-N 3.35Å; R514-F518 PolarHBondContact O-N 3.4Å |
| 515 | L | 94.8 | Very high | 93.2 | Very high | 101 Ų | 101 | 112.5 Ų | 112.5 | 53% | 0.529 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.9 | -43.1 | 175.3 | -177.8 | 61.2 | 0 | 0 | 0 | 111.5 | D511 K512 G517 F518 L519 | D511-L515 PolarHBondContact O-N 2.84Å; K512-L515 PolarHBondContact O-N 3.27Å; L515-G517 PolarHBondContact O-N 3.09Å; L515-F518 WeakPolarHBondContact O-CA 3.48Å; L515-F518 WeakPolarHBondContact O-CB 3.32Å; L515-F518 PolarHBondContact O-N 3.37Å; L515-L519 HydrophobicContact CG-CD1 4.4Å; L515-L519 PolarHBondContact O-N 2.93Å |
| 516 | N | 92.7 | Very high | 93.8 | Very high | 82 Ų | 82 | 110 Ų | 110 | 44% | 0.439 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.2 | -47.1 | 176.4 | -168.3 | 67.7 | 0 | 0 | 0 | 111.4 | K512 S513 F518 L519 E520 | K512-N516 WeakPolarHBondContact O-CB 3.45Å; K512-N516 PolarHBondContact O-N 2.99Å; S513-N516 PolarHBondContact O-N 3.23Å; N516-F518 PolarHBondContact O-N 3.3Å; N516-F518 VanDerWaalsContact O-N 3.14Å; N516-L519 PolarHBondContact O-N 2.98Å; N516-L519 VanDerWaalsContact O-N 3.13Å; N516-E520 PolarHBondContact ND2-OE1 3.02Å; N516-E520 WeakPolarHBondContact O-CG 3.23Å; N516-E520 PolarHBondContact O-N 3.5Å |
| 517 | G | 96.2 | Very high | 94 | Very high | 26 Ų | 26 | 108.5 Ų | 108.5 | 27% | 0.268 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69 | -4.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | S513 L515 R521 | S513-G517 PolarHBondContact O-N 2.92Å; L515-G517 PolarHBondContact O-N 3.09Å; G517-R521 PolarHBondContact O-NE 3.43Å; G517-R521 PolarHBondContact O-NH2 2.87Å |
| 518 | F | 95.9 | Very high | 94.2 | Very high | 90 Ų | 90 | 109 Ų | 109 | 40% | 0.395 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -88.2 | -49 | 164.2 | 174.4 | -92.2 | 0 | 0 | 0 | 110.8 | R514 L515 N516 E520 R521 E522 | R514-F518 PolarHBondContact O-N 3.4Å; L515-F518 WeakPolarHBondContact O-CA 3.48Å; L515-F518 WeakPolarHBondContact O-CB 3.32Å; L515-F518 PolarHBondContact O-N 3.37Å; N516-F518 PolarHBondContact O-N 3.3Å; N516-F518 VanDerWaalsContact O-N 3.14Å; F518-E520 VanDerWaalsContact C-N 3.31Å; F518-E520 PolarHBondContact O-N 3.48Å; F518-R521 WeakPolarHBondContact O-CB 3.46Å; F518-R521 PolarHBondContact O-N 3.06Å; F518-E522 HydrophobicContact CD1-CG 4.28Å; F518-E522 HydrophobicContact CE1-CG 3.72Å; F518-E522 HydrophobicContact CE2-CG 4.36Å; F518-E522 HydrophobicContact CZ-CG 3.76Å; F518-E522 PolarHBondContact O-N 3.4Å |
| 519 | L | 95.6 | Very high | 94.6 | Very high | 95 Ų | 95 | 106 Ų | 106 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.6 | -40 | 177.5 | -65.8 | 171.3 | 0 | 0 | 0 | 112.4 | L515 N516 R521 E522 L523 | L515-L519 HydrophobicContact CG-CD1 4.4Å; L515-L519 PolarHBondContact O-N 2.93Å; N516-L519 PolarHBondContact O-N 2.98Å; N516-L519 VanDerWaalsContact O-N 3.13Å; L519-R521 VanDerWaalsContact C-N 3.27Å; L519-R521 PolarHBondContact O-N 3.14Å; L519-E522 PolarHBondContact O-N 2.93Å; L519-L523 WeakPolarHBondContact O-CB 3.37Å; L519-L523 PolarHBondContact O-N 2.92Å |
| 520 | E | 94.5 | Very high | 95 | Very high | 115 Ų | 115 | 109.4 Ų | 109.4 | 54% | 0.537 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.6 | -32.5 | 174.8 | -72.9 | 171.5 | 179.9 | 0 | 0 | 113.1 | N516 F518 K524 | N516-E520 PolarHBondContact ND2-OE1 3.02Å; N516-E520 WeakPolarHBondContact O-CG 3.23Å; N516-E520 PolarHBondContact O-N 3.5Å; F518-E520 VanDerWaalsContact C-N 3.31Å; F518-E520 PolarHBondContact O-N 3.48Å; E520-K524 WeakPolarHBondContact O-CB 3.4Å; E520-K524 PolarHBondContact O-N 3.34Å; E520-K524 VanDerWaalsContact O-N 3.1Å |
| 521 | R | 95.4 | Very high | 95.1 | Very high | 135 Ų | 135 | 109.5 Ų | 109.5 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -77.2 | -38.2 | 176.6 | -76 | -178.4 | -72.2 | 115.5 | -5.9 | 112.4 | G517 F518 L519 K524 Q525 | G517-R521 PolarHBondContact O-NE 3.43Å; G517-R521 PolarHBondContact O-NH2 2.87Å; F518-R521 WeakPolarHBondContact O-CB 3.46Å; F518-R521 PolarHBondContact O-N 3.06Å; L519-R521 VanDerWaalsContact C-N 3.27Å; L519-R521 PolarHBondContact O-N 3.14Å; R521-K524 PolarHBondContact O-N 2.77Å; R521-Q525 WeakPolarHBondContact O-CG 3.31Å; R521-Q525 PolarHBondContact O-N 3.13Å; R521-Q525 PolarHBondContact O-NE2 3.03Å |
| 522 | E | 95.3 | Very high | 95.2 | Very high | 71 Ų | 71 | 107.4 Ų | 107.4 | 33% | 0.332 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.4 | -46.4 | 173 | -71.1 | -57 | 119 | 0 | 0 | 110.9 | F518 L519 K524 Q525 L526 | F518-E522 HydrophobicContact CD1-CG 4.28Å; F518-E522 HydrophobicContact CE1-CG 3.72Å; F518-E522 HydrophobicContact CE2-CG 4.36Å; F518-E522 HydrophobicContact CZ-CG 3.76Å; F518-E522 PolarHBondContact O-N 3.4Å; L519-E522 PolarHBondContact O-N 2.93Å; E522-K524 VanDerWaalsContact C-N 3.28Å; E522-K524 PolarHBondContact O-N 3.15Å; E522-Q525 PolarHBondContact O-N 3.3Å; E522-Q525 VanDerWaalsContact O-N 3.14Å; E522-Q525 PolarHBondContact OE1-NE2 2.92Å; E522-L526 WeakPolarHBondContact O-CG 3.3Å; E522-L526 PolarHBondContact O-N 2.84Å |
| 523 | L | 95 | Very high | 95.4 | Very high | 122 Ų | 122 | 104.7 Ų | 104.7 | 64% | 0.639 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -58.1 | -40.8 | 175.5 | -176.9 | 62.5 | 0 | 0 | 0 | 111.9 | L519 L526 M527 | L519-L523 WeakPolarHBondContact O-CB 3.37Å; L519-L523 PolarHBondContact O-N 2.92Å; L523-L526 PolarHBondContact O-N 3.18Å; L523-M527 WeakPolarHBondContact O-CB 3.41Å; L523-M527 PolarHBondContact O-N 3.24Å |
| 524 | K | 96.4 | Very high | 95.4 | Very high | 151 Ų | 151 | 104.6 Ų | 104.6 | 66% | 0.657 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.7 | -44.5 | 175.1 | -174.5 | 178 | 177.4 | -177.5 | 0 | 112.4 | E520 R521 E522 M527 E528 | E520-K524 WeakPolarHBondContact O-CB 3.4Å; E520-K524 PolarHBondContact O-N 3.34Å; E520-K524 VanDerWaalsContact O-N 3.1Å; R521-K524 PolarHBondContact O-N 2.77Å; E522-K524 VanDerWaalsContact C-N 3.28Å; E522-K524 PolarHBondContact O-N 3.15Å; K524-M527 PolarHBondContact O-N 3.11Å; K524-E528 PolarHBondContact O-N 3.09Å |
| 525 | Q | 96 | Very high | 95.3 | Very high | 106 Ų | 106 | 98.6 Ų | 98.6 | 50% | 0.495 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 176.1 | -75.8 | 173.6 | 81.2 | 0 | 0 | 111.6 | R521 E522 M527 E528 L529 | R521-Q525 WeakPolarHBondContact O-CG 3.31Å; R521-Q525 PolarHBondContact O-N 3.13Å; R521-Q525 PolarHBondContact O-NE2 3.03Å; E522-Q525 PolarHBondContact O-N 3.3Å; E522-Q525 VanDerWaalsContact O-N 3.14Å; E522-Q525 PolarHBondContact OE1-NE2 2.92Å; Q525-M527 VanDerWaalsContact C-N 3.32Å; Q525-M527 PolarHBondContact O-N 3.48Å; Q525-E528 PolarHBondContact O-N 3.5Å; Q525-L529 WeakPolarHBondContact O-CB 3.35Å; Q525-L529 PolarHBondContact O-N 3.32Å |
| 526 | L | 96.3 | Very high | 95.3 | Very high | 113 Ų | 113 | 97.1 Ų | 97.1 | 59% | 0.592 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.9 | -38.8 | 175.9 | -71.6 | 172.6 | 0 | 0 | 0 | 112.1 | E522 L523 L529 R530 | E522-L526 WeakPolarHBondContact O-CG 3.3Å; E522-L526 PolarHBondContact O-N 2.84Å; L523-L526 PolarHBondContact O-N 3.18Å; L526-L529 PolarHBondContact O-N 2.53Å; L526-R530 VanDerWaalsContact O-CB 3.27Å; L526-R530 WeakPolarHBondContact O-CB 3.42Å; L526-R530 PolarHBondContact O-N 3.36Å |
| 527 | M | 95.2 | Very high | 95.3 | Very high | 89 Ų | 89 | 97.7 Ų | 97.7 | 44% | 0.438 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.1 | -40.2 | 176.7 | -162.9 | 175 | 94.7 | 0 | 0 | 112.2 | L523 K524 Q525 R530 I531 | L523-M527 WeakPolarHBondContact O-CB 3.41Å; L523-M527 PolarHBondContact O-N 3.24Å; K524-M527 PolarHBondContact O-N 3.11Å; Q525-M527 VanDerWaalsContact C-N 3.32Å; Q525-M527 PolarHBondContact O-N 3.48Å; M527-R530 PolarHBondContact O-N 3.37Å; M527-I531 HydrophobicContact CE-CD1 4.38Å; M527-I531 HydrophobicContact CG-CD1 4.26Å; M527-I531 WeakPolarHBondContact O-CD1 3.23Å; M527-I531 VanDerWaalsContact O-CG1 3.26Å; M527-I531 WeakPolarHBondContact O-CG1 3.42Å; M527-I531 PolarHBondContact O-N 3.23Å |
| 528 | E | 95.4 | Very high | 95.2 | Very high | 136 Ų | 136 | 99.7 Ų | 99.7 | 64% | 0.636 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.8 | -43 | 174.5 | -173.5 | 168.5 | -178.6 | 0 | 0 | 111.5 | K524 Q525 I531 G532 | K524-E528 PolarHBondContact O-N 3.09Å; Q525-E528 PolarHBondContact O-N 3.5Å; E528-I531 PolarHBondContact O-N 2.79Å; E528-G532 PolarHBondContact O-N 2.98Å |
| 529 | L | 96.1 | Very high | 95.1 | Very high | 111 Ų | 111 | 102.9 Ų | 102.9 | 58% | 0.581 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.2 | -38.8 | 177.2 | -159.2 | 152.2 | 0 | 0 | 0 | 111.8 | Q525 L526 G532 L533 | Q525-L529 WeakPolarHBondContact O-CB 3.35Å; Q525-L529 PolarHBondContact O-N 3.32Å; L526-L529 PolarHBondContact O-N 2.53Å; L529-G532 PolarHBondContact O-N 3.33Å; L529-L533 HydrophobicContact CD2-CD1 3.71Å; L529-L533 HydrophobicContact CD2-CG 4.16Å; L529-L533 WeakPolarHBondContact O-CG 3.44Å; L529-L533 PolarHBondContact O-N 3.18Å |
| 530 | R | 96.8 | Very high | 94.9 | Very high | 140 Ų | 140 | 102.3 Ų | 102.3 | 53% | 0.528 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.1 | -49.3 | 171.4 | -180 | -177.6 | 177.7 | -67.7 | -13.3 | 111.5 | L526 M527 G532 L533 E534 | L526-R530 VanDerWaalsContact O-CB 3.27Å; L526-R530 WeakPolarHBondContact O-CB 3.42Å; L526-R530 PolarHBondContact O-N 3.36Å; M527-R530 PolarHBondContact O-N 3.37Å; R530-G532 VanDerWaalsContact C-N 3.3Å; R530-G532 PolarHBondContact O-N 3.29Å; R530-L533 PolarHBondContact O-N 3.19Å; R530-E534 IonicContact CZ-OE1 3.07Å; R530-E534 IonicContact CZ-OE2 3.46Å; R530-E534 IonicContact NE-OE1 3.95Å; R530-E534 VanDerWaalsContact NH1-CD 3.27Å; R530-E534 IonicContact NH1-OE1 2.74Å; R530-E534 PolarHBondContact NH1-OE1 3.39Å; R530-E534 IonicContact NH1-OE2 3.38Å; R530-E534 PolarHBondContact NH1-OE2 3Å; R530-E534 IonicContact NH2-OE1 2.67Å; R530-E534 PolarHBondContact NH2-OE1 3.09Å; R530-E534 IonicContact NH2-OE2 3.76Å; R530-E534 WeakPolarHBondContact O-CG 3.43Å; R530-E534 PolarHBondContact O-N 2.9Å |
| 531 | I | 94.8 | Very high | 94.8 | Very high | 93 Ų | 93 | 104.4 Ų | 104.4 | 48% | 0.477 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.5 | -40.3 | 177.7 | -69.1 | 162.6 | 0 | 0 | 0 | 110.7 | M527 E528 E534 S535 | M527-I531 HydrophobicContact CE-CD1 4.38Å; M527-I531 HydrophobicContact CG-CD1 4.26Å; M527-I531 WeakPolarHBondContact O-CD1 3.23Å; M527-I531 VanDerWaalsContact O-CG1 3.26Å; M527-I531 WeakPolarHBondContact O-CG1 3.42Å; M527-I531 PolarHBondContact O-N 3.23Å; E528-I531 PolarHBondContact O-N 2.79Å; I531-E534 PolarHBondContact O-N 3.09Å; I531-S535 WeakPolarHBondContact O-CB 2.93Å; I531-S535 PolarHBondContact O-N 2.82Å |
| 532 | G | 96.1 | Very high | 94.5 | Very high | 35 Ų | 35 | 105.1 Ų | 105.1 | 36% | 0.361 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -56.9 | -52.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E528 L529 R530 S535 E536 | E528-G532 PolarHBondContact O-N 2.98Å; L529-G532 PolarHBondContact O-N 3.33Å; R530-G532 VanDerWaalsContact C-N 3.3Å; R530-G532 PolarHBondContact O-N 3.29Å; G532-S535 PolarHBondContact O-N 3.49Å; G532-S535 PolarHBondContact O-OG 3.26Å; G532-E536 PolarHBondContact O-N 3.42Å |
| 533 | L | 95.1 | Very high | 94.1 | Very high | 105 Ų | 105 | 105.3 Ų | 105.3 | 55% | 0.55 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.9 | -40 | 178.3 | -70.2 | 174.9 | 0 | 0 | 0 | 113 | L529 R530 S535 E536 L537 | L529-L533 HydrophobicContact CD2-CD1 3.71Å; L529-L533 HydrophobicContact CD2-CG 4.16Å; L529-L533 WeakPolarHBondContact O-CG 3.44Å; L529-L533 PolarHBondContact O-N 3.18Å; R530-L533 PolarHBondContact O-N 3.19Å; L533-S535 VanDerWaalsContact C-N 3.34Å; L533-E536 PolarHBondContact O-N 3.46Å; L533-L537 WeakPolarHBondContact O-CB 3.37Å; L533-L537 WeakPolarHBondContact O-CG 3.38Å; L533-L537 PolarHBondContact O-N 3.12Å |
| 534 | E | 94.4 | Very high | 93.6 | Very high | 81 Ų | 81 | 104.9 Ų | 104.9 | 38% | 0.379 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 174.8 | -73.4 | -178.5 | 143.9 | 0 | 0 | 111.4 | R530 I531 E536 L537 D538 | R530-E534 IonicContact CZ-OE1 3.07Å; R530-E534 IonicContact CZ-OE2 3.46Å; R530-E534 IonicContact NE-OE1 3.95Å; R530-E534 VanDerWaalsContact NH1-CD 3.27Å; R530-E534 IonicContact NH1-OE1 2.74Å; R530-E534 PolarHBondContact NH1-OE1 3.39Å; R530-E534 IonicContact NH1-OE2 3.38Å; R530-E534 PolarHBondContact NH1-OE2 3Å; R530-E534 IonicContact NH2-OE1 2.67Å; R530-E534 PolarHBondContact NH2-OE1 3.09Å; R530-E534 IonicContact NH2-OE2 3.76Å; R530-E534 WeakPolarHBondContact O-CG 3.43Å; R530-E534 PolarHBondContact O-N 2.9Å; I531-E534 PolarHBondContact O-N 3.09Å; E534-E536 VanDerWaalsContact C-N 3.35Å; E534-E536 PolarHBondContact O-N 3.44Å; E534-L537 PolarHBondContact O-N 3.27Å; E534-D538 PolarHBondContact O-N 3.26Å |
| 535 | S | 93.6 | Very high | 92.7 | Very high | 73 Ų | 73 | 102.8 Ų | 102.8 | 51% | 0.51 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.2 | -36.2 | 176.9 | 79.2 | 0 | 0 | 0 | 0 | 113 | I531 G532 L533 R539 | I531-S535 WeakPolarHBondContact O-CB 2.93Å; I531-S535 PolarHBondContact O-N 2.82Å; G532-S535 PolarHBondContact O-N 3.49Å; G532-S535 PolarHBondContact O-OG 3.26Å; L533-S535 VanDerWaalsContact C-N 3.34Å; S535-R539 WeakPolarHBondContact O-CB 3.22Å; S535-R539 PolarHBondContact O-N 3.26Å |
| 536 | E | 94.6 | Very high | 91 | Very high | 71 Ų | 71 | 105.4 Ų | 105.4 | 33% | 0.332 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -73.9 | -38.9 | 177.3 | -172 | 57.8 | -155.1 | 0 | 0 | 111.6 | G532 L533 E534 D538 R539 L540 | G532-E536 PolarHBondContact O-N 3.42Å; L533-E536 PolarHBondContact O-N 3.46Å; E534-E536 VanDerWaalsContact C-N 3.35Å; E534-E536 PolarHBondContact O-N 3.44Å; E536-D538 VanDerWaalsContact C-N 3.34Å; E536-D538 PolarHBondContact O-N 3.19Å; E536-R539 VanDerWaalsContact CD-NE 3.34Å; E536-R539 WeakPolarHBondContact O-CB 3.37Å; E536-R539 PolarHBondContact O-N 2.93Å; E536-R539 IonicContact OE1-CZ 3.74Å; E536-R539 VanDerWaalsContact OE1-CZ 3.29Å; E536-R539 IonicContact OE1-NE 2.83Å; E536-R539 PolarHBondContact OE1-NE 3.01Å; E536-R539 VanDerWaalsContact OE1-NE 3.1Å; E536-R539 IonicContact OE1-NH2 3.56Å; E536-R539 PolarHBondContact OE1-NH2 3.28Å; E536-R539 IonicContact OE2-CZ 3.21Å; E536-R539 IonicContact OE2-NE 3.17Å; E536-R539 PolarHBondContact OE2-NE 3.46Å; E536-R539 IonicContact OE2-NH2 2.65Å; E536-L540 WeakPolarHBondContact O-CG 3.19Å; E536-L540 PolarHBondContact O-N 3.5Å |
| 537 | L | 93.5 | Very high | 90.7 | Very high | 93 Ų | 93 | 105 Ų | 105 | 49% | 0.487 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.6 | -41.2 | 171.4 | -77.3 | 173.4 | 0 | 0 | 0 | 112.2 | L533 E534 L540 R541 | L533-L537 WeakPolarHBondContact O-CB 3.37Å; L533-L537 WeakPolarHBondContact O-CG 3.38Å; L533-L537 PolarHBondContact O-N 3.12Å; E534-L537 PolarHBondContact O-N 3.27Å; L537-L540 PolarHBondContact O-N 3.14Å; L537-R541 WeakPolarHBondContact O-CB 3.16Å; L537-R541 VanDerWaalsContact O-CG 3.29Å; L537-R541 WeakPolarHBondContact O-CG 3.28Å; L537-R541 PolarHBondContact O-N 2.56Å |
| 538 | D | 93.5 | Very high | 90.5 | Very high | 69 Ų | 69 | 105.8 Ų | 105.8 | 37% | 0.369 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -71.5 | -29.6 | 175.6 | -86 | -0.2 | 0 | 0 | 0 | 112.9 | E534 E536 R541 K542 | E534-D538 PolarHBondContact O-N 3.26Å; E536-D538 VanDerWaalsContact C-N 3.34Å; E536-D538 PolarHBondContact O-N 3.19Å; D538-R541 IonicContact OD1-CZ 3.93Å; D538-R541 IonicContact OD1-NH1 2.9Å; D538-R541 PolarHBondContact OD1-NH1 3.04Å; D538-K542 VanDerWaalsContact O-CD 3.31Å; D538-K542 WeakPolarHBondContact O-CD 3.13Å; D538-K542 VanDerWaalsContact O-CG 3.22Å; D538-K542 WeakPolarHBondContact O-CG 3.01Å; D538-K542 PolarHBondContact O-N 3.17Å; D538-K542 VanDerWaalsContact O-N 3.15Å |
| 539 | R | 93.2 | Very high | 90.2 | Very high | 157 Ų | 157 | 104.2 Ų | 104.2 | 59% | 0.592 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65 | -45.9 | 170 | -165.9 | 175.8 | 79.3 | 100.2 | 2.5 | 110.9 | S535 E536 K542 S543 | S535-R539 WeakPolarHBondContact O-CB 3.22Å; S535-R539 PolarHBondContact O-N 3.26Å; E536-R539 VanDerWaalsContact CD-NE 3.34Å; E536-R539 WeakPolarHBondContact O-CB 3.37Å; E536-R539 PolarHBondContact O-N 2.93Å; E536-R539 IonicContact OE1-CZ 3.74Å; E536-R539 VanDerWaalsContact OE1-CZ 3.29Å; E536-R539 IonicContact OE1-NE 2.83Å; E536-R539 PolarHBondContact OE1-NE 3.01Å; E536-R539 VanDerWaalsContact OE1-NE 3.1Å; E536-R539 IonicContact OE1-NH2 3.56Å; E536-R539 PolarHBondContact OE1-NH2 3.28Å; E536-R539 IonicContact OE2-CZ 3.21Å; E536-R539 IonicContact OE2-NE 3.17Å; E536-R539 PolarHBondContact OE2-NE 3.46Å; E536-R539 IonicContact OE2-NH2 2.65Å; R539-K542 PolarHBondContact O-N 3.49Å; R539-S543 PolarHBondContact O-N 2.94Å |
| 540 | L | 91.3 | Very high | 89.9 | Confident | 83 Ų | 83 | 103.8 Ų | 103.8 | 44% | 0.435 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.8 | -48.5 | 176.5 | -71.6 | 169 | 0 | 0 | 0 | 111.6 | E536 L537 K542 S543 T544 | E536-L540 WeakPolarHBondContact O-CG 3.19Å; E536-L540 PolarHBondContact O-N 3.5Å; L537-L540 PolarHBondContact O-N 3.14Å; L540-K542 VanDerWaalsContact C-N 3.29Å; L540-K542 PolarHBondContact O-N 2.8Å; L540-S543 WeakPolarHBondContact CA-OG 3.43Å; L540-S543 CarbonylContact O-C 3.54Å; L540-S543 WeakPolarHBondContact O-CA 3.48Å; L540-S543 PolarHBondContact O-N 3.35Å; L540-S543 PolarHBondContact O-OG 3.2Å; L540-T544 PolarHBondContact O-N 3.38Å; L540-T544 PolarHBondContact O-OG1 3.2Å |
| 541 | R | 92.4 | Very high | 89.5 | Confident | 159 Ų | 159 | 101.5 Ų | 101.5 | 60% | 0.6 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -55 | -41.3 | 175.8 | -76.8 | 168.9 | 174.5 | 162 | -3 | 113.1 | L537 D538 T544 S545 | L537-R541 WeakPolarHBondContact O-CB 3.16Å; L537-R541 VanDerWaalsContact O-CG 3.29Å; L537-R541 WeakPolarHBondContact O-CG 3.28Å; L537-R541 PolarHBondContact O-N 2.56Å; D538-R541 IonicContact OD1-CZ 3.93Å; D538-R541 IonicContact OD1-NH1 2.9Å; D538-R541 PolarHBondContact OD1-NH1 3.04Å; R541-T544 WeakPolarHBondContact CA-OG1 3.08Å; R541-T544 PolarHBondContact O-N 3.35Å; R541-T544 PolarHBondContact O-OG1 3.27Å; R541-S545 WeakPolarHBondContact O-CB 3.45Å; R541-S545 PolarHBondContact O-N 3.12Å |
| 542 | K | 90.1 | Very high | 89.1 | Confident | 150 Ų | 150 | 102.1 Ų | 102.1 | 65% | 0.652 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.6 | -39.4 | 175.3 | -72.3 | 163.4 | -171.4 | 162.8 | 0 | 111.6 | D538 R539 L540 S545 | D538-K542 VanDerWaalsContact O-CD 3.31Å; D538-K542 WeakPolarHBondContact O-CD 3.13Å; D538-K542 VanDerWaalsContact O-CG 3.22Å; D538-K542 WeakPolarHBondContact O-CG 3.01Å; D538-K542 PolarHBondContact O-N 3.17Å; D538-K542 VanDerWaalsContact O-N 3.15Å; R539-K542 PolarHBondContact O-N 3.49Å; L540-K542 VanDerWaalsContact C-N 3.29Å; L540-K542 PolarHBondContact O-N 2.8Å; K542-S545 PolarHBondContact O-N 2.92Å |
| 543 | S | 86.7 | Confident | 88.6 | Confident | 75 Ų | 75 | 106.9 Ų | 106.9 | 52% | 0.524 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -70.5 | -28 | 176.9 | 71 | 0 | 0 | 0 | 0 | 114.3 | R539 L540 | R539-S543 PolarHBondContact O-N 2.94Å; L540-S543 WeakPolarHBondContact CA-OG 3.43Å; L540-S543 CarbonylContact O-C 3.54Å; L540-S543 WeakPolarHBondContact O-CA 3.48Å; L540-S543 PolarHBondContact O-N 3.35Å; L540-S543 PolarHBondContact O-OG 3.2Å |
| 544 | T | 84.7 | Confident | 88.1 | Confident | 113 Ų | 113 | 107 Ų | 107 | 69% | 0.693 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -6.6 | 176.4 | 53.9 | 0 | 0 | 0 | 0 | 114.2 | L540 R541 | L540-T544 PolarHBondContact O-N 3.38Å; L540-T544 PolarHBondContact O-OG1 3.2Å; R541-T544 WeakPolarHBondContact CA-OG1 3.08Å; R541-T544 PolarHBondContact O-N 3.35Å; R541-T544 PolarHBondContact O-OG1 3.27Å |
| 545 | S | 77.2 | Confident | 87.6 | Confident | 107 Ų | 107 | 109.2 Ų | 109.2 | 75% | 0.748 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | 4.1 | -179.4 | -174.4 | 0 | 0 | 0 | 0 | 113.1 | R541 K542 | R541-S545 WeakPolarHBondContact O-CB 3.45Å; R541-S545 PolarHBondContact O-N 3.12Å; K542-S545 PolarHBondContact O-N 2.92Å |
| 546 | S | 60.4 | Low | 87 | Confident | 160 Ų | 160 | 112.5 Ų | 112.5 | 100% | 1.119 | 60% | 0.596 | S | S | * | * | trans | -115.8 | 0 | 176 | -176.6 | 0 | 0 | 0 | 0 | 111.1 |
Retrieved 546 of 546 residues in 67.5 ms
(Link to these results)