| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.4 | Very low | 33.4 | Very low | 237 Ų | 237 | 138.6 Ų | 138.6 | 100% | 1.167 | 81% | 0.807 | S | S | * | * | 0 | 112.6 | 0 | -67.1 | 176.2 | -179.4 | 0 | 0 | 105.1 | |||||
| 2 | A | 33.8 | Very low | 33.2 | Very low | 92 Ų | 92 | 133.7 Ų | 133.7 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | 82.1 | 132.7 | 91.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 3 | N | 31.6 | Very low | 32.8 | Very low | 152 Ų | 152 | 135 Ų | 135 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | cis | -143.2 | 161.2 | 16.8 | -123.9 | 15.1 | 0 | 0 | 0 | 113.2 | ||||
| 4 | T | 42.2 | Very low | 32.4 | Very low | 112 Ų | 112 | 136.6 Ų | 136.6 | 69% | 0.687 | 81% | 0.805 | S | S | * | * | trans | -82.2 | 161.2 | 157.9 | 50.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 5 | N | 36.5 | Very low | 32.2 | Very low | 128 Ų | 128 | 135.5 Ų | 135.5 | 68% | 0.684 | 80% | 0.8 | S | S | * | * | 158.3 | 120.1 | 129.2 | -78.4 | 14.3 | 0 | 0 | 0 | 107.4 | |||||
| 6 | E | 33.1 | Very low | 31.9 | Very low | 165 Ų | 165 | 137.4 Ų | 137.4 | 77% | 0.771 | 80% | 0.802 | S | S | * | * | 82.9 | 150.9 | 55.2 | -162 | -171.1 | -132.9 | 0 | 0 | 112.3 | |||||
| 7 | V | 32 | Very low | 31.9 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 71% | 0.709 | 80% | 0.8 | S | S | * | * | trans | 77.9 | 131 | 171.4 | 178.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 8 | T | 26.9 | Very low | 31.9 | Very low | 121 Ų | 121 | 139.4 Ų | 139.4 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | cis | -161.4 | 167.5 | -14.6 | 25.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 9 | V | 28.3 | Very low | 31.8 | Very low | 136 Ų | 136 | 140.1 Ų | 140.1 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | trans | -23 | 148.2 | 163.2 | -72.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 10 | S | 30.8 | Very low | 31.9 | Very low | 123 Ų | 123 | 143 Ų | 143 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | -164.4 | 166.2 | 106.3 | -157.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 11 | V | 37.6 | Very low | 32 | Very low | 142 Ų | 142 | 143.7 Ų | 143.7 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | trans | -93.8 | 146.1 | -179.9 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 12 | G | 31.4 | Very low | 32.2 | Very low | 79 Ų | 79 | 141.6 Ų | 141.6 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | trans | -154.3 | 130.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 13 | D | 28.5 | Very low | 32.2 | Very low | 151 Ų | 151 | 141.4 Ų | 141.4 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | trans | -120.4 | 172 | -170.1 | -177.3 | 29.2 | 0 | 0 | 0 | 111.2 | ||||
| 14 | M | 26.5 | Very low | 32.2 | Very low | 157 Ų | 157 | 141.9 Ų | 141.9 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | 93.2 | 148.3 | 150.5 | -141.1 | -174.3 | -149 | 0 | 0 | 120 | ||||
| 15 | V | 29.4 | Very low | 32.1 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | 74 | 106.9 | 167.3 | -164.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 16 | M | 27 | Very low | 31.9 | Very low | 167 Ų | 167 | 142.2 Ų | 142.2 | 82% | 0.823 | 81% | 0.811 | S | S | * | * | cis | 89 | 145.3 | 32.7 | -161.3 | -161.1 | -169 | 0 | 0 | 114 | ||||
| 17 | V | 32.8 | Very low | 32 | Very low | 128 Ų | 128 | 142 Ų | 142 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | trans | 75.8 | 142.3 | 172.3 | -171.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 18 | K | 31.6 | Very low | 32.6 | Very low | 182 Ų | 182 | 140.6 Ų | 140.6 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | cis | -168 | 149.5 | -31.4 | 174.7 | 179.5 | 171.5 | -170.6 | 0 | 106.2 | ||||
| 19 | N | 29.7 | Very low | 33.1 | Very low | 152 Ų | 152 | 142.4 Ų | 142.4 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | trans | -71.8 | 147.2 | 179.3 | -58.9 | 3.9 | 0 | 0 | 0 | 113 | ||||
| 20 | E | 33.2 | Very low | 33.4 | Very low | 198 Ų | 198 | 145.2 Ų | 145.2 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | trans | -123.6 | 173.8 | 160.2 | -64.9 | -174.8 | -164 | 0 | 0 | 108.2 | ||||
| 21 | D | 34.9 | Very low | 33.7 | Very low | 159 Ų | 159 | 146.1 Ų | 146.1 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | trans | -115.1 | -173.7 | -144.1 | -160.1 | 10.6 | 0 | 0 | 0 | 115.4 | ||||
| 22 | E | 38.1 | Very low | 33.6 | Very low | 193 Ų | 193 | 147.1 Ų | 147.1 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | trans | 89.9 | 122.6 | 171.4 | -55.9 | -158.4 | 111.2 | 0 | 0 | 118.3 | ||||
| 23 | G | 33.8 | Very low | 33.8 | Very low | 88 Ų | 88 | 149.2 Ų | 149.2 | 91% | 0.907 | 81% | 0.807 | S | S | * | * | trans | 159.7 | 76.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 24 | D | 32.1 | Very low | 34.1 | Very low | 162 Ų | 162 | 148.4 Ų | 148.4 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | trans | -114.8 | 141.5 | 176.7 | -178.7 | 33.5 | 0 | 0 | 0 | 112.4 | ||||
| 25 | S | 38.9 | Very low | 34.3 | Very low | 103 Ų | 103 | 147.9 Ų | 147.9 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | trans | 161.8 | 101 | 153.4 | 177.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 26 | D | 33.7 | Very low | 34.5 | Very low | 144 Ų | 144 | 150.6 Ų | 150.6 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | trans | 23.9 | 126.3 | 151.2 | -70.7 | -62.5 | 0 | 0 | 0 | 122.6 | ||||
| 27 | D | 35.3 | Very low | 35 | Very low | 159 Ų | 159 | 150.3 Ų | 150.3 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | -153.8 | 140.3 | 110.6 | -144.9 | 10.4 | 0 | 0 | 0 | 109.4 | |||||
| 28 | P | 43.4 | Very low | 34.8 | Very low | 88 Ų | 88 | 153 Ų | 153 | 57% | 0.571 | 81% | 0.811 | S | S | * | * | trans | -100.9 | 155.5 | -164.2 | 37.3 | -33.5 | 0 | 0 | 0 | 114.9 | ||||
| 29 | N | 37.5 | Very low | 34.9 | Very low | 159 Ų | 159 | 149.5 Ų | 149.5 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | 155.1 | 69.7 | 138.1 | -81.4 | -48.4 | 0 | 0 | 0 | 113.4 | ||||
| 30 | K | 35.7 | Very low | 35 | Very low | 195 Ų | 195 | 150.5 Ų | 150.5 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | trans | -152.7 | 53.8 | 163.7 | -155.7 | 173.7 | -178.9 | 177.2 | 0 | 114.2 | Q32 | K30-Q32 PolarHBondContact O-N 3.18Š| ||
| 31 | T | 37.1 | Very low | 34.8 | Very low | 142 Ų | 142 | 145.3 Ų | 145.3 | 87% | 0.871 | 80% | 0.796 | S | S | * | * | trans | -76.3 | 90.1 | 178.8 | -41.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 32 | Q | 35.2 | Very low | 34.5 | Very low | 163 Ų | 163 | 144.3 Ų | 144.3 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | -75.7 | 138.8 | 173.2 | -164.7 | 169.6 | 14.6 | 0 | 0 | 110.5 | K30 I34 | K30-Q32 PolarHBondContact O-N 3.18Å; Q32-I34 PolarHBondContact O-N 3.48Å | ||
| 33 | V | 35.8 | Very low | 34 | Very low | 123 Ų | 123 | 138.8 Ų | 138.8 | 75% | 0.745 | 79% | 0.791 | S | S | * | * | trans | -77.2 | 114.4 | -173.9 | 178.8 | 0 | 0 | 0 | 0 | 111.2 | L35 | V33-L35 HydrophobicContact CG1-CD1 3.58Š| ||
| 34 | I | 33.9 | Very low | 33.9 | Very low | 134 Ų | 134 | 141.5 Ų | 141.5 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | trans | -130.7 | 102.5 | 168.1 | -58.9 | 179.6 | 0 | 0 | 0 | 108.5 | Q32 Q36 | Q32-I34 PolarHBondContact O-N 3.48Å; I34-Q36 HydrophobicContact CG2-CG 4.09Å; I34-Q36 PolarHBondContact O-N 3.09Å | ||
| 35 | L | 31.6 | Very low | 34.1 | Very low | 147 Ų | 147 | 141.9 Ų | 141.9 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -82.7 | 88.9 | 168.5 | -80 | 89 | 0 | 0 | 0 | 109.8 | V33 | V33-L35 HydrophobicContact CG1-CD1 3.58Š| ||
| 36 | Q | 34.3 | Very low | 33.8 | Very low | 176 Ų | 176 | 141.9 Ų | 141.9 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | -100.1 | 104.2 | 157.5 | -79.5 | -174.5 | -12.1 | 0 | 0 | 109 | I34 | I34-Q36 HydrophobicContact CG2-CG 4.09Å; I34-Q36 PolarHBondContact O-N 3.09Å | ||
| 37 | L | 35.5 | Very low | 34 | Very low | 162 Ų | 162 | 138.5 Ų | 138.5 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | trans | -76.3 | 122.4 | 176.6 | -71 | 163.6 | 0 | 0 | 0 | 109.9 | ||||
| 38 | Q | 30.4 | Very low | 34.2 | Very low | 183 Ų | 183 | 139.2 Ų | 139.2 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | -123.5 | 156.6 | 162.1 | -85.7 | -158.4 | -2 | 0 | 0 | 110.5 | ||||
| 39 | P | 33.5 | Very low | 34.1 | Very low | 109 Ų | 109 | 142.3 Ų | 142.3 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | trans | -90.8 | 149.1 | -146.3 | 33.7 | -36.4 | 0 | 0 | 0 | 114.5 | ||||
| 40 | I | 30.9 | Very low | 33.8 | Very low | 174 Ų | 174 | 142.2 Ų | 142.2 | 89% | 0.892 | 79% | 0.788 | S | S | * | * | trans | -86.3 | 134.3 | 162.7 | -55 | 177.1 | 0 | 0 | 0 | 107.9 | ||||
| 41 | S | 29.6 | Very low | 33.6 | Very low | 89 Ų | 89 | 137.1 Ų | 137.1 | 62% | 0.622 | 78% | 0.782 | S | S | * | * | trans | -114 | 164.4 | 179.8 | -78.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 42 | T | 29.3 | Very low | 33.4 | Very low | 137 Ų | 137 | 134.5 Ų | 134.5 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | trans | 67.6 | 135.8 | 162 | 48.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 43 | G | 27.2 | Very low | 33.1 | Very low | 77 Ų | 77 | 133 Ų | 133 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | 159.1 | 56.9 | -176 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 44 | D | 30.9 | Very low | 33.1 | Very low | 145 Ų | 145 | 135.2 Ų | 135.2 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | trans | -71 | 147.4 | -169 | -58.3 | -81.7 | 0 | 0 | 0 | 115.1 | ||||
| 45 | E | 35.7 | Very low | 33.1 | Very low | 171 Ų | 171 | 133.1 Ų | 133.1 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | -164.1 | 153.3 | 129.8 | -106.4 | -94 | 54.5 | 0 | 0 | 112.3 | |||||
| 46 | S | 32.5 | Very low | 33.3 | Very low | 102 Ų | 102 | 132.6 Ų | 132.6 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | trans | -19.5 | 150.8 | 171.6 | -61.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 47 | A | 39.3 | Very low | 33.3 | Very low | 74 Ų | 74 | 131.2 Ų | 131.2 | 61% | 0.612 | 78% | 0.78 | S | S | * | * | cis | -168 | 167.9 | -7.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 48 | E | 38.3 | Very low | 33.2 | Very low | 173 Ų | 173 | 128 Ų | 128 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | trans | 37.8 | 109.7 | 151.2 | 70.9 | -160.2 | 120.8 | 0 | 0 | 122.1 | ||||
| 49 | T | 41.3 | Very low | 33.3 | Very low | 154 Ų | 154 | 126.1 Ų | 126.1 | 95% | 0.945 | 77% | 0.768 | S | S | * | * | -164.5 | 146.8 | 112.1 | 10.9 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 50 | D | 31.2 | Very low | 33.7 | Very low | 157 Ų | 157 | 126.3 Ų | 126.3 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | trans | -115.2 | 129.8 | -176.3 | 180 | -7.3 | 0 | 0 | 0 | 110.2 | ||||
| 51 | A | 32.6 | Very low | 34 | Very low | 87 Ų | 87 | 126.5 Ų | 126.5 | 72% | 0.719 | 77% | 0.769 | S | S | * | * | trans | -174.2 | 134.8 | 144.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 52 | A | 33.1 | Very low | 34.4 | Very low | 88 Ų | 88 | 131.4 Ų | 131.4 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | 58.5 | 89.7 | 145.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 53 | V | 29.1 | Very low | 34.7 | Very low | 132 Ų | 132 | 130.6 Ų | 130.6 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | -64.1 | 129.1 | 155.7 | -179.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 54 | M | 34.8 | Very low | 35.2 | Very low | 168 Ų | 168 | 136 Ų | 136 | 83% | 0.828 | 78% | 0.782 | S | S | * | * | trans | -133 | 91.1 | 164.9 | -83.7 | -74 | 115.1 | 0 | 0 | 109.5 | ||||
| 55 | A | 33.5 | Very low | 35.9 | Very low | 91 Ų | 91 | 133.5 Ų | 133.5 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | -75.3 | 121.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 56 | V | 36.8 | Very low | 36 | Very low | 135 Ų | 135 | 132 Ų | 132 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -111.6 | 119.6 | 165.5 | 178 | 0 | 0 | 0 | 0 | 107 | A58 | V56-A58 PolarHBondContact O-N 2.93Š| ||
| 57 | E | 33.4 | Very low | 36.7 | Very low | 147 Ų | 147 | 132.3 Ų | 132.3 | 69% | 0.687 | 78% | 0.781 | S | S | * | * | trans | -67.2 | 125.2 | -174.4 | -59 | 176.3 | 148.3 | 0 | 0 | 110.8 | Q59 | E57-Q59 HydrophobicContact CB-CG 3.9Å; E57-Q59 PolarHBondContact O-N 3.48Å; E57-Q59 PolarHBondContact OE2-NE2 3.43Å | ||
| 58 | A | 33.3 | Very low | 37.6 | Very low | 94 Ų | 94 | 134.4 Ų | 134.4 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | trans | -74.8 | 76.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109 | V56 S60 | V56-A58 PolarHBondContact O-N 2.93Å; A58-S60 PolarHBondContact O-N 3.18Å; A58-S60 PolarHBondContact O-OG 2.99Å | ||
| 59 | Q | 34 | Very low | 39.6 | Very low | 145 Ų | 145 | 129.9 Ų | 129.9 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | trans | -61.7 | 108.1 | -178.2 | -69.6 | -171.5 | -11 | 0 | 0 | 110.2 | E57 E61 | E57-Q59 HydrophobicContact CB-CG 3.9Å; E57-Q59 PolarHBondContact O-N 3.48Å; E57-Q59 PolarHBondContact OE2-NE2 3.43Å; Q59-E61 PolarHBondContact O-N 3Å | ||
| 60 | S | 41.6 | Very low | 41.7 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 78% | 0.783 | 74% | 0.744 | S | S | * | * | trans | -83.4 | 86 | 178 | -60.7 | 0 | 0 | 0 | 0 | 108.8 | A58 Q62 | A58-S60 PolarHBondContact O-N 3.18Å; A58-S60 PolarHBondContact O-OG 2.99Å; S60-Q62 VanDerWaalsContact C-N 3.31Å; S60-Q62 PolarHBondContact O-N 3.27Å | ||
| 61 | E | 35.6 | Very low | 44.6 | Very low | 178 Ų | 178 | 121.5 Ų | 121.5 | 83% | 0.832 | 72% | 0.722 | S | S | * | * | trans | -69.5 | 90 | 172.5 | -70.7 | -157.5 | 110.5 | 0 | 0 | 110.2 | Q59 T63 | Q59-E61 PolarHBondContact O-N 3Å; E61-T63 PolarHBondContact O-N 3.37Å | ||
| 62 | Q | 39.7 | Very low | 47.5 | Very low | 192 Ų | 192 | 118.8 Ų | 118.8 | 90% | 0.897 | 70% | 0.697 | S | S | * | * | trans | -91.8 | 87 | -178.5 | -171.5 | 177.9 | 34.9 | 0 | 0 | 110.3 | S60 | S60-Q62 VanDerWaalsContact C-N 3.31Å; S60-Q62 PolarHBondContact O-N 3.27Å | ||
| 63 | T | 34.4 | Very low | 50.4 | Low | 121 Ų | 121 | 119.2 Ų | 119.2 | 74% | 0.742 | 69% | 0.693 | S | S | * | * | trans | -104.9 | 124.3 | 175.9 | 49.2 | 0 | 0 | 0 | 0 | 112.9 | E61 | E61-T63 PolarHBondContact O-N 3.37Š| ||
| 64 | E | 38.8 | Very low | 53.6 | Low | 191 Ų | 191 | 113 Ų | 113 | 89% | 0.893 | 66% | 0.655 | S | S | * | * | S | Bend | trans | 37 | 91.4 | 157.2 | -65.2 | -170.8 | 116.7 | 0 | 0 | 119.2 | D66 | E64-D66 PolarHBondContact O-N 2.87Š|
| 65 | G | 44.6 | Very low | 56.6 | Low | 92 Ų | 92 | 107.2 Ų | 107.2 | 95% | 0.948 | 63% | 0.629 | S | S | * | * | 63.7 | 21.1 | 128.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 66 | D | 37.7 | Very low | 59.5 | Low | 139 Ų | 139 | 102.9 Ų | 102.9 | 74% | 0.743 | 59% | 0.593 | S | S | * | * | trans | -83.2 | 154.1 | -178.5 | -161.6 | 18.2 | 0 | 0 | 0 | 114.2 | E64 V68 | E64-D66 PolarHBondContact O-N 2.87Å; D66-V68 PolarHBondContact O-N 2.94Å; D66-V68 VanDerWaalsContact O-N 3.12Å | ||
| 67 | D | 48.3 | Very low | 62.1 | Low | 108 Ų | 108 | 98.2 Ų | 98.2 | 58% | 0.578 | 57% | 0.573 | S | S | * | * | trans | -71.9 | 97.6 | -177.7 | 169.6 | 45.2 | 0 | 0 | 0 | 111.7 | E69 K86 | D67-E69 PolarHBondContact O-N 3.34Å; D67-K86 PolarHBondContact O-NZ 3.4Å; D67-K86 IonicContact OD1-NZ 3.94Å; D67-K86 PolarHBondContact OD1-NZ 2.84Å; D67-K86 WeakPolarHBondContact OD2-CD 3.44Å; D67-K86 WeakPolarHBondContact OD2-CE 3.47Å; D67-K86 IonicContact OD2-NZ 3.72Å; D67-K86 PolarHBondContact OD2-NZ 3.49Å | ||
| 68 | V | 58.3 | Low | 64.9 | Low | 118 Ų | 118 | 98.2 Ų | 98.2 | 72% | 0.715 | 58% | 0.577 | S | S | * | * | trans | -28.8 | 99 | -174.1 | -177.4 | 0 | 0 | 0 | 0 | 112.9 | D66 I70 K86 | D66-V68 PolarHBondContact O-N 2.94Å; D66-V68 VanDerWaalsContact O-N 3.12Å; V68-I70 PolarHBondContact O-N 3.48Å; V68-K86 PolarHBondContact O-NZ 2.65Å | ||
| 69 | E | 78.6 | Confident | 67.8 | Low | 78 Ų | 78 | 95 Ų | 95 | 36% | 0.364 | 55% | 0.549 | S | S | . | . | trans | -80.7 | 93.8 | -170.4 | -168.4 | 171.5 | -144.9 | 0 | 0 | 110.6 | D67 G71 L84 K87 | D67-E69 PolarHBondContact O-N 3.34Å; E69-G71 PolarHBondContact O-N 2.91Å; E69-L84 HydrophobicContact CG-CB 4.21Å; E69-L84 HydrophobicContact CG-CD2 4.1Å; E69-K87 WeakPolarHBondContact OE1-CE 3.45Å; E69-K87 VanDerWaalsContact OE1-CG 3.24Å; E69-K87 WeakPolarHBondContact OE1-CG 3.43Å; E69-K87 IonicContact OE1-NZ 2.65Å | ||
| 70 | I | 86.4 | Confident | 70.8 | Confident | 99 Ų | 99 | 96 Ų | 96 | 51% | 0.508 | 55% | 0.551 | S | S | . | * | trans | -58 | 105.8 | -178.2 | -57.3 | 174.3 | 0 | 0 | 0 | 109.8 | V68 V85 | V68-I70 PolarHBondContact O-N 3.48Å; I70-V85 HydrophobicContact CG2-CB 4.47Å; I70-V85 HydrophobicContact CG2-CG2 4.21Å; I70-V85 WeakPolarHBondContact O-CG2 3.46Å; I70-V85 PolarHBondContact O-N 3.31Å | ||
| 71 | G | 91.3 | Very high | 73.4 | Confident | 36 Ų | 36 | 91.2 Ų | 91.2 | 37% | 0.371 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 125.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E69 V82 L83 | E69-G71 PolarHBondContact O-N 2.91Å; G71-V82 VanDerWaalsContact CA-CG1 3.48Å; G71-L83 CarbonylContact C-O 3.55Å; G71-L83 WeakPolarHBondContact CA-O 3.33Å |
| 72 | C | 93.6 | Very high | 76.3 | Confident | 30 Ų | 30 | 85.3 Ų | 85.3 | 20% | 0.203 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 130.2 | 176.3 | -61.5 | 0 | 0 | 0 | 0 | 110.9 | I74 L83 V85 M128 | C72-I74 PolarHBondContact O-N 2.9Å; C72-L83 PolarHBondContact N-O 2.84Å; C72-L83 PolarHBondContact O-N 3.27Å; C72-V85 WeakPolarHBondContact SG-CG2 3.14Å; C72-M128 HydrophobicContact CB-CE 3.4Å; C72-M128 HydrophobicContact CB-SD 3.83Å |
| 73 | P | 95.4 | Very high | 79 | Confident | 97 Ų | 97 | 76.3 Ų | 76.3 | 63% | 0.63 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69 | 127 | 179.2 | 27.7 | -33.9 | 0 | 0 | 0 | 111.5 | ||
| 74 | I | 96.6 | Very high | 81.9 | Confident | 2 Ų | 2 | 71.1 Ų | 71.1 | 1% | 0.01 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 157.4 | 178.8 | 60.9 | 161.4 | 0 | 0 | 0 | 111.9 | C72 A81 L83 V98 F110 I126 R127 M128 | C72-I74 PolarHBondContact O-N 2.9Å; I74-A81 HydrophobicContact CD1-CB 4.28Å; I74-A81 HydrophobicContact CG1-CB 3.95Å; I74-A81 WeakPolarHBondContact CG1-O 3.22Å; I74-A81 PolarHBondContact N-O 2.89Å; I74-A81 PolarHBondContact O-N 3.32Å; I74-A81 VanDerWaalsContact O-O 3.05Å; I74-L83 HydrophobicContact CD1-CB 4.11Å; I74-L83 HydrophobicContact CG1-CB 4.28Å; I74-L83 HydrophobicContact CG2-CB 3.83Å; I74-V98 HydrophobicContact CD1-CG1 3.99Å; I74-V98 HydrophobicContact CD1-CG2 3.94Å; I74-F110 HydrophobicContact CD1-CD1 4.02Å; I74-F110 HydrophobicContact CD1-CE1 3.76Å; I74-F110 HydrophobicContact CG1-CE1 4.24Å; I74-I126 HydrophobicContact CB-CG2 3.99Å; I74-I126 HydrophobicContact CD1-CG2 3.8Å; I74-I126 HydrophobicContact CG1-CG2 4.46Å; I74-I126 HydrophobicContact CG2-CG2 4.31Å; I74-R127 CarbonylContact C-O 3.57Å; I74-R127 WeakPolarHBondContact CA-O 3.34Å; I74-R127 VanDerWaalsContact CB-O 3.27Å; I74-R127 WeakPolarHBondContact CB-O 3.31Å; I74-M128 HydrophobicContact CG2-CB 4.09Å; I74-M128 HydrophobicContact CG2-CE 3.57Å; I74-M128 HydrophobicContact CG2-CG 4.24Å |
| 75 | T | 96.2 | Very high | 84.4 | Confident | 46 Ų | 46 | 63.6 Ų | 63.6 | 28% | 0.282 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 154.6 | 175.1 | 64.7 | 0 | 0 | 0 | 0 | 111.4 | C79 K80 I126 R127 | T75-C79 CarbonylContact C-O 3.58Å; T75-C79 VanDerWaalsContact CA-O 3.25Å; T75-C79 WeakPolarHBondContact CA-O 3.4Å; T75-K80 HydrophobicContact CG2-CG 4.12Å; T75-I126 WeakPolarHBondContact O-CA 3.35Å; T75-R127 PolarHBondContact N-O 3.45Å; T75-R127 PolarHBondContact O-N 2.8Å |
| 76 | C | 95.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 110.4 | 169.7 | -172.3 | 0 | 0 | 0 | 0 | 108.5 | D78 C79 F110 S114 A125 I126 | C76-D78 PolarHBondContact O-N 2.84Å; C76-D78 VanDerWaalsContact O-N 3.16Å; C76-C79 PolarHBondContact N-O 2.91Å; C76-C79 PolarHBondContact O-N 3.43Å; C76-F110 HydrophobicContact CB-CD1 4.03Å; C76-F110 HydrophobicContact CB-CE1 3.44Å; C76-F110 VanDerWaalsContact CB-CE1 3.44Å; C76-F110 HydrophobicContact CB-CZ 3.73Å; C76-S114 WeakPolarHBondContact CB-OG 3.27Å; C76-S114 VanDerWaalsContact O-CB 3.3Å; C76-S114 WeakPolarHBondContact O-CB 3.45Å; C76-S114 PolarHBondContact O-OG 2.95Å; C76-A125 PolarHBondContact SG-O 3.26Å; C76-I126 HydrophobicContact CB-CG1 4.43Å |
| 77 | G | 90.6 | Very high | 89.3 | Confident | 37 Ų | 37 | 59.8 Ų | 59.8 | 38% | 0.381 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | -122.5 | -160.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | K116 | G77-K116 VanDerWaalsContact CA-CE 3.41Š|
| 78 | D | 92.1 | Very high | 91.4 | Very high | 148 Ų | 148 | 54.7 Ų | 54.7 | 79% | 0.791 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -15.8 | -173.7 | -42.3 | -75 | 0 | 0 | 0 | 112.2 | C76 | C76-D78 PolarHBondContact O-N 2.84Å; C76-D78 VanDerWaalsContact O-N 3.16Å |
| 79 | C | 94.9 | Very high | 93.1 | Very high | 27 Ų | 27 | 51 Ų | 51 | 18% | 0.182 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 139.5 | 176.7 | -68.7 | 0 | 0 | 0 | 0 | 111.7 | T75 C76 Y100 F110 S114 | T75-C79 CarbonylContact C-O 3.58Å; T75-C79 VanDerWaalsContact CA-O 3.25Å; T75-C79 WeakPolarHBondContact CA-O 3.4Å; C76-C79 PolarHBondContact N-O 2.91Å; C76-C79 PolarHBondContact O-N 3.43Å; C79-Y100 HydrophobicContact CB-CE2 3.92Å; C79-F110 HydrophobicContact CB-CE2 3.89Å; C79-F110 HydrophobicContact CB-CZ 4.32Å; C79-S114 WeakPolarHBondContact CB-OG 3.27Å |
| 80 | K | 96 | Very high | 93.8 | Very high | 166 Ų | 166 | 47.7 Ų | 47.7 | 72% | 0.722 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 139.5 | 179.1 | -56 | -179.5 | -177.3 | 175.2 | 0 | 110.1 | T75 Y100 | T75-K80 HydrophobicContact CG2-CG 4.12Å; K80-Y100 WeakPolarHBondContact O-CD2 3.34Å; K80-Y100 WeakPolarHBondContact O-CE2 3.4Å |
| 81 | A | 96.4 | Very high | 94 | Very high | 10 Ų | 10 | 44.6 Ų | 44.6 | 8% | 0.083 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 175.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | I74 V98 K99 Y100 F110 | I74-A81 HydrophobicContact CD1-CB 4.28Å; I74-A81 HydrophobicContact CG1-CB 3.95Å; I74-A81 WeakPolarHBondContact CG1-O 3.22Å; I74-A81 PolarHBondContact N-O 2.89Å; I74-A81 PolarHBondContact O-N 3.32Å; I74-A81 VanDerWaalsContact O-O 3.05Å; A81-V98 HydrophobicContact CB-CG1 3.49Å; A81-V98 VanDerWaalsContact CB-CG1 3.49Å; A81-K99 WeakPolarHBondContact CA-O 3.23Å; A81-K99 WeakPolarHBondContact CB-O 3.27Å; A81-Y100 HydrophobicContact CB-CD2 3.99Å; A81-F110 HydrophobicContact CB-CD2 4.13Å; A81-F110 HydrophobicContact CB-CE1 4.12Å; A81-F110 HydrophobicContact CB-CE2 3.61Å; A81-F110 HydrophobicContact CB-CZ 3.6Å |
| 82 | V | 96.4 | Very high | 94 | Very high | 55 Ų | 55 | 42.9 Ų | 42.9 | 33% | 0.333 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 126.8 | 172.2 | -176.3 | 0 | 0 | 0 | 0 | 109.7 | G71 L84 V98 K99 | G71-V82 VanDerWaalsContact CA-CG1 3.48Å; V82-L84 HydrophobicContact CG1-CD2 4.1Å; V82-V98 CarbonylContact O-C 3.59Å; V82-V98 WeakPolarHBondContact O-CA 3.29Å; V82-K99 HydrophobicContact CB-CB 4.48Å; V82-K99 PolarHBondContact N-O 3.39Å; V82-K99 PolarHBondContact O-N 2.84Å |
| 83 | L | 95.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 116.6 | 172.4 | -176.2 | 72.2 | 0 | 0 | 0 | 109.4 | G71 C72 I74 V85 F88 C97 V98 M128 L133 L142 | G71-L83 CarbonylContact C-O 3.55Å; G71-L83 WeakPolarHBondContact CA-O 3.33Å; C72-L83 PolarHBondContact N-O 2.84Å; C72-L83 PolarHBondContact O-N 3.27Å; I74-L83 HydrophobicContact CD1-CB 4.11Å; I74-L83 HydrophobicContact CG1-CB 4.28Å; I74-L83 HydrophobicContact CG2-CB 3.83Å; L83-V85 PolarHBondContact O-N 2.97Å; L83-F88 HydrophobicContact CD1-CD2 3.84Å; L83-F88 HydrophobicContact CD1-CE2 4.34Å; L83-F88 HydrophobicContact CD1-CG 4.31Å; L83-F88 HydrophobicContact CD2-CD1 4.42Å; L83-F88 HydrophobicContact CD2-CD2 4.32Å; L83-F88 HydrophobicContact CD2-CG 4.26Å; L83-F88 HydrophobicContact CG-CD2 4.5Å; L83-C97 HydrophobicContact CD1-CB 4.49Å; L83-V98 HydrophobicContact CD1-CG2 3.82Å; L83-M128 HydrophobicContact CB-CE 4.42Å; L83-M128 HydrophobicContact CD2-CE 3.77Å; L83-L133 HydrophobicContact CD2-CD1 4.27Å; L83-L142 HydrophobicContact CD2-CD2 3.95Å |
| 84 | L | 95.3 | Very high | 93.8 | Very high | 13 Ų | 13 | 44.6 Ų | 44.6 | 7% | 0.068 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 103.3 | -178.9 | -52.3 | 173 | 0 | 0 | 0 | 108.5 | E69 V82 K86 K87 F88 C97 K99 L104 | E69-L84 HydrophobicContact CG-CB 4.21Å; E69-L84 HydrophobicContact CG-CD2 4.1Å; V82-L84 HydrophobicContact CG1-CD2 4.1Å; L84-K86 VanDerWaalsContact C-N 3.34Å; L84-K86 PolarHBondContact O-N 2.9Å; L84-K87 HydrophobicContact CB-CB 4.27Å; L84-K87 HydrophobicContact CB-CG 3.98Å; L84-K87 HydrophobicContact CD1-CG 4.49Å; L84-K87 PolarHBondContact O-N 3.31Å; L84-F88 PolarHBondContact O-N 3.01Å; L84-C97 PolarHBondContact N-O 3.49Å; L84-K99 HydrophobicContact CD1-CB 4.35Å; L84-L104 HydrophobicContact CD1-CD1 3.45Å; L84-L104 VanDerWaalsContact CD1-CD1 3.45Å |
| 85 | V | 92.2 | Very high | 93.7 | Very high | 33 Ų | 33 | 46.7 Ų | 46.7 | 20% | 0.2 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -61.1 | -43 | -166.5 | -179.2 | 0 | 0 | 0 | 0 | 111.2 | I70 C72 L83 K87 F88 L142 | I70-V85 HydrophobicContact CG2-CB 4.47Å; I70-V85 HydrophobicContact CG2-CG2 4.21Å; I70-V85 WeakPolarHBondContact O-CG2 3.46Å; I70-V85 PolarHBondContact O-N 3.31Å; C72-V85 WeakPolarHBondContact SG-CG2 3.14Å; L83-V85 PolarHBondContact O-N 2.97Å; V85-K87 PolarHBondContact O-N 2.95Å; V85-K87 VanDerWaalsContact O-N 3.15Å; V85-F88 WeakPolarHBondContact O-CB 3.39Å; V85-F88 PolarHBondContact O-N 3.41Å; V85-L142 HydrophobicContact CG2-CD1 4.37Å |
| 86 | K | 91.5 | Very high | 93.7 | Very high | 49 Ų | 49 | 50 Ų | 50 | 21% | 0.213 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -60 | -23.7 | 176.4 | -68.2 | 175.5 | 174.5 | 174.6 | 0 | 113.8 | D67 V68 L84 Y145 | D67-K86 PolarHBondContact O-NZ 3.4Å; D67-K86 IonicContact OD1-NZ 3.94Å; D67-K86 PolarHBondContact OD1-NZ 2.84Å; D67-K86 WeakPolarHBondContact OD2-CD 3.44Å; D67-K86 WeakPolarHBondContact OD2-CE 3.47Å; D67-K86 IonicContact OD2-NZ 3.72Å; D67-K86 PolarHBondContact OD2-NZ 3.49Å; V68-K86 PolarHBondContact O-NZ 2.65Å; L84-K86 VanDerWaalsContact C-N 3.34Å; L84-K86 PolarHBondContact O-N 2.9Å; K86-Y145 HydrophobicContact CG-CE2 4.47Å |
| 87 | K | 92.6 | Very high | 93.7 | Very high | 102 Ų | 102 | 50 Ų | 50 | 44% | 0.443 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -95.2 | -8.9 | 176.4 | -47.8 | -65.4 | 176.8 | 178.6 | 0 | 112.6 | E69 L84 V85 V89 V95 C97 | E69-K87 WeakPolarHBondContact OE1-CE 3.45Å; E69-K87 VanDerWaalsContact OE1-CG 3.24Å; E69-K87 WeakPolarHBondContact OE1-CG 3.43Å; E69-K87 IonicContact OE1-NZ 2.65Å; L84-K87 HydrophobicContact CB-CB 4.27Å; L84-K87 HydrophobicContact CB-CG 3.98Å; L84-K87 HydrophobicContact CD1-CG 4.49Å; L84-K87 PolarHBondContact O-N 3.31Å; V85-K87 PolarHBondContact O-N 2.95Å; V85-K87 VanDerWaalsContact O-N 3.15Å; K87-V89 VanDerWaalsContact C-N 3.26Å; K87-V89 PolarHBondContact O-N 3.16Å; K87-V95 WeakPolarHBondContact O-CG1 3.22Å; K87-C97 HydrophobicContact CB-CB 3.77Å; K87-C97 WeakPolarHBondContact O-CB 3.4Å |
| 88 | F | 94.3 | Very high | 94 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -80.4 | 65 | -175.4 | -174.5 | -121.2 | 0 | 0 | 0 | 112.1 | L83 L84 V85 C97 W122 L133 M137 L142 F144 Y145 | L83-F88 HydrophobicContact CD1-CD2 3.84Å; L83-F88 HydrophobicContact CD1-CE2 4.34Å; L83-F88 HydrophobicContact CD1-CG 4.31Å; L83-F88 HydrophobicContact CD2-CD1 4.42Å; L83-F88 HydrophobicContact CD2-CD2 4.32Å; L83-F88 HydrophobicContact CD2-CG 4.26Å; L83-F88 HydrophobicContact CG-CD2 4.5Å; L84-F88 PolarHBondContact O-N 3.01Å; V85-F88 WeakPolarHBondContact O-CB 3.39Å; V85-F88 PolarHBondContact O-N 3.41Å; F88-C97 HydrophobicContact CB-CB 4.47Å; F88-W122 AromaticContact CE2-CH2 3.85Å; F88-W122 HydrophobicContact CE2-CH2 3.85Å; F88-W122 HydrophobicContact CE2-CZ3 4.06Å; F88-W122 HydrophobicContact CZ-CH2 4.09Å; F88-W122 HydrophobicContact CZ-CZ3 4.42Å; F88-L133 HydrophobicContact CZ-CD2 4.4Å; F88-M137 HydrophobicContact CE1-CE 4Å; F88-M137 HydrophobicContact CZ-CE 4Å; F88-M137 HydrophobicContact CZ-SD 4.27Å; F88-L142 HydrophobicContact CE1-CD2 4.37Å; F88-L142 HydrophobicContact CE1-CG 4.48Å; F88-F144 AromaticContact CD1-CD1 3.86Å; F88-F144 HydrophobicContact CD1-CD1 3.86Å; F88-F144 HydrophobicContact CD2-CD1 4.3Å; F88-F144 AromaticContact CE1-CD1 3.59Å; F88-F144 HydrophobicContact CE1-CD1 3.59Å; F88-F144 AromaticContact CE1-CE1 3.98Å; F88-F144 HydrophobicContact CE1-CE1 3.98Å; F88-F144 HydrophobicContact CE1-CG 4.26Å; F88-F144 HydrophobicContact CE2-CD1 4.06Å; F88-F144 AromaticContact CE2-CE1 3.92Å; F88-F144 HydrophobicContact CE2-CE1 3.92Å; F88-F144 HydrophobicContact CG-CD1 4.21Å; F88-F144 AromaticContact CZ-CD1 3.7Å; F88-F144 HydrophobicContact CZ-CD1 3.7Å; F88-F144 AromaticContact CZ-CE1 3.61Å; F88-F144 HydrophobicContact CZ-CE1 3.61Å; F88-F144 CarbonylContact O-C 3.6Å; F88-F144 VanDerWaalsContact O-CA 3.27Å; F88-F144 WeakPolarHBondContact O-CA 3.31Å; F88-F144 WeakPolarHBondContact O-CB 3.42Å; F88-F144 WeakPolarHBondContact O-CD1 3.47Å; F88-Y145 PolarHBondContact O-N 2.79Å | ||
| 89 | V | 93.4 | Very high | 94.2 | Very high | 42 Ų | 42 | 45.3 Ų | 45.3 | 26% | 0.255 | 23% | 0.229 | S | C | . | . | trans | -84.6 | 146.2 | -179.5 | -176.1 | 0 | 0 | 0 | 0 | 111.4 | K87 G92 Y145 L150 | K87-V89 VanDerWaalsContact C-N 3.26Å; K87-V89 PolarHBondContact O-N 3.16Å; V89-G92 VanDerWaalsContact O-CA 3.25Å; V89-G92 WeakPolarHBondContact O-CA 3.26Å; V89-G92 PolarHBondContact O-N 3.22Å; V89-Y145 HydrophobicContact CG2-CD1 4.47Å; V89-L150 HydrophobicContact CG1-CB 4.06Å; V89-L150 HydrophobicContact CG1-CD1 3.86Å | ||
| 90 | C | 93.2 | Very high | 94.2 | Very high | 7 Ų | 7 | 45.6 Ų | 45.6 | 5% | 0.047 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 136.7 | 177.3 | 177.5 | 0 | 0 | 0 | 0 | 111.8 | F144 L150 T152 C155 | C90-F144 HydrophobicContact CB-CB 4.02Å; C90-F144 HydrophobicContact CB-CD1 4.24Å; C90-F144 HydrophobicContact CB-CD2 3.71Å; C90-F144 HydrophobicContact CB-CE2 4.09Å; C90-F144 HydrophobicContact CB-CG 3.75Å; C90-F144 HydrophobicContact CB-CZ 4.49Å; C90-L150 WeakPolarHBondContact CB-O 3.38Å; C90-T152 PolarHBondContact SG-N 3.07Å; C90-T152 VanDerWaalsContact SG-N 3.38Å; C90-T152 PolarHBondContact SG-OG1 2.81Å; C90-T152 VanDerWaalsContact SG-OG1 3.4Å; C90-C155 WeakPolarHBondContact SG-CB 3.42Å; C90-C155 PolarHBondContact SG-SG 2.58Å |
| 91 | P | 89.8 | Confident | 94 | Very high | 35 Ų | 35 | 44.9 Ų | 44.9 | 23% | 0.227 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -91.5 | 12.6 | 3.5 | 37.3 | -35 | 0 | 0 | 0 | 114.2 | I93 W122 F144 T152 C155 | P91-I93 HydrophobicContact CG-CG2 4.37Å; P91-I93 PolarHBondContact O-N 3.25Å; P91-W122 WeakPolarHBondContact O-CZ2 3.37Å; P91-F144 VanDerWaalsContact C-CE1 3.46Å; P91-T152 WeakPolarHBondContact CD-OG1 3.42Å; P91-C155 HydrophobicContact CB-CB 3.9Å |
| 92 | G | 91.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | 74.3 | -42 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | V89 N94 V95 P107 | V89-G92 VanDerWaalsContact O-CA 3.25Å; V89-G92 WeakPolarHBondContact O-CA 3.26Å; V89-G92 PolarHBondContact O-N 3.22Å; G92-N94 VanDerWaalsContact C-N 3.32Å; G92-N94 PolarHBondContact O-N 3.16Å; G92-V95 PolarHBondContact O-N 3.13Å; G92-P107 WeakPolarHBondContact O-CD 3.28Å | ||
| 93 | I | 92.5 | Very high | 93.5 | Very high | 56 Ų | 56 | 53.9 Ų | 53.9 | 29% | 0.287 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | -44.2 | -165.9 | -172.6 | 171.5 | 0 | 0 | 0 | 115.5 | P91 K108 W122 | P91-I93 HydrophobicContact CG-CG2 4.37Å; P91-I93 PolarHBondContact O-N 3.25Å; I93-K108 HydrophobicContact CG1-CB 4.02Å; I93-K108 HydrophobicContact CG1-CD 4.38Å; I93-K108 WeakPolarHBondContact O-CB 3.12Å; I93-K108 PolarHBondContact O-N 3.37Å; I93-K108 VanDerWaalsContact O-N 3.12Å; I93-W122 HydrophobicContact CB-CZ2 4.24Å; I93-W122 HydrophobicContact CG1-CG 4.27Å |
| 94 | N | 93.3 | Very high | 93.5 | Very high | 107 Ų | 107 | 56.8 Ų | 56.8 | 57% | 0.572 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.9 | 0.6 | 179.7 | -56.7 | -43.9 | 0 | 0 | 0 | 112.8 | G92 K108 | G92-N94 VanDerWaalsContact C-N 3.32Å; G92-N94 PolarHBondContact O-N 3.16Å; N94-K108 WeakPolarHBondContact OD1-CD 3.41Å |
| 95 | V | 94.5 | Very high | 93.5 | Very high | 46 Ų | 46 | 56.4 Ų | 56.4 | 28% | 0.279 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -76.5 | 135.9 | -178.7 | -177.1 | 0 | 0 | 0 | 0 | 108.7 | K87 G92 C97 S106 P107 | K87-V95 WeakPolarHBondContact O-CG1 3.22Å; G92-V95 PolarHBondContact O-N 3.13Å; V95-C97 PolarHBondContact O-N 3.49Å; V95-C97 VanDerWaalsContact O-N 3.17Å; V95-C97 PolarHBondContact O-SG 3.11Å; V95-C97 VanDerWaalsContact O-SG 3.42Å; V95-S106 VanDerWaalsContact O-CA 3.24Å; V95-S106 WeakPolarHBondContact O-CA 3.41Å; V95-S106 WeakPolarHBondContact O-CB 3.22Å; V95-P107 WeakPolarHBondContact O-CD 3.14Å |
| 96 | K | 95.9 | Very high | 93.7 | Very high | 114 Ų | 114 | 55.1 Ų | 55.1 | 50% | 0.496 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -77.7 | 97.3 | 176.5 | -83.4 | -168.8 | 168.4 | -143.5 | 0 | 110.2 | L104 I105 | K96-L104 HydrophobicContact CB-CD2 4.06Å; K96-L104 HydrophobicContact CB-CG 4.02Å; K96-L104 WeakPolarHBondContact CD-O 3.49Å; K96-L104 WeakPolarHBondContact CE-O 3.32Å; K96-L104 PolarHBondContact NZ-O 3.11Å; K96-I105 WeakPolarHBondContact CA-O 3.42Å |
| 97 | C | 95.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -144.1 | 3.6 | -174.4 | 59.4 | 0 | 0 | 0 | 0 | 114 | L83 L84 K87 F88 V95 I105 | L83-C97 HydrophobicContact CD1-CB 4.49Å; L84-C97 PolarHBondContact N-O 3.49Å; K87-C97 HydrophobicContact CB-CB 3.77Å; K87-C97 WeakPolarHBondContact O-CB 3.4Å; F88-C97 HydrophobicContact CB-CB 4.47Å; V95-C97 PolarHBondContact O-N 3.49Å; V95-C97 VanDerWaalsContact O-N 3.17Å; V95-C97 PolarHBondContact O-SG 3.11Å; V95-C97 VanDerWaalsContact O-SG 3.42Å; C97-I105 PolarHBondContact N-O 2.84Å; C97-I105 VanDerWaalsContact N-O 3.14Å | ||
| 98 | V | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 118.1 | 177.2 | 176.2 | 0 | 0 | 0 | 0 | 108.9 | I74 A81 V82 L83 I105 P107 F110 | I74-V98 HydrophobicContact CD1-CG1 3.99Å; I74-V98 HydrophobicContact CD1-CG2 3.94Å; A81-V98 HydrophobicContact CB-CG1 3.49Å; A81-V98 VanDerWaalsContact CB-CG1 3.49Å; V82-V98 CarbonylContact O-C 3.59Å; V82-V98 WeakPolarHBondContact O-CA 3.29Å; L83-V98 HydrophobicContact CD1-CG2 3.82Å; V98-I105 HydrophobicContact CB-CG1 4.18Å; V98-I105 HydrophobicContact CG1-CG1 4.25Å; V98-I105 PolarHBondContact N-O 2.92Å; V98-I105 WeakPolarHBondContact O-CG1 3.46Å; V98-I105 PolarHBondContact O-N 3.17Å; V98-P107 HydrophobicContact CG2-CG 4.08Å; V98-F110 HydrophobicContact CG1-CB 4.14Å; V98-F110 HydrophobicContact CG1-CD1 4.18Å; V98-F110 HydrophobicContact CG1-CD2 4.36Å; V98-F110 HydrophobicContact CG1-CG 3.98Å |
| 99 | K | 96.1 | Very high | 94.1 | Very high | 88 Ų | 88 | 57.8 Ų | 57.8 | 38% | 0.383 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 115.7 | 170.1 | -172.1 | -179.8 | 178.9 | -172.4 | 0 | 109 | A81 V82 L84 D102 Q103 | A81-K99 WeakPolarHBondContact CA-O 3.23Å; A81-K99 WeakPolarHBondContact CB-O 3.27Å; V82-K99 HydrophobicContact CB-CB 4.48Å; V82-K99 PolarHBondContact N-O 3.39Å; V82-K99 PolarHBondContact O-N 2.84Å; L84-K99 HydrophobicContact CD1-CB 4.35Å; K99-D102 WeakPolarHBondContact CE-OD1 3.21Å; K99-D102 IonicContact NZ-OD1 2.93Å; K99-D102 PolarHBondContact NZ-OD1 3.47Å; K99-Q103 WeakPolarHBondContact CA-O 3.43Å |
| 100 | Y | 95.8 | Very high | 94.2 | Very high | 33 Ų | 33 | 55.8 Ų | 55.8 | 13% | 0.129 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 125.9 | 179.4 | 178.8 | -94.6 | 0 | 0 | 0 | 109 | C79 K80 A81 D102 Q103 I105 F110 L113 | C79-Y100 HydrophobicContact CB-CE2 3.92Å; K80-Y100 WeakPolarHBondContact O-CD2 3.34Å; K80-Y100 WeakPolarHBondContact O-CE2 3.4Å; A81-Y100 HydrophobicContact CB-CD2 3.99Å; Y100-D102 PolarHBondContact O-N 3.11Å; Y100-Q103 PolarHBondContact N-O 3.47Å; Y100-Q103 PolarHBondContact O-N 2.84Å; Y100-I105 HydrophobicContact CD1-CD1 4.37Å; Y100-I105 HydrophobicContact CG-CD1 4.21Å; Y100-F110 AromaticContact CD2-CD2 3.87Å; Y100-F110 HydrophobicContact CD2-CD2 3.87Å; Y100-F110 AromaticContact CD2-CE2 3.57Å; Y100-F110 HydrophobicContact CD2-CE2 3.57Å; Y100-F110 HydrophobicContact CE2-CD2 4.43Å; Y100-F110 AromaticContact CE2-CE2 3.93Å; Y100-F110 HydrophobicContact CE2-CE2 3.93Å; Y100-F110 HydrophobicContact CG-CD2 4.21Å; Y100-F110 HydrophobicContact CG-CE2 4.36Å; Y100-L113 HydrophobicContact CD1-CD1 4.3Å; Y100-L113 HydrophobicContact CE1-CD1 4.5Å |
| 101 | E | 91.4 | Very high | 94.3 | Very high | 151 Ų | 151 | 55.8 Ų | 55.8 | 71% | 0.706 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.6 | 50.1 | -176.5 | -67.4 | 170.1 | -168.9 | 0 | 0 | 111.6 | Q103 | E101-Q103 PolarHBondContact O-N 3.36Š|
| 102 | D | 88.5 | Confident | 94.5 | Very high | 131 Ų | 131 | 60.4 Ų | 60.4 | 70% | 0.701 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 1 | -173 | -68.8 | -73.4 | 0 | 0 | 0 | 117.7 | K99 Y100 | K99-D102 WeakPolarHBondContact CE-OD1 3.21Å; K99-D102 IonicContact NZ-OD1 2.93Å; K99-D102 PolarHBondContact NZ-OD1 3.47Å; Y100-D102 PolarHBondContact O-N 3.11Å |
| 103 | Q | 94.1 | Very high | 94.6 | Very high | 123 Ų | 123 | 65.5 Ų | 65.5 | 58% | 0.575 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 134.6 | 173.8 | -164.9 | 176.5 | 122.1 | 0 | 0 | 112.4 | K99 Y100 E101 I105 | K99-Q103 WeakPolarHBondContact CA-O 3.43Å; Y100-Q103 PolarHBondContact N-O 3.47Å; Y100-Q103 PolarHBondContact O-N 2.84Å; E101-Q103 PolarHBondContact O-N 3.36Å; Q103-I105 HydrophobicContact CB-CG2 4.27Å; Q103-I105 HydrophobicContact CG-CG2 3.91Å; Q103-I105 PolarHBondContact O-N 2.95Å |
| 104 | L | 95.6 | Very high | 94.6 | Very high | 63 Ų | 63 | 63.3 Ų | 63.3 | 33% | 0.33 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 108.3 | 171 | -169.7 | 69.4 | 0 | 0 | 0 | 111.4 | L84 K96 | L84-L104 HydrophobicContact CD1-CD1 3.45Å; L84-L104 VanDerWaalsContact CD1-CD1 3.45Å; K96-L104 HydrophobicContact CB-CD2 4.06Å; K96-L104 HydrophobicContact CB-CG 4.02Å; K96-L104 WeakPolarHBondContact CD-O 3.49Å; K96-L104 WeakPolarHBondContact CE-O 3.32Å; K96-L104 PolarHBondContact NZ-O 3.11Å |
| 105 | I | 96.6 | Very high | 94.5 | Very high | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 169.5 | -176.5 | 64.4 | 172.2 | 0 | 0 | 0 | 112 | K96 C97 V98 Y100 Q103 Q109 F110 L113 | K96-I105 WeakPolarHBondContact CA-O 3.42Å; C97-I105 PolarHBondContact N-O 2.84Å; C97-I105 VanDerWaalsContact N-O 3.14Å; V98-I105 HydrophobicContact CB-CG1 4.18Å; V98-I105 HydrophobicContact CG1-CG1 4.25Å; V98-I105 PolarHBondContact N-O 2.92Å; V98-I105 WeakPolarHBondContact O-CG1 3.46Å; V98-I105 PolarHBondContact O-N 3.17Å; Y100-I105 HydrophobicContact CD1-CD1 4.37Å; Y100-I105 HydrophobicContact CG-CD1 4.21Å; Q103-I105 HydrophobicContact CB-CG2 4.27Å; Q103-I105 HydrophobicContact CG-CG2 3.91Å; Q103-I105 PolarHBondContact O-N 2.95Å; I105-Q109 HydrophobicContact CB-CB 4.25Å; I105-F110 HydrophobicContact CD1-CB 3.77Å; I105-F110 HydrophobicContact CD1-CD2 4.34Å; I105-F110 HydrophobicContact CG1-CB 4.42Å; I105-L113 HydrophobicContact CD1-CD1 3.8Å |
| 106 | S | 96.3 | Very high | 94.3 | Very high | 6 Ų | 6 | 62 Ų | 62 | 4% | 0.042 | 31% | 0.309 | C | S | . | . | trans | -88.1 | 154.7 | 174 | 62.8 | 0 | 0 | 0 | 0 | 113 | V95 K108 Q109 F110 | V95-S106 VanDerWaalsContact O-CA 3.24Å; V95-S106 WeakPolarHBondContact O-CA 3.41Å; V95-S106 WeakPolarHBondContact O-CB 3.22Å; S106-K108 PolarHBondContact O-N 3.33Å; S106-Q109 WeakPolarHBondContact O-CA 3.45Å; S106-Q109 WeakPolarHBondContact O-CB 3.39Å; S106-Q109 PolarHBondContact O-N 2.72Å; S106-Q109 WeakPolarHBondContact OG-CG 3.25Å; S106-Q109 PolarHBondContact OG-N 2.94Å; S106-Q109 PolarHBondContact OG-OE1 3.21Å; S106-F110 PolarHBondContact O-N 3.39Å | ||
| 107 | P | 95.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -51.6 | -38.6 | 173.7 | -29.4 | 35.8 | 0 | 0 | 0 | 113.6 | G92 V95 V98 F110 V111 W122 I126 | G92-P107 WeakPolarHBondContact O-CD 3.28Å; V95-P107 WeakPolarHBondContact O-CD 3.14Å; V98-P107 HydrophobicContact CG2-CG 4.08Å; P107-F110 PolarHBondContact O-N 3.24Å; P107-V111 VanDerWaalsContact O-CG2 3.3Å; P107-V111 WeakPolarHBondContact O-CG2 3.5Å; P107-V111 PolarHBondContact O-N 2.92Å; P107-W122 HydrophobicContact CB-CD2 4.17Å; P107-W122 HydrophobicContact CB-CE3 3.48Å; P107-W122 VanDerWaalsContact CB-CE3 3.48Å; P107-W122 HydrophobicContact CB-CZ3 3.73Å; P107-W122 HydrophobicContact CG-CE3 4.28Å; P107-W122 HydrophobicContact CG-CZ3 4.02Å; P107-I126 HydrophobicContact CB-CD1 3.81Å |
| 108 | K | 94.7 | Very high | 93.4 | Very high | 121 Ų | 121 | 65.1 Ų | 65.1 | 53% | 0.526 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.8 | -40 | 174.8 | -178.8 | -178.8 | 176.3 | -174 | 0 | 112.8 | I93 N94 S106 H112 | I93-K108 HydrophobicContact CG1-CB 4.02Å; I93-K108 HydrophobicContact CG1-CD 4.38Å; I93-K108 WeakPolarHBondContact O-CB 3.12Å; I93-K108 PolarHBondContact O-N 3.37Å; I93-K108 VanDerWaalsContact O-N 3.12Å; N94-K108 WeakPolarHBondContact OD1-CD 3.41Å; S106-K108 PolarHBondContact O-N 3.33Å; K108-H112 WeakPolarHBondContact O-CB 3.29Å; K108-H112 PolarHBondContact O-N 2.81Å |
| 109 | Q | 95.4 | Very high | 92.8 | Very high | 86 Ų | 86 | 69.1 Ų | 69.1 | 40% | 0.402 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -69.8 | -42.2 | 175.4 | -72.9 | 165.5 | -61.3 | 0 | 0 | 111.3 | I105 S106 V111 H112 L113 | I105-Q109 HydrophobicContact CB-CB 4.25Å; S106-Q109 WeakPolarHBondContact O-CA 3.45Å; S106-Q109 WeakPolarHBondContact O-CB 3.39Å; S106-Q109 PolarHBondContact O-N 2.72Å; S106-Q109 WeakPolarHBondContact OG-CG 3.25Å; S106-Q109 PolarHBondContact OG-N 2.94Å; S106-Q109 PolarHBondContact OG-OE1 3.21Å; Q109-V111 PolarHBondContact O-N 3.49Å; Q109-H112 WeakPolarHBondContact O-CA 3.44Å; Q109-H112 WeakPolarHBondContact O-CB 3.47Å; Q109-H112 PolarHBondContact O-N 2.82Å; Q109-L113 WeakPolarHBondContact O-CG 3.44Å; Q109-L113 PolarHBondContact O-N 3.41Å |
| 110 | F | 95.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -58.6 | -47.5 | 176.8 | 178.9 | -128.3 | 0 | 0 | 0 | 111.9 | I74 C76 C79 A81 V98 Y100 I105 S106 P107 H112 L113 S114 I126 | I74-F110 HydrophobicContact CD1-CD1 4.02Å; I74-F110 HydrophobicContact CD1-CE1 3.76Å; I74-F110 HydrophobicContact CG1-CE1 4.24Å; C76-F110 HydrophobicContact CB-CD1 4.03Å; C76-F110 HydrophobicContact CB-CE1 3.44Å; C76-F110 VanDerWaalsContact CB-CE1 3.44Å; C76-F110 HydrophobicContact CB-CZ 3.73Å; C79-F110 HydrophobicContact CB-CE2 3.89Å; C79-F110 HydrophobicContact CB-CZ 4.32Å; A81-F110 HydrophobicContact CB-CD2 4.13Å; A81-F110 HydrophobicContact CB-CE1 4.12Å; A81-F110 HydrophobicContact CB-CE2 3.61Å; A81-F110 HydrophobicContact CB-CZ 3.6Å; V98-F110 HydrophobicContact CG1-CB 4.14Å; V98-F110 HydrophobicContact CG1-CD1 4.18Å; V98-F110 HydrophobicContact CG1-CD2 4.36Å; V98-F110 HydrophobicContact CG1-CG 3.98Å; Y100-F110 AromaticContact CD2-CD2 3.87Å; Y100-F110 HydrophobicContact CD2-CD2 3.87Å; Y100-F110 AromaticContact CD2-CE2 3.57Å; Y100-F110 HydrophobicContact CD2-CE2 3.57Å; Y100-F110 HydrophobicContact CE2-CD2 4.43Å; Y100-F110 AromaticContact CE2-CE2 3.93Å; Y100-F110 HydrophobicContact CE2-CE2 3.93Å; Y100-F110 HydrophobicContact CG-CD2 4.21Å; Y100-F110 HydrophobicContact CG-CE2 4.36Å; I105-F110 HydrophobicContact CD1-CB 3.77Å; I105-F110 HydrophobicContact CD1-CD2 4.34Å; I105-F110 HydrophobicContact CG1-CB 4.42Å; S106-F110 PolarHBondContact O-N 3.39Å; P107-F110 PolarHBondContact O-N 3.24Å; F110-H112 PolarHBondContact O-N 2.88Å; F110-L113 PolarHBondContact O-N 2.98Å; F110-S114 VanDerWaalsContact O-CB 3.26Å; F110-S114 WeakPolarHBondContact O-CB 2.88Å; F110-S114 PolarHBondContact O-N 3.31Å; F110-S114 PolarHBondContact O-OG 3.49Å; F110-I126 HydrophobicContact CD1-CD1 3.9Å; F110-I126 HydrophobicContact CD1-CG1 4.02Å; F110-I126 HydrophobicContact CE1-CG1 4.29Å |
| 111 | V | 95.4 | Very high | 92.1 | Very high | 7 Ų | 7 | 76 Ų | 76 | 4% | 0.042 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.6 | -30.4 | 174.8 | 170.2 | 0 | 0 | 0 | 0 | 112.4 | P107 Q109 K116 A117 W122 A125 I126 | P107-V111 VanDerWaalsContact O-CG2 3.3Å; P107-V111 WeakPolarHBondContact O-CG2 3.5Å; P107-V111 PolarHBondContact O-N 2.92Å; Q109-V111 PolarHBondContact O-N 3.49Å; V111-K116 HydrophobicContact CG1-CB 4.11Å; V111-K116 CarbonylContact O-C 3.54Å; V111-K116 WeakPolarHBondContact O-CA 3.19Å; V111-K116 PolarHBondContact O-N 2.84Å; V111-A117 PolarHBondContact O-N 3.26Å; V111-W122 HydrophobicContact CG2-CB 4.1Å; V111-A125 HydrophobicContact CG1-CB 3.83Å; V111-A125 HydrophobicContact CG2-CB 3.81Å; V111-I126 HydrophobicContact CG2-CD1 4.01Å; V111-I126 HydrophobicContact CG2-CG1 3.64Å |
| 112 | H | 94.3 | Very high | 92.2 | Very high | 132 Ų | 132 | 70.1 Ų | 70.1 | 61% | 0.611 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -74.7 | -48.5 | 177.2 | -164.5 | 85.8 | 0 | 0 | 0 | 112.4 | K108 Q109 F110 S114 G115 A117 | K108-H112 WeakPolarHBondContact O-CB 3.29Å; K108-H112 PolarHBondContact O-N 2.81Å; Q109-H112 WeakPolarHBondContact O-CA 3.44Å; Q109-H112 WeakPolarHBondContact O-CB 3.47Å; Q109-H112 PolarHBondContact O-N 2.82Å; F110-H112 PolarHBondContact O-N 2.88Å; H112-S114 VanDerWaalsContact C-N 3.27Å; H112-S114 PolarHBondContact O-N 2.96Å; H112-G115 PolarHBondContact O-N 2.94Å; H112-G115 VanDerWaalsContact O-N 3.14Å; H112-A117 WeakPolarHBondContact ND1-CB 3.45Å |
| 113 | L | 93.3 | Very high | 92.4 | Very high | 107 Ų | 107 | 64.7 Ų | 64.7 | 56% | 0.56 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -59.5 | -38.6 | 174.6 | -66.9 | 171 | 0 | 0 | 0 | 111.5 | Y100 I105 Q109 F110 G115 | Y100-L113 HydrophobicContact CD1-CD1 4.3Å; Y100-L113 HydrophobicContact CE1-CD1 4.5Å; I105-L113 HydrophobicContact CD1-CD1 3.8Å; Q109-L113 WeakPolarHBondContact O-CG 3.44Å; Q109-L113 PolarHBondContact O-N 3.41Å; F110-L113 PolarHBondContact O-N 2.98Å; L113-G115 PolarHBondContact O-N 3.47Å |
| 114 | S | 93.1 | Very high | 92.3 | Very high | 10 Ų | 10 | 65.7 Ų | 65.7 | 7% | 0.07 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 7.4 | 177.2 | -53.8 | 0 | 0 | 0 | 0 | 114.8 | C76 C79 F110 H112 K116 | C76-S114 WeakPolarHBondContact CB-OG 3.27Å; C76-S114 VanDerWaalsContact O-CB 3.3Å; C76-S114 WeakPolarHBondContact O-CB 3.45Å; C76-S114 PolarHBondContact O-OG 2.95Å; C79-S114 WeakPolarHBondContact CB-OG 3.27Å; F110-S114 VanDerWaalsContact O-CB 3.26Å; F110-S114 WeakPolarHBondContact O-CB 2.88Å; F110-S114 PolarHBondContact O-N 3.31Å; F110-S114 PolarHBondContact O-OG 3.49Å; H112-S114 VanDerWaalsContact C-N 3.27Å; H112-S114 PolarHBondContact O-N 2.96Å; S114-K116 WeakPolarHBondContact O-CG 3.21Å; S114-K116 PolarHBondContact O-N 3.02Å |
| 115 | G | 91.4 | Very high | 92.3 | Very high | 57 Ų | 57 | 63 Ų | 63 | 59% | 0.588 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 9.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115 | H112 L113 | H112-G115 PolarHBondContact O-N 2.94Å; H112-G115 VanDerWaalsContact O-N 3.14Å; L113-G115 PolarHBondContact O-N 3.47Å |
| 116 | K | 89.9 | Confident | 92.2 | Very high | 70 Ų | 70 | 62.9 Ų | 62.9 | 30% | 0.304 | 32% | 0.322 | S | S | . | . | trans | -97.2 | 13.8 | -177.9 | -54.9 | -44.7 | 177.6 | -161.8 | 0 | 113.2 | G77 V111 S114 T118 L119 A125 | G77-K116 VanDerWaalsContact CA-CE 3.41Å; V111-K116 HydrophobicContact CG1-CB 4.11Å; V111-K116 CarbonylContact O-C 3.54Å; V111-K116 WeakPolarHBondContact O-CA 3.19Å; V111-K116 PolarHBondContact O-N 2.84Å; S114-K116 WeakPolarHBondContact O-CG 3.21Å; S114-K116 PolarHBondContact O-N 3.02Å; K116-T118 PolarHBondContact O-N 3.09Å; K116-L119 HydrophobicContact CB-CD1 4.39Å; K116-L119 WeakPolarHBondContact O-CB 3.43Å; K116-L119 PolarHBondContact O-N 2.79Å; K116-A125 HydrophobicContact CB-CB 4.38Å | ||
| 117 | A | 86.6 | Confident | 92.2 | Very high | 50 Ų | 50 | 67.7 Ų | 67.7 | 41% | 0.413 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -23.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | V111 H112 L119 | V111-A117 PolarHBondContact O-N 3.26Å; H112-A117 WeakPolarHBondContact ND1-CB 3.45Å; A117-L119 VanDerWaalsContact C-N 3.26Å; A117-L119 PolarHBondContact O-N 3.31Å |
| 118 | T | 84.7 | Confident | 92.2 | Very high | 128 Ų | 128 | 68.7 Ų | 68.7 | 79% | 0.785 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -25.2 | 175.8 | 52.1 | 0 | 0 | 0 | 0 | 112.8 | K116 K120 | K116-T118 PolarHBondContact O-N 3.09Å; T118-K120 PolarHBondContact O-N 2.76Å |
| 119 | L | 84.6 | Confident | 92 | Very high | 85 Ų | 85 | 66.8 Ų | 66.8 | 45% | 0.445 | 36% | 0.359 | S | S | . | . | trans | -77.4 | 103.4 | 171.3 | -69.4 | 169.2 | 0 | 0 | 0 | 109.6 | K116 A117 D121 A125 | K116-L119 HydrophobicContact CB-CD1 4.39Å; K116-L119 WeakPolarHBondContact O-CB 3.43Å; K116-L119 PolarHBondContact O-N 2.79Å; A117-L119 VanDerWaalsContact C-N 3.26Å; A117-L119 PolarHBondContact O-N 3.31Å; L119-D121 PolarHBondContact O-N 3.21Å; L119-A125 HydrophobicContact CB-CB 4.24Å; L119-A125 HydrophobicContact CD1-CB 3.97Å | ||
| 120 | K | 86.4 | Confident | 91.8 | Very high | 215 Ų | 215 | 64.7 Ų | 64.7 | 94% | 0.935 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -63.2 | -5.6 | 175.7 | -62.2 | -178.2 | -180 | 178.8 | 0 | 114.3 | T118 | T118-K120 PolarHBondContact O-N 2.76Š|
| 121 | D | 90.3 | Very high | 91.7 | Very high | 50 Ų | 50 | 67.4 Ų | 67.4 | 27% | 0.267 | 38% | 0.377 | S | S | . | . | trans | -115.3 | 98.5 | 177.1 | -174.7 | -18 | 0 | 0 | 0 | 110.4 | L119 K123 R124 A125 | L119-D121 PolarHBondContact O-N 3.21Å; D121-K123 VanDerWaalsContact C-N 3.27Å; D121-K123 PolarHBondContact O-N 3.24Å; D121-K123 WeakPolarHBondContact OD1-CA 3.37Å; D121-K123 WeakPolarHBondContact OD1-CB 3.49Å; D121-K123 PolarHBondContact OD1-N 2.79Å; D121-R124 HydrophobicContact CB-CB 4.25Å; D121-R124 HydrophobicContact CB-CG 4.39Å; D121-R124 PolarHBondContact O-N 2.86Å; D121-R124 PolarHBondContact OD1-N 3.11Å; D121-R124 VanDerWaalsContact OD1-N 3.14Å; D121-R124 WeakPolarHBondContact OD2-CD 3.01Å; D121-R124 VanDerWaalsContact OD2-CG 3.25Å; D121-R124 WeakPolarHBondContact OD2-CG 3.46Å; D121-A125 PolarHBondContact O-N 2.78Å; D121-A125 VanDerWaalsContact O-N 3.09Å | ||
| 122 | W | 92.8 | Very high | 91.7 | Very high | 28 Ų | 28 | 70.3 Ų | 70.3 | 11% | 0.106 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.3 | -27.6 | 178.8 | 66.4 | -86.8 | 0 | 0 | 0 | 112.9 | F88 P91 I93 P107 V111 R124 A125 I126 L133 F144 | F88-W122 AromaticContact CE2-CH2 3.85Å; F88-W122 HydrophobicContact CE2-CH2 3.85Å; F88-W122 HydrophobicContact CE2-CZ3 4.06Å; F88-W122 HydrophobicContact CZ-CH2 4.09Å; F88-W122 HydrophobicContact CZ-CZ3 4.42Å; P91-W122 WeakPolarHBondContact O-CZ2 3.37Å; I93-W122 HydrophobicContact CB-CZ2 4.24Å; I93-W122 HydrophobicContact CG1-CG 4.27Å; P107-W122 HydrophobicContact CB-CD2 4.17Å; P107-W122 HydrophobicContact CB-CE3 3.48Å; P107-W122 VanDerWaalsContact CB-CE3 3.48Å; P107-W122 HydrophobicContact CB-CZ3 3.73Å; P107-W122 HydrophobicContact CG-CE3 4.28Å; P107-W122 HydrophobicContact CG-CZ3 4.02Å; V111-W122 HydrophobicContact CG2-CB 4.1Å; W122-R124 VanDerWaalsContact C-N 3.29Å; W122-R124 PolarHBondContact O-N 3.37Å; W122-A125 PolarHBondContact O-N 3.1Å; W122-I126 HydrophobicContact CE3-CD1 4.16Å; W122-I126 WeakPolarHBondContact O-CG1 3.27Å; W122-I126 PolarHBondContact O-N 3.13Å; W122-L133 HydrophobicContact CE3-CD2 4.31Å; W122-L133 HydrophobicContact CZ3-CD2 3.72Å; W122-F144 HydrophobicContact CH2-CE1 4.45Å |
| 123 | K | 93.3 | Very high | 91.6 | Very high | 17 Ų | 17 | 64 Ų | 64 | 7% | 0.074 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -73.5 | -21.9 | 178 | -59.9 | -176.2 | 167.3 | -169.8 | 0 | 112.1 | D121 L133 R134 M137 C155 | D121-K123 VanDerWaalsContact C-N 3.27Å; D121-K123 PolarHBondContact O-N 3.24Å; D121-K123 WeakPolarHBondContact OD1-CA 3.37Å; D121-K123 WeakPolarHBondContact OD1-CB 3.49Å; D121-K123 PolarHBondContact OD1-N 2.79Å; K123-L133 WeakPolarHBondContact O-CB 3.45Å; K123-L133 PolarHBondContact O-N 2.99Å; K123-R134 HydrophobicContact CB-CB 3.83Å; K123-R134 PolarHBondContact O-N 2.97Å; K123-M137 HydrophobicContact CD-SD 3.73Å; K123-M137 WeakPolarHBondContact CE-SD 3.41Å; K123-M137 HydrophobicContact CG-SD 4.33Å; K123-M137 PolarHBondContact NZ-SD 2.9Å; K123-C155 PolarHBondContact NZ-O 2.98Å |
| 124 | R | 93.1 | Very high | 91.6 | Very high | 144 Ų | 144 | 60.8 Ų | 60.8 | 54% | 0.543 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -92.1 | -25.9 | 171.8 | -68.4 | 177.9 | 69.8 | -152.8 | 1.7 | 113.1 | D121 W122 R134 | D121-R124 HydrophobicContact CB-CB 4.25Å; D121-R124 HydrophobicContact CB-CG 4.39Å; D121-R124 PolarHBondContact O-N 2.86Å; D121-R124 PolarHBondContact OD1-N 3.11Å; D121-R124 VanDerWaalsContact OD1-N 3.14Å; D121-R124 WeakPolarHBondContact OD2-CD 3.01Å; D121-R124 VanDerWaalsContact OD2-CG 3.25Å; D121-R124 WeakPolarHBondContact OD2-CG 3.46Å; W122-R124 VanDerWaalsContact C-N 3.29Å; W122-R124 PolarHBondContact O-N 3.37Å; R124-R134 HydrophobicContact CG-CB 4.26Å |
| 125 | A | 94.4 | Very high | 91.6 | Very high | 6 Ų | 6 | 66.9 Ų | 66.9 | 5% | 0.05 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -73.8 | -38.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | C76 V111 K116 L119 D121 W122 | C76-A125 PolarHBondContact SG-O 3.26Å; V111-A125 HydrophobicContact CG1-CB 3.83Å; V111-A125 HydrophobicContact CG2-CB 3.81Å; K116-A125 HydrophobicContact CB-CB 4.38Å; L119-A125 HydrophobicContact CB-CB 4.24Å; L119-A125 HydrophobicContact CD1-CB 3.97Å; D121-A125 PolarHBondContact O-N 2.78Å; D121-A125 VanDerWaalsContact O-N 3.09Å; W122-A125 PolarHBondContact O-N 3.1Å |
| 126 | I | 95.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 142.4 | 175.7 | -60.3 | 177.5 | 0 | 0 | 0 | 110.6 | I74 T75 C76 P107 F110 V111 W122 L133 | I74-I126 HydrophobicContact CB-CG2 3.99Å; I74-I126 HydrophobicContact CD1-CG2 3.8Å; I74-I126 HydrophobicContact CG1-CG2 4.46Å; I74-I126 HydrophobicContact CG2-CG2 4.31Å; T75-I126 WeakPolarHBondContact O-CA 3.35Å; C76-I126 HydrophobicContact CB-CG1 4.43Å; P107-I126 HydrophobicContact CB-CD1 3.81Å; F110-I126 HydrophobicContact CD1-CD1 3.9Å; F110-I126 HydrophobicContact CD1-CG1 4.02Å; F110-I126 HydrophobicContact CE1-CG1 4.29Å; V111-I126 HydrophobicContact CG2-CD1 4.01Å; V111-I126 HydrophobicContact CG2-CG1 3.64Å; W122-I126 HydrophobicContact CE3-CD1 4.16Å; W122-I126 WeakPolarHBondContact O-CG1 3.27Å; W122-I126 PolarHBondContact O-N 3.13Å; I126-L133 HydrophobicContact CB-CB 4.23Å; I126-L133 HydrophobicContact CB-CD2 4.26Å; I126-L133 HydrophobicContact CG2-CB 4.22Å; I126-L133 HydrophobicContact CG2-CD1 4.44Å; I126-L133 HydrophobicContact CG2-CD2 4.12Å; I126-L133 WeakPolarHBondContact O-CB 3.47Å; I126-L133 PolarHBondContact O-N 3.5Å |
| 127 | R | 95.5 | Very high | 91.8 | Very high | 107 Ų | 107 | 62.8 Ų | 62.8 | 40% | 0.404 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 152.7 | 174.6 | -68.8 | 171.2 | 179.8 | -90.7 | -0.3 | 111.1 | I74 T75 G130 V131 | I74-R127 CarbonylContact C-O 3.57Å; I74-R127 WeakPolarHBondContact CA-O 3.34Å; I74-R127 VanDerWaalsContact CB-O 3.27Å; I74-R127 WeakPolarHBondContact CB-O 3.31Å; T75-R127 PolarHBondContact N-O 3.45Å; T75-R127 PolarHBondContact O-N 2.8Å; R127-G130 WeakPolarHBondContact CD-O 3.26Å; R127-G130 PolarHBondContact NH1-O 2.89Å; R127-V131 CarbonylContact C-O 3.44Å; R127-V131 WeakPolarHBondContact CA-O 3.32Å; R127-V131 WeakPolarHBondContact CB-O 3.24Å |
| 128 | M | 95 | Very high | 91.9 | Very high | 21 Ų | 21 | 64.6 Ų | 64.6 | 10% | 0.103 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 123.5 | 173.4 | -174.3 | 176.8 | -72.4 | 0 | 0 | 107 | C72 I74 L83 G130 V131 L133 M136 L142 | C72-M128 HydrophobicContact CB-CE 3.4Å; C72-M128 HydrophobicContact CB-SD 3.83Å; I74-M128 HydrophobicContact CG2-CB 4.09Å; I74-M128 HydrophobicContact CG2-CE 3.57Å; I74-M128 HydrophobicContact CG2-CG 4.24Å; L83-M128 HydrophobicContact CB-CE 4.42Å; L83-M128 HydrophobicContact CD2-CE 3.77Å; M128-G130 PolarHBondContact O-N 2.91Å; M128-G130 VanDerWaalsContact O-N 3.11Å; M128-V131 PolarHBondContact N-O 3.46Å; M128-V131 WeakPolarHBondContact O-CB 3.25Å; M128-V131 PolarHBondContact O-N 2.88Å; M128-L133 HydrophobicContact CB-CD1 4.48Å; M128-L133 HydrophobicContact CE-CD1 4.02Å; M128-M136 HydrophobicContact CB-CG 4.47Å; M128-M136 HydrophobicContact SD-CE 4.45Å; M128-L142 HydrophobicContact CE-CD1 4.31Å; M128-L142 HydrophobicContact CE-CD2 3.6Å; M128-L142 HydrophobicContact SD-CD2 4.2Å |
| 129 | G | 91.1 | Very high | 92.2 | Very high | 81 Ų | 81 | 61.4 Ų | 61.4 | 84% | 0.835 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 28.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114 | V131 | G129-V131 PolarHBondContact O-N 2.79Š|
| 130 | G | 91.7 | Very high | 92.2 | Very high | 42 Ų | 42 | 59.7 Ų | 59.7 | 43% | 0.433 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | -19.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | R127 M128 | R127-G130 WeakPolarHBondContact CD-O 3.26Å; R127-G130 PolarHBondContact NH1-O 2.89Å; M128-G130 PolarHBondContact O-N 2.91Å; M128-G130 VanDerWaalsContact O-N 3.11Å |
| 131 | V | 94.3 | Very high | 92.3 | Very high | 58 Ų | 58 | 56.3 Ų | 56.3 | 35% | 0.352 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 139.5 | 174.8 | -176.2 | 0 | 0 | 0 | 0 | 109.9 | R127 M128 G129 L133 K135 M136 | R127-V131 CarbonylContact C-O 3.44Å; R127-V131 WeakPolarHBondContact CA-O 3.32Å; R127-V131 WeakPolarHBondContact CB-O 3.24Å; M128-V131 PolarHBondContact N-O 3.46Å; M128-V131 WeakPolarHBondContact O-CB 3.25Å; M128-V131 PolarHBondContact O-N 2.88Å; G129-V131 PolarHBondContact O-N 2.79Å; V131-L133 PolarHBondContact O-N 3.39Å; V131-K135 HydrophobicContact CG1-CB 4.02Å; V131-K135 HydrophobicContact CG1-CD 4.15Å; V131-K135 HydrophobicContact CG1-CG 4.26Å; V131-M136 HydrophobicContact CB-CG 4.43Å; V131-M136 HydrophobicContact CB-SD 4.08Å; V131-M136 HydrophobicContact CG1-CG 4.13Å; V131-M136 HydrophobicContact CG1-SD 3.87Å |
| 132 | M | 94.1 | Very high | 92.4 | Very high | 67 Ų | 67 | 54.5 Ų | 54.5 | 33% | 0.33 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 134.4 | 176 | -68.2 | 178.6 | -69.7 | 0 | 0 | 110.7 | R134 K135 M136 | M132-R134 PolarHBondContact O-N 3.41Å; M132-R134 VanDerWaalsContact O-N 3.15Å; M132-K135 PolarHBondContact O-N 3.43Å; M132-M136 PolarHBondContact O-N 2.99Å |
| 133 | L | 94 | Very high | 92.3 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -54.3 | -39.5 | -179.5 | -165.7 | 75.2 | 0 | 0 | 0 | 111.2 | L83 F88 W122 K123 I126 M128 V131 K135 M136 M137 L142 | L83-L133 HydrophobicContact CD2-CD1 4.27Å; F88-L133 HydrophobicContact CZ-CD2 4.4Å; W122-L133 HydrophobicContact CE3-CD2 4.31Å; W122-L133 HydrophobicContact CZ3-CD2 3.72Å; K123-L133 WeakPolarHBondContact O-CB 3.45Å; K123-L133 PolarHBondContact O-N 2.99Å; I126-L133 HydrophobicContact CB-CB 4.23Å; I126-L133 HydrophobicContact CB-CD2 4.26Å; I126-L133 HydrophobicContact CG2-CB 4.22Å; I126-L133 HydrophobicContact CG2-CD1 4.44Å; I126-L133 HydrophobicContact CG2-CD2 4.12Å; I126-L133 WeakPolarHBondContact O-CB 3.47Å; I126-L133 PolarHBondContact O-N 3.5Å; M128-L133 HydrophobicContact CB-CD1 4.48Å; M128-L133 HydrophobicContact CE-CD1 4.02Å; V131-L133 PolarHBondContact O-N 3.39Å; L133-K135 VanDerWaalsContact C-N 3.31Å; L133-K135 PolarHBondContact O-N 2.87Å; L133-M136 WeakPolarHBondContact O-CB 3.36Å; L133-M136 PolarHBondContact O-N 2.83Å; L133-M136 VanDerWaalsContact O-N 3.13Å; L133-M137 WeakPolarHBondContact O-CG 3.33Å; L133-M137 PolarHBondContact O-N 3.01Å; L133-L142 HydrophobicContact CD1-CD2 3.45Å; L133-L142 VanDerWaalsContact CD1-CD2 3.45Å; L133-L142 HydrophobicContact CG-CD2 4.35Å |
| 134 | R | 92.5 | Very high | 92.3 | Very high | 39 Ų | 39 | 54.8 Ų | 54.8 | 15% | 0.147 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -52.6 | -43.9 | 173.7 | -177.4 | 62.2 | -159.1 | -119.8 | 14.3 | 113 | K123 R124 M132 M137 D138 S157 D161 | K123-R134 HydrophobicContact CB-CB 3.83Å; K123-R134 PolarHBondContact O-N 2.97Å; R124-R134 HydrophobicContact CG-CB 4.26Å; M132-R134 PolarHBondContact O-N 3.41Å; M132-R134 VanDerWaalsContact O-N 3.15Å; R134-M137 PolarHBondContact O-N 2.83Å; R134-D138 WeakPolarHBondContact CG-OD2 3.48Å; R134-D138 IonicContact CZ-OD1 3.83Å; R134-D138 IonicContact CZ-OD2 2.67Å; R134-D138 IonicContact NE-OD1 3.55Å; R134-D138 PolarHBondContact NE-OD1 3.31Å; R134-D138 IonicContact NE-OD2 3.86Å; R134-D138 PolarHBondContact NE-OD2 2.76Å; R134-D138 IonicContact NH2-OD1 3.59Å; R134-D138 PolarHBondContact NH2-OD1 3.32Å; R134-D138 IonicContact NH2-OD2 3.01Å; R134-D138 VanDerWaalsContact O-CG 3.25Å; R134-D138 PolarHBondContact O-N 3.41Å; R134-S157 PolarHBondContact NH1-OG 3.09Å; R134-D161 IonicContact CZ-OD2 2.76Å; R134-D161 IonicContact NH1-OD2 2.7Å; R134-D161 IonicContact NH2-OD1 3.46Å; R134-D161 PolarHBondContact NH2-OD1 2.87Å; R134-D161 IonicContact NH2-OD2 3.44Å; R134-D161 PolarHBondContact NH2-OD2 3.02Å; R134-D161 VanDerWaalsContact NH2-OD2 3.07Å |
| 135 | K | 92.3 | Very high | 92.3 | Very high | 137 Ų | 137 | 52.5 Ų | 52.5 | 60% | 0.596 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -68.9 | -36 | 179.7 | -175.2 | 175.6 | 178.1 | -177.4 | 0 | 111.9 | V131 M132 L133 M137 D138 S139 | V131-K135 HydrophobicContact CG1-CB 4.02Å; V131-K135 HydrophobicContact CG1-CD 4.15Å; V131-K135 HydrophobicContact CG1-CG 4.26Å; M132-K135 PolarHBondContact O-N 3.43Å; L133-K135 VanDerWaalsContact C-N 3.31Å; L133-K135 PolarHBondContact O-N 2.87Å; K135-M137 VanDerWaalsContact C-N 3.29Å; K135-M137 PolarHBondContact O-N 3.39Å; K135-D138 PolarHBondContact O-N 3.17Å; K135-S139 WeakPolarHBondContact O-CB 3.27Å; K135-S139 PolarHBondContact O-N 3.2Å; K135-S139 PolarHBondContact O-OG 3.41Å |
| 136 | M | 93.2 | Very high | 92.1 | Very high | 26 Ų | 26 | 56.8 Ų | 56.8 | 13% | 0.128 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.8 | -34.9 | 173.3 | -60.7 | -62.9 | -66.8 | 0 | 0 | 112.2 | M128 V131 M132 L133 S139 G140 Q141 L142 | M128-M136 HydrophobicContact CB-CG 4.47Å; M128-M136 HydrophobicContact SD-CE 4.45Å; V131-M136 HydrophobicContact CB-CG 4.43Å; V131-M136 HydrophobicContact CB-SD 4.08Å; V131-M136 HydrophobicContact CG1-CG 4.13Å; V131-M136 HydrophobicContact CG1-SD 3.87Å; M132-M136 PolarHBondContact O-N 2.99Å; L133-M136 WeakPolarHBondContact O-CB 3.36Å; L133-M136 PolarHBondContact O-N 2.83Å; L133-M136 VanDerWaalsContact O-N 3.13Å; M136-S139 PolarHBondContact O-OG 3.15Å; M136-G140 PolarHBondContact O-N 3.49Å; M136-Q141 HydrophobicContact CE-CB 3.76Å; M136-Q141 PolarHBondContact O-N 3.29Å; M136-Q141 VanDerWaalsContact O-N 3.13Å; M136-L142 HydrophobicContact CB-CB 3.99Å; M136-L142 PolarHBondContact O-N 2.88Å |
| 137 | M | 92.3 | Very high | 91.9 | Very high | 16 Ų | 16 | 57.7 Ų | 57.7 | 8% | 0.079 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -74.8 | -44.1 | 175.8 | -59.1 | -175.8 | 83.6 | 0 | 0 | 112.5 | F88 K123 L133 R134 K135 S139 G140 L142 F144 | F88-M137 HydrophobicContact CE1-CE 4Å; F88-M137 HydrophobicContact CZ-CE 4Å; F88-M137 HydrophobicContact CZ-SD 4.27Å; K123-M137 HydrophobicContact CD-SD 3.73Å; K123-M137 WeakPolarHBondContact CE-SD 3.41Å; K123-M137 HydrophobicContact CG-SD 4.33Å; K123-M137 PolarHBondContact NZ-SD 2.9Å; L133-M137 WeakPolarHBondContact O-CG 3.33Å; L133-M137 PolarHBondContact O-N 3.01Å; R134-M137 PolarHBondContact O-N 2.83Å; K135-M137 VanDerWaalsContact C-N 3.29Å; K135-M137 PolarHBondContact O-N 3.39Å; M137-S139 VanDerWaalsContact C-N 3.27Å; M137-S139 PolarHBondContact O-N 2.81Å; M137-G140 PolarHBondContact O-N 2.83Å; M137-L142 VanDerWaalsContact CA-O 3.26Å; M137-L142 WeakPolarHBondContact CA-O 3.32Å; M137-L142 VanDerWaalsContact CG-O 3.31Å; M137-L142 WeakPolarHBondContact CG-O 3.33Å; M137-F144 HydrophobicContact CE-CD1 4.22Å; M137-F144 HydrophobicContact CE-CD2 3.79Å; M137-F144 HydrophobicContact CE-CE1 3.88Å; M137-F144 HydrophobicContact CE-CE2 3.41Å; M137-F144 VanDerWaalsContact CE-CE2 3.41Å; M137-F144 HydrophobicContact CE-CG 4.2Å; M137-F144 HydrophobicContact CE-CZ 3.5Å |
| 138 | D | 89.7 | Confident | 91.4 | Very high | 87 Ų | 87 | 57.7 Ų | 57.7 | 47% | 0.465 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68.8 | -26.3 | 179.4 | -63.6 | -34.8 | 0 | 0 | 0 | 112 | R134 K135 | R134-D138 WeakPolarHBondContact CG-OD2 3.48Å; R134-D138 IonicContact CZ-OD1 3.83Å; R134-D138 IonicContact CZ-OD2 2.67Å; R134-D138 IonicContact NE-OD1 3.55Å; R134-D138 PolarHBondContact NE-OD1 3.31Å; R134-D138 IonicContact NE-OD2 3.86Å; R134-D138 PolarHBondContact NE-OD2 2.76Å; R134-D138 IonicContact NH2-OD1 3.59Å; R134-D138 PolarHBondContact NH2-OD1 3.32Å; R134-D138 IonicContact NH2-OD2 3.01Å; R134-D138 VanDerWaalsContact O-CG 3.25Å; R134-D138 PolarHBondContact O-N 3.41Å; K135-D138 PolarHBondContact O-N 3.17Å |
| 139 | S | 89.6 | Confident | 91.1 | Very high | 61 Ų | 61 | 61.8 Ų | 61.8 | 43% | 0.427 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -3 | 173.2 | 69.1 | 0 | 0 | 0 | 0 | 114.8 | K135 M136 M137 Q141 | K135-S139 WeakPolarHBondContact O-CB 3.27Å; K135-S139 PolarHBondContact O-N 3.2Å; K135-S139 PolarHBondContact O-OG 3.41Å; M136-S139 PolarHBondContact O-OG 3.15Å; M137-S139 VanDerWaalsContact C-N 3.27Å; M137-S139 PolarHBondContact O-N 2.81Å; S139-Q141 PolarHBondContact O-N 2.97Å |
| 140 | G | 86.4 | Confident | 90.9 | Very high | 49 Ų | 49 | 61.3 Ų | 61.3 | 51% | 0.505 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | -4.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | M136 M137 L142 | M136-G140 PolarHBondContact O-N 3.49Å; M137-G140 PolarHBondContact O-N 2.83Å; G140-L142 PolarHBondContact O-N 3.12Å |
| 141 | Q | 87.9 | Confident | 90.8 | Very high | 144 Ų | 144 | 61.5 Ų | 61.5 | 67% | 0.673 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -66.1 | -20.3 | 178.2 | -68 | 178.2 | 5.2 | 0 | 0 | 113.3 | M136 S139 | M136-Q141 HydrophobicContact CE-CB 3.76Å; M136-Q141 PolarHBondContact O-N 3.29Å; M136-Q141 VanDerWaalsContact O-N 3.13Å; S139-Q141 PolarHBondContact O-N 2.97Å |
| 142 | L | 91.2 | Very high | 90.5 | Very high | 13 Ų | 13 | 61.8 Ų | 61.8 | 7% | 0.068 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -147.9 | 96.3 | 172 | -179.6 | 81.7 | 0 | 0 | 0 | 109.9 | L83 V85 F88 M128 L133 M136 M137 G140 | L83-L142 HydrophobicContact CD2-CD2 3.95Å; V85-L142 HydrophobicContact CG2-CD1 4.37Å; F88-L142 HydrophobicContact CE1-CD2 4.37Å; F88-L142 HydrophobicContact CE1-CG 4.48Å; M128-L142 HydrophobicContact CE-CD1 4.31Å; M128-L142 HydrophobicContact CE-CD2 3.6Å; M128-L142 HydrophobicContact SD-CD2 4.2Å; L133-L142 HydrophobicContact CD1-CD2 3.45Å; L133-L142 VanDerWaalsContact CD1-CD2 3.45Å; L133-L142 HydrophobicContact CG-CD2 4.35Å; M136-L142 HydrophobicContact CB-CB 3.99Å; M136-L142 PolarHBondContact O-N 2.88Å; M137-L142 VanDerWaalsContact CA-O 3.26Å; M137-L142 WeakPolarHBondContact CA-O 3.32Å; M137-L142 VanDerWaalsContact CG-O 3.31Å; M137-L142 WeakPolarHBondContact CG-O 3.33Å; G140-L142 PolarHBondContact O-N 3.12Å |
| 143 | D | 91.8 | Very high | 90 | Very high | 42 Ų | 42 | 65 Ų | 65 | 23% | 0.225 | 36% | 0.356 | C | S | . | . | trans | -94.3 | 174.3 | 167.4 | -148.1 | -15.1 | 0 | 0 | 0 | 111.3 | H147 R168 | D143-H147 IonicContact OD1-CE1 2.85Å; D143-H147 PolarHBondContact OD1-CE1 2.87Å; D143-H147 IonicContact OD1-CG 2.75Å; D143-H147 IonicContact OD1-ND1 3.95Å; D143-H147 PolarHBondContact OD1-ND1 2.67Å; D143-H147 IonicContact OD2-CG 2.67Å; D143-H147 IonicContact OD2-ND1 3.31Å; D143-H147 PolarHBondContact OD2-ND1 3.46Å; D143-R168 IonicContact OD2-CZ 3.93Å; D143-R168 IonicContact OD2-NH1 3.07Å; D143-R168 PolarHBondContact OD2-NH1 3.07Å; D143-R168 IonicContact OD2-NH2 2.79Å; D143-R168 PolarHBondContact OD2-NH2 3.37Å | ||
| 144 | F | 93.2 | Very high | 89.7 | Confident | 8 Ų | 8 | 70 Ų | 70 | 4% | 0.035 | 39% | 0.387 | C | S | . | . | trans | -66.4 | 149.8 | 172.1 | -59.8 | -78.9 | 0 | 0 | 0 | 111.7 | F88 C90 P91 W122 M137 Q146 H147 C155 | F88-F144 AromaticContact CD1-CD1 3.86Å; F88-F144 HydrophobicContact CD1-CD1 3.86Å; F88-F144 HydrophobicContact CD2-CD1 4.3Å; F88-F144 AromaticContact CE1-CD1 3.59Å; F88-F144 HydrophobicContact CE1-CD1 3.59Å; F88-F144 AromaticContact CE1-CE1 3.98Å; F88-F144 HydrophobicContact CE1-CE1 3.98Å; F88-F144 HydrophobicContact CE1-CG 4.26Å; F88-F144 HydrophobicContact CE2-CD1 4.06Å; F88-F144 AromaticContact CE2-CE1 3.92Å; F88-F144 HydrophobicContact CE2-CE1 3.92Å; F88-F144 HydrophobicContact CG-CD1 4.21Å; F88-F144 AromaticContact CZ-CD1 3.7Å; F88-F144 HydrophobicContact CZ-CD1 3.7Å; F88-F144 AromaticContact CZ-CE1 3.61Å; F88-F144 HydrophobicContact CZ-CE1 3.61Å; F88-F144 CarbonylContact O-C 3.6Å; F88-F144 VanDerWaalsContact O-CA 3.27Å; F88-F144 WeakPolarHBondContact O-CA 3.31Å; F88-F144 WeakPolarHBondContact O-CB 3.42Å; F88-F144 WeakPolarHBondContact O-CD1 3.47Å; C90-F144 HydrophobicContact CB-CB 4.02Å; C90-F144 HydrophobicContact CB-CD1 4.24Å; C90-F144 HydrophobicContact CB-CD2 3.71Å; C90-F144 HydrophobicContact CB-CE2 4.09Å; C90-F144 HydrophobicContact CB-CG 3.75Å; C90-F144 HydrophobicContact CB-CZ 4.49Å; P91-F144 VanDerWaalsContact C-CE1 3.46Å; W122-F144 HydrophobicContact CH2-CE1 4.45Å; M137-F144 HydrophobicContact CE-CD1 4.22Å; M137-F144 HydrophobicContact CE-CD2 3.79Å; M137-F144 HydrophobicContact CE-CE1 3.88Å; M137-F144 HydrophobicContact CE-CE2 3.41Å; M137-F144 VanDerWaalsContact CE-CE2 3.41Å; M137-F144 HydrophobicContact CE-CG 4.2Å; M137-F144 HydrophobicContact CE-CZ 3.5Å; F144-Q146 PolarHBondContact O-N 3.2Å; F144-H147 HydrophobicContact CB-CB 4.01Å; F144-H147 AromaticContact CD2-CD2 3.88Å; F144-H147 AromaticContact CD2-CE1 3.7Å; F144-H147 AromaticContact CD2-CG 3.95Å; F144-H147 AromaticContact CD2-ND1 3.85Å; F144-H147 AromaticContact CD2-NE2 3.71Å; F144-H147 WeakPolarHBondContact O-CB 3.34Å; F144-H147 PolarHBondContact O-N 2.85Å; F144-H147 VanDerWaalsContact O-N 3.15Å; F144-C155 HydrophobicContact CE2-CB 3.55Å; F144-C155 HydrophobicContact CZ-CB 3.85Å | ||
| 145 | Y | 92.4 | Very high | 89.3 | Confident | 96 Ų | 96 | 68.8 Ų | 68.8 | 38% | 0.376 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 125.3 | 171.8 | -172.6 | -104.2 | 0 | 0 | 0 | 110.5 | K86 F88 V89 H147 | K86-Y145 HydrophobicContact CG-CE2 4.47Å; F88-Y145 PolarHBondContact O-N 2.79Å; V89-Y145 HydrophobicContact CG2-CD1 4.47Å; Y145-H147 VanDerWaalsContact C-N 3.26Å; Y145-H147 PolarHBondContact O-N 3.03Å |
| 146 | Q | 90 | Very high | 88.8 | Confident | 97 Ų | 97 | 65.4 Ų | 65.4 | 45% | 0.453 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 38.3 | -177 | -64.9 | 177.5 | -13.5 | 0 | 0 | 113.9 | F144 S148 T149 L150 | F144-Q146 PolarHBondContact O-N 3.2Å; Q146-S148 PolarHBondContact O-N 2.89Å; Q146-S148 VanDerWaalsContact O-N 3.1Å; Q146-T149 PolarHBondContact O-N 3.3Å; Q146-T149 PolarHBondContact O-OG1 2.94Å; Q146-L150 HydrophobicContact CB-CD1 3.94Å; Q146-L150 HydrophobicContact CB-CG 4.05Å; Q146-L150 PolarHBondContact O-N 2.91Å |
| 147 | H | 90.8 | Very high | 87.4 | Confident | 19 Ų | 19 | 66.8 Ų | 66.8 | 9% | 0.088 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -31.7 | -175.5 | -166.4 | -169.1 | 0 | 0 | 0 | 114.5 | D143 F144 Y145 T149 C151 C155 | D143-H147 IonicContact OD1-CE1 2.85Å; D143-H147 PolarHBondContact OD1-CE1 2.87Å; D143-H147 IonicContact OD1-CG 2.75Å; D143-H147 IonicContact OD1-ND1 3.95Å; D143-H147 PolarHBondContact OD1-ND1 2.67Å; D143-H147 IonicContact OD2-CG 2.67Å; D143-H147 IonicContact OD2-ND1 3.31Å; D143-H147 PolarHBondContact OD2-ND1 3.46Å; F144-H147 HydrophobicContact CB-CB 4.01Å; F144-H147 AromaticContact CD2-CD2 3.88Å; F144-H147 AromaticContact CD2-CE1 3.7Å; F144-H147 AromaticContact CD2-CG 3.95Å; F144-H147 AromaticContact CD2-ND1 3.85Å; F144-H147 AromaticContact CD2-NE2 3.71Å; F144-H147 WeakPolarHBondContact O-CB 3.34Å; F144-H147 PolarHBondContact O-N 2.85Å; F144-H147 VanDerWaalsContact O-N 3.15Å; Y145-H147 VanDerWaalsContact C-N 3.26Å; Y145-H147 PolarHBondContact O-N 3.03Å; H147-T149 VanDerWaalsContact C-N 3.28Å; H147-T149 PolarHBondContact O-N 3.4Å; H147-C151 WeakPolarHBondContact O-CB 3.3Å; H147-C151 PolarHBondContact O-N 2.86Å; H147-C155 PolarHBondContact NE2-SG 3.47Å |
| 148 | S | 86.2 | Confident | 85.7 | Confident | 108 Ų | 108 | 72.7 Ų | 72.7 | 76% | 0.755 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -30.4 | 178.2 | 47 | 0 | 0 | 0 | 0 | 113.9 | Q146 | Q146-S148 PolarHBondContact O-N 2.89Å; Q146-S148 VanDerWaalsContact O-N 3.1Å |
| 149 | T | 88.4 | Confident | 84 | Confident | 107 Ų | 107 | 78 Ų | 78 | 66% | 0.656 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | -27.1 | -178.7 | 54.7 | 0 | 0 | 0 | 0 | 113.1 | Q146 H147 | Q146-T149 PolarHBondContact O-N 3.3Å; Q146-T149 PolarHBondContact O-OG1 2.94Å; H147-T149 VanDerWaalsContact C-N 3.28Å; H147-T149 PolarHBondContact O-N 3.4Å |
| 150 | L | 87.3 | Confident | 82 | Confident | 71 Ų | 71 | 82 Ų | 82 | 37% | 0.372 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -105.1 | 22.5 | -177.6 | -55.6 | -175.7 | 0 | 0 | 0 | 113.4 | V89 C90 Q146 T152 | V89-L150 HydrophobicContact CG1-CB 4.06Å; V89-L150 HydrophobicContact CG1-CD1 3.86Å; C90-L150 WeakPolarHBondContact CB-O 3.38Å; Q146-L150 HydrophobicContact CB-CD1 3.94Å; Q146-L150 HydrophobicContact CB-CG 4.05Å; Q146-L150 PolarHBondContact O-N 2.91Å; L150-T152 PolarHBondContact O-N 3.26Å |
| 151 | C | 90 | Very high | 80.4 | Confident | 45 Ų | 45 | 80.1 Ų | 80.1 | 30% | 0.304 | 42% | 0.424 | S | S | . | . | trans | -67.9 | 127.5 | 176.6 | -168.1 | 0 | 0 | 0 | 0 | 111.9 | H147 N153 | H147-C151 WeakPolarHBondContact O-CB 3.3Å; H147-C151 PolarHBondContact O-N 2.86Å; C151-N153 PolarHBondContact SG-N 3.49Å; C151-N153 PolarHBondContact SG-OD1 3.48Å | ||
| 152 | T | 87.1 | Confident | 78.8 | Confident | 65 Ų | 65 | 80 Ų | 80 | 40% | 0.399 | 43% | 0.427 | S | S | . | . | trans | -94.4 | 3.8 | 171.7 | 60.4 | 0 | 0 | 0 | 0 | 113.4 | C90 P91 L150 T154 | C90-T152 PolarHBondContact SG-N 3.07Å; C90-T152 VanDerWaalsContact SG-N 3.38Å; C90-T152 PolarHBondContact SG-OG1 2.81Å; C90-T152 VanDerWaalsContact SG-OG1 3.4Å; P91-T152 WeakPolarHBondContact CD-OG1 3.42Å; L150-T152 PolarHBondContact O-N 3.26Å; T152-T154 PolarHBondContact O-N 2.74Å; T152-T154 PolarHBondContact OG1-OG1 2.92Å; T152-T154 VanDerWaalsContact OG1-OG1 3.14Å | ||
| 153 | N | 84.4 | Confident | 77.1 | Confident | 134 Ų | 134 | 86.3 Ų | 86.3 | 72% | 0.717 | 46% | 0.46 | S | S | * | . | S | Bend | trans | 55.4 | -3.3 | -175.4 | -63.6 | -41.3 | 0 | 0 | 0 | 116.7 | C151 | C151-N153 PolarHBondContact SG-N 3.49Å; C151-N153 PolarHBondContact SG-OD1 3.48Å |
| 154 | T | 86.6 | Confident | 75.3 | Confident | 106 Ų | 106 | 88.1 Ų | 88.1 | 65% | 0.65 | 47% | 0.469 | S | S | * | . | trans | -91.2 | 0.9 | 176.7 | 60.6 | 0 | 0 | 0 | 0 | 114 | T152 | T152-T154 PolarHBondContact O-N 2.74Å; T152-T154 PolarHBondContact OG1-OG1 2.92Å; T152-T154 VanDerWaalsContact OG1-OG1 3.14Å | ||
| 155 | C | 85.2 | Confident | 73 | Confident | 13 Ų | 13 | 91 Ų | 91 | 9% | 0.088 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -90.3 | -17.6 | -170.3 | 62.5 | 0 | 0 | 0 | 0 | 115.3 | C90 P91 K123 F144 H147 | C90-C155 WeakPolarHBondContact SG-CB 3.42Å; C90-C155 PolarHBondContact SG-SG 2.58Å; P91-C155 HydrophobicContact CB-CB 3.9Å; K123-C155 PolarHBondContact NZ-O 2.98Å; F144-C155 HydrophobicContact CE2-CB 3.55Å; F144-C155 HydrophobicContact CZ-CB 3.85Å; H147-C155 PolarHBondContact NE2-SG 3.47Å |
| 156 | R | 81.4 | Confident | 70.4 | Confident | 66 Ų | 66 | 93.6 Ų | 93.6 | 25% | 0.249 | 51% | 0.505 | C | S | . | . | S | Bend | trans | -91.8 | 147.7 | 169.7 | -76.9 | -172.6 | 179.2 | -85.3 | 0.7 | 109.6 | D161 | R156-D161 HydrophobicContact CB-CB 3.94Å; R156-D161 WeakPolarHBondContact CD-OD1 3.14Å; R156-D161 HydrophobicContact CG-CB 4.39Å; R156-D161 IonicContact CZ-OD1 3.72Å; R156-D161 IonicContact NE-OD1 3.62Å; R156-D161 IonicContact NH1-OD1 2.74Å; R156-D161 PolarHBondContact NH1-OD1 2.93Å |
| 157 | S | 63.9 | Low | 68.1 | Low | 56 Ų | 56 | 94.9 Ų | 94.9 | 39% | 0.392 | 52% | 0.52 | S | S | . | . | trans | -88 | 123.7 | -174.1 | 50.7 | 0 | 0 | 0 | 0 | 110.8 | R134 K159 D161 | R134-S157 PolarHBondContact NH1-OG 3.09Å; S157-K159 PolarHBondContact O-N 3.43Å; S157-D161 PolarHBondContact N-OD2 2.9Å; S157-D161 VanDerWaalsContact O-OD2 3.1Å; S157-D161 PolarHBondContact OG-OD2 2.83Å | ||
| 158 | T | 56.8 | Low | 66 | Low | 139 Ų | 139 | 99.4 Ų | 99.4 | 85% | 0.853 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | 32.7 | -162.4 | 51.6 | 0 | 0 | 0 | 0 | 116.5 | ||
| 159 | K | 52.4 | Low | 63.4 | Low | 200 Ų | 200 | 103.6 Ų | 103.6 | 87% | 0.87 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141 | 1 | -179 | -133.6 | -172.5 | -178.2 | -170.5 | 0 | 117.5 | S157 | S157-K159 PolarHBondContact O-N 3.43Š|
| 160 | F | 49 | Very low | 61.2 | Low | 145 Ų | 145 | 102.7 Ų | 102.7 | 64% | 0.636 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -146.5 | -36.2 | 176.1 | -164.1 | -100.6 | 0 | 0 | 0 | 112.4 | L162 L163 I164 | F160-L162 PolarHBondContact O-N 3.47Å; F160-L163 PolarHBondContact O-N 2.92Å; F160-I164 HydrophobicContact CD1-CD1 4.13Å; F160-I164 HydrophobicContact CE1-CD1 4.16Å |
| 161 | D | 51.9 | Low | 59.5 | Low | 9 Ų | 9 | 104.8 Ų | 104.8 | 5% | 0.048 | 56% | 0.555 | C | S | . | * | G | 310 helix | trans | -56.6 | -19.6 | -177.1 | -77.8 | -86.5 | 0 | 0 | 0 | 115.5 | R134 R156 S157 L163 I164 N165 | R134-D161 IonicContact CZ-OD2 2.76Å; R134-D161 IonicContact NH1-OD2 2.7Å; R134-D161 IonicContact NH2-OD1 3.46Å; R134-D161 PolarHBondContact NH2-OD1 2.87Å; R134-D161 IonicContact NH2-OD2 3.44Å; R134-D161 PolarHBondContact NH2-OD2 3.02Å; R134-D161 VanDerWaalsContact NH2-OD2 3.07Å; R156-D161 HydrophobicContact CB-CB 3.94Å; R156-D161 WeakPolarHBondContact CD-OD1 3.14Å; R156-D161 HydrophobicContact CG-CB 4.39Å; R156-D161 IonicContact CZ-OD1 3.72Å; R156-D161 IonicContact NE-OD1 3.62Å; R156-D161 IonicContact NH1-OD1 2.74Å; R156-D161 PolarHBondContact NH1-OD1 2.93Å; S157-D161 PolarHBondContact N-OD2 2.9Å; S157-D161 VanDerWaalsContact O-OD2 3.1Å; S157-D161 PolarHBondContact OG-OD2 2.83Å; D161-L163 VanDerWaalsContact C-N 3.34Å; D161-L163 PolarHBondContact O-N 3.32Å; D161-I164 PolarHBondContact O-N 2.87Å; D161-I164 VanDerWaalsContact O-N 3.13Å; D161-N165 PolarHBondContact O-N 2.69Å |
| 162 | L | 54.1 | Low | 57 | Low | 140 Ų | 140 | 110.5 Ų | 110.5 | 73% | 0.733 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -63 | -34.4 | -178.3 | -72.6 | 175 | 0 | 0 | 0 | 113.8 | F160 I164 N165 | F160-L162 PolarHBondContact O-N 3.47Å; L162-I164 VanDerWaalsContact C-N 3.28Å; L162-I164 PolarHBondContact O-N 2.75Å; L162-N165 PolarHBondContact O-N 2.99Å |
| 163 | L | 55.4 | Low | 54.5 | Low | 147 Ų | 147 | 112.7 Ų | 112.7 | 77% | 0.77 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -72.4 | -24.7 | 177 | -73.3 | 155.1 | 0 | 0 | 0 | 112.2 | F160 D161 | F160-L163 PolarHBondContact O-N 2.92Å; D161-L163 VanDerWaalsContact C-N 3.34Å; D161-L163 PolarHBondContact O-N 3.32Å |
| 164 | I | 54.1 | Low | 52.2 | Low | 80 Ų | 80 | 113.7 Ų | 113.7 | 41% | 0.41 | 61% | 0.612 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89 | -22.5 | -179.8 | -57.9 | 169.4 | 0 | 0 | 0 | 110.5 | F160 D161 L162 N166 T167 | F160-I164 HydrophobicContact CD1-CD1 4.13Å; F160-I164 HydrophobicContact CE1-CD1 4.16Å; D161-I164 PolarHBondContact O-N 2.87Å; D161-I164 VanDerWaalsContact O-N 3.13Å; L162-I164 VanDerWaalsContact C-N 3.28Å; L162-I164 PolarHBondContact O-N 2.75Å; I164-N166 PolarHBondContact O-N 3.03Å; I164-N166 VanDerWaalsContact O-N 3.16Å; I164-T167 PolarHBondContact O-N 3.06Å; I164-T167 PolarHBondContact O-OG1 2.85Å; I164-T167 VanDerWaalsContact O-OG1 3.13Å |
| 165 | N | 45.1 | Very low | 49.6 | Very low | 69 Ų | 69 | 112 Ų | 112 | 37% | 0.369 | 62% | 0.615 | S | S | . | * | G | 310 helix | trans | -66.2 | -18.8 | -175.8 | -156.3 | 88.5 | 0 | 0 | 0 | 113.8 | D161 L162 T167 R168 | D161-N165 PolarHBondContact O-N 2.69Å; L162-N165 PolarHBondContact O-N 2.99Å; N165-T167 PolarHBondContact O-N 2.78Å; N165-T167 VanDerWaalsContact O-N 3.14Å; N165-R168 PolarHBondContact O-N 3.38Å |
| 166 | N | 37.9 | Very low | 47.3 | Very low | 149 Ų | 149 | 118.9 Ų | 118.9 | 80% | 0.797 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -66.1 | -10.4 | 177.7 | -76.1 | 10.5 | 0 | 0 | 0 | 114.1 | I164 | I164-N166 PolarHBondContact O-N 3.03Å; I164-N166 VanDerWaalsContact O-N 3.16Å |
| 167 | T | 41.8 | Very low | 44.9 | Very low | 124 Ų | 124 | 122 Ų | 122 | 76% | 0.761 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -105.4 | 5.8 | 174.9 | 60.6 | 0 | 0 | 0 | 0 | 114.2 | I164 N165 | I164-T167 PolarHBondContact O-N 3.06Å; I164-T167 PolarHBondContact O-OG1 2.85Å; I164-T167 VanDerWaalsContact O-OG1 3.13Å; N165-T167 PolarHBondContact O-N 2.78Å; N165-T167 VanDerWaalsContact O-N 3.14Å |
| 168 | R | 46 | Very low | 43.4 | Very low | 114 Ų | 114 | 125.2 Ų | 125.2 | 43% | 0.43 | 69% | 0.694 | S | S | . | * | S | Bend | trans | -135.1 | 97.8 | 174.6 | -169.8 | 179.9 | -79.6 | -160.3 | -2.2 | 110.6 | D143 N165 | D143-R168 IonicContact OD2-CZ 3.93Å; D143-R168 IonicContact OD2-NH1 3.07Å; D143-R168 PolarHBondContact OD2-NH1 3.07Å; D143-R168 IonicContact OD2-NH2 2.79Å; D143-R168 PolarHBondContact OD2-NH2 3.37Å; N165-R168 PolarHBondContact O-N 3.38Å |
| 169 | F | 33.4 | Very low | 42.2 | Very low | 196 Ų | 196 | 124.7 Ų | 124.7 | 86% | 0.86 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 134.9 | 179.7 | -66.9 | -89.6 | 0 | 0 | 0 | 112.8 | ||
| 170 | P | 41.9 | Very low | 41.2 | Very low | 88 Ų | 88 | 121.6 Ų | 121.6 | 57% | 0.571 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 150.8 | 159.8 | 34.4 | -32.4 | 0 | 0 | 0 | 110.4 | ||
| 171 | P | 51.2 | Low | 40.1 | Very low | 115 Ų | 115 | 120 Ų | 120 | 75% | 0.747 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 137.4 | 165.9 | 31.5 | -32.6 | 0 | 0 | 0 | 110.5 | ||
| 172 | D | 37 | Very low | 39.1 | Very low | 166 Ų | 166 | 125.4 Ų | 125.4 | 89% | 0.888 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 132.9 | -178.6 | -72.8 | -60 | 0 | 0 | 0 | 113.2 | ||
| 173 | S | 34.2 | Very low | 38 | Very low | 110 Ų | 110 | 128.1 Ų | 128.1 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | trans | -139 | 115.8 | 156.4 | 71.5 | 0 | 0 | 0 | 0 | 109.6 | G175 | S173-G175 PolarHBondContact O-N 2.93Š| ||
| 174 | T | 36.6 | Very low | 36.7 | Very low | 156 Ų | 156 | 127.4 Ų | 127.4 | 96% | 0.957 | 75% | 0.746 | S | S | * | * | trans | -56 | 117.9 | -169.5 | -47.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 175 | G | 31.8 | Very low | 35.5 | Very low | 69 Ų | 69 | 131.5 Ų | 131.5 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | trans | -154.5 | 83.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S173 T177 | S173-G175 PolarHBondContact O-N 2.93Å; G175-T177 PolarHBondContact O-N 2.91Å; G175-T177 VanDerWaalsContact O-N 3.17Å | ||
| 176 | L | 37.7 | Very low | 34.7 | Very low | 159 Ų | 159 | 134.4 Ų | 134.4 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -71.3 | 102.9 | -172.6 | -178.4 | 76.5 | 0 | 0 | 0 | 113.3 | ||||
| 177 | T | 31.6 | Very low | 34.4 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -146.3 | 107.1 | 149.4 | 42.8 | 0 | 0 | 0 | 0 | 111.4 | G175 | G175-T177 PolarHBondContact O-N 2.91Å; G175-T177 VanDerWaalsContact O-N 3.17Å | ||
| 178 | T | 32 | Very low | 33.9 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -94.1 | 121.4 | 169.9 | 39.2 | 0 | 0 | 0 | 0 | 110.6 | T180 | T178-T180 PolarHBondContact O-N 2.9Š| ||
| 179 | P | 31.9 | Very low | 33 | Very low | 128 Ų | 128 | 132.2 Ų | 132.2 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | trans | -84.4 | 87.4 | 166.2 | 32.7 | -30.7 | 0 | 0 | 0 | 109.4 | S181 | P179-S181 PolarHBondContact O-N 3.49Š| ||
| 180 | T | 29.9 | Very low | 33.1 | Very low | 136 Ų | 136 | 131.2 Ų | 131.2 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | trans | -69.4 | 128.9 | 165.7 | -173.4 | 0 | 0 | 0 | 0 | 109.7 | T178 | T178-T180 PolarHBondContact O-N 2.9Š| ||
| 181 | S | 26.7 | Very low | 32.4 | Very low | 111 Ų | 111 | 131 Ų | 131 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | trans | -158.1 | 86.4 | 172.7 | -169.2 | 0 | 0 | 0 | 0 | 111 | P179 | P179-S181 PolarHBondContact O-N 3.49Š| ||
| 182 | S | 30.6 | Very low | 31.3 | Very low | 122 Ų | 122 | 129 Ų | 129 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | -164.1 | 68.9 | 164.6 | -80.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 183 | Q | 30.2 | Very low | 30.9 | Very low | 197 Ų | 197 | 127.3 Ų | 127.3 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | -137.2 | 141.7 | 164.6 | -130.8 | 176.9 | 19.1 | 0 | 0 | 111.6 | ||||
| 184 | V | 30.2 | Very low | 30.7 | Very low | 132 Ų | 132 | 128.2 Ų | 128.2 | 80% | 0.8 | 81% | 0.81 | S | S | * | * | trans | -74.9 | 138.1 | -169.1 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | T186 | V184-T186 PolarHBondContact O-N 3.37Å; V184-T186 VanDerWaalsContact O-N 3.14Å | ||
| 185 | H | 27 | Very low | 30.3 | Very low | 167 Ų | 167 | 127 Ų | 127 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -78.6 | 94.7 | -178.1 | -180 | -81.6 | 0 | 0 | 0 | 111.8 | V187 | H185-V187 VanDerWaalsContact CE1-CG2 3.43Å; H185-V187 WeakPolarHBondContact CE1-CG2 3.27Å | ||
| 186 | T | 29.5 | Very low | 30.2 | Very low | 129 Ų | 129 | 130.5 Ų | 130.5 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | -108.5 | 128.7 | 168.5 | -53.1 | 0 | 0 | 0 | 0 | 109.7 | V184 | V184-T186 PolarHBondContact O-N 3.37Å; V184-T186 VanDerWaalsContact O-N 3.14Å | ||
| 187 | V | 31.1 | Very low | 29.8 | Very low | 101 Ų | 101 | 130.7 Ų | 130.7 | 61% | 0.612 | 81% | 0.806 | S | S | * | * | trans | -89.5 | 132.7 | -172.9 | 179.2 | 0 | 0 | 0 | 0 | 111.2 | H185 | H185-V187 VanDerWaalsContact CE1-CG2 3.43Å; H185-V187 WeakPolarHBondContact CE1-CG2 3.27Å | ||
| 188 | L | 32.2 | Very low | 30 | Very low | 169 Ų | 169 | 134.8 Ų | 134.8 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | trans | 178.3 | 150.6 | 131.2 | -119 | 83.6 | 0 | 0 | 0 | 112.9 | ||||
| 189 | G | 26.9 | Very low | 29.8 | Very low | 72 Ų | 72 | 133.9 Ų | 133.9 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | trans | 96.1 | 103.4 | 137.4 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 190 | N | 34.5 | Very low | 29.8 | Very low | 174 Ų | 174 | 135.9 Ų | 135.9 | 93% | 0.93 | 81% | 0.811 | S | S | * | * | trans | -52.2 | 147 | 172.7 | -58.5 | -14.1 | 0 | 0 | 0 | 117.3 | ||||
| 191 | G | 28.7 | Very low | 29.7 | Very low | 83 Ų | 83 | 136.8 Ų | 136.8 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | 115.3 | 142.7 | 117.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 192 | G | 28 | Very low | 29.8 | Very low | 73 Ų | 73 | 140 Ų | 140 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | trans | 134.5 | 108.9 | 158.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 193 | T | 28.1 | Very low | 30 | Very low | 131 Ų | 131 | 138 Ų | 138 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -7.3 | 131.7 | 147.8 | 47.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 194 | V | 30.8 | Very low | 29.8 | Very low | 129 Ų | 129 | 138.9 Ų | 138.9 | 78% | 0.782 | 81% | 0.808 | S | S | * | * | 85.5 | 150.6 | 60.3 | 168.9 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 195 | T | 27.8 | Very low | 30.1 | Very low | 131 Ų | 131 | 141.7 Ų | 141.7 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | 70.1 | 121.9 | -166.3 | 58.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 196 | D | 29.4 | Very low | 30.3 | Very low | 143 Ų | 143 | 139.8 Ų | 139.8 | 77% | 0.765 | 80% | 0.804 | S | S | * | * | cis | 79.4 | 111.3 | 34.7 | -158.4 | -4.8 | 0 | 0 | 0 | 112.9 | ||||
| 197 | D | 29.9 | Very low | 30.3 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | -165.3 | 170.9 | 123.9 | -132.7 | -52.8 | 0 | 0 | 0 | 112.6 | |||||
| 198 | R | 34.6 | Very low | 30 | Very low | 218 Ų | 218 | 147.1 Ų | 147.1 | 82% | 0.823 | 82% | 0.817 | S | S | * | * | trans | -133.8 | 122.9 | -161.3 | 167.6 | -169.2 | 172.3 | 171.9 | -0.8 | 112.7 | ||||
| 199 | A | 28.6 | Very low | 29.9 | Very low | 104 Ų | 104 | 143.9 Ų | 143.9 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -149 | 146.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 200 | E | 30.6 | Very low | 29.8 | Very low | 170 Ų | 170 | 146 Ų | 146 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | -89 | 159 | 172.5 | -54.5 | 176.9 | 162.7 | 0 | 0 | 110.6 | ||||
| 201 | L | 28.9 | Very low | 29.5 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | 177.4 | 166.4 | 104.6 | -164.7 | 53.4 | 0 | 0 | 0 | 111.3 | |||||
| 202 | M | 28.2 | Very low | 29.4 | Very low | 178 Ų | 178 | 144.8 Ų | 144.8 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -54 | 150.1 | -171.8 | -59.7 | -177.2 | -178.1 | 0 | 0 | 117 | ||||
| 203 | G | 34.1 | Very low | 29.6 | Very low | 80 Ų | 80 | 149 Ų | 149 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | 85.1 | 88.6 | 122.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 204 | R | 25.9 | Very low | 29.7 | Very low | 216 Ų | 216 | 151.6 Ų | 151.6 | 82% | 0.815 | 81% | 0.808 | S | S | * | * | trans | -141.9 | 105.2 | 166.9 | -164.5 | 163.8 | 176.2 | 166.2 | -4.7 | 113.3 | L206 | R204-L206 HydrophobicContact CG-CD1 4.44Å; R204-L206 HydrophobicContact CG-CG 4.3Å; R204-L206 PolarHBondContact O-N 3.44Å | ||
| 205 | K | 37.7 | Very low | 29.9 | Very low | 192 Ų | 192 | 151.2 Ų | 151.2 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | -61.3 | 110.9 | 164.1 | 172.2 | -159.6 | 170.5 | -169.5 | 0 | 109.7 | ||||
| 206 | L | 31.3 | Very low | 30 | Very low | 127 Ų | 127 | 148.3 Ų | 148.3 | 67% | 0.665 | 81% | 0.807 | S | S | * | * | trans | -145.4 | 123.9 | 159.3 | -67.5 | 175.3 | 0 | 0 | 0 | 104.7 | R204 | R204-L206 HydrophobicContact CG-CD1 4.44Å; R204-L206 HydrophobicContact CG-CG 4.3Å; R204-L206 PolarHBondContact O-N 3.44Å | ||
| 207 | D | 28.6 | Very low | 30.7 | Very low | 135 Ų | 135 | 149.2 Ų | 149.2 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | cis | 67.1 | 88.6 | 39.7 | -142.3 | -14.1 | 0 | 0 | 0 | 110.4 | ||||
| 208 | W | 26.3 | Very low | 31.1 | Very low | 249 Ų | 249 | 151.1 Ų | 151.1 | 94% | 0.943 | 81% | 0.813 | S | S | * | * | trans | -102.4 | 104.1 | -176.2 | -170.6 | -61.4 | 0 | 0 | 0 | 109.7 | S210 | W208-S210 PolarHBondContact O-N 3.41Š| ||
| 209 | S | 28.6 | Very low | 31.4 | Very low | 100 Ų | 100 | 150.6 Ų | 150.6 | 70% | 0.699 | 82% | 0.817 | S | S | * | * | trans | -62.3 | 131.5 | 179.6 | -53.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 210 | S | 25.5 | Very low | 31.6 | Very low | 118 Ų | 118 | 149.3 Ų | 149.3 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -83.4 | 117.9 | 162.5 | -176.5 | 0 | 0 | 0 | 0 | 109.6 | W208 | W208-S210 PolarHBondContact O-N 3.41Š| ||
| 211 | S | 27.4 | Very low | 32.3 | Very low | 107 Ų | 107 | 144.8 Ų | 144.8 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | 162.7 | 118.9 | 136.8 | 61.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 212 | S | 26.9 | Very low | 33.3 | Very low | 123 Ų | 123 | 143.4 Ų | 143.4 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -146.9 | 122.3 | 135.1 | -168.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 213 | M | 32.2 | Very low | 34.9 | Very low | 163 Ų | 163 | 142.6 Ų | 142.6 | 80% | 0.803 | 80% | 0.798 | S | S | * | * | trans | -75.4 | 138.4 | 178 | 64.1 | -155.9 | 78.5 | 0 | 0 | 110.5 | ||||
| 214 | E | 29.8 | Very low | 36.6 | Very low | 184 Ų | 184 | 144.1 Ų | 144.1 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -147 | 159 | 136.4 | -88.6 | -63.8 | 62.5 | 0 | 0 | 107.5 | ||||
| 215 | S | 36 | Very low | 39.3 | Very low | 122 Ų | 122 | 136.5 Ų | 136.5 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | -77 | 151.6 | -159.5 | 58.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 216 | G | 29.7 | Very low | 41.6 | Very low | 69 Ų | 69 | 134.3 Ų | 134.3 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | trans | 160.3 | 74.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | K218 | G216-K218 PolarHBondContact O-N 3.21Å; G216-K218 VanDerWaalsContact O-N 3.07Å | ||
| 217 | D | 45.1 | Very low | 44.3 | Very low | 163 Ų | 163 | 134.4 Ų | 134.4 | 87% | 0.872 | 76% | 0.76 | S | S | * | * | trans | -57.4 | 111.9 | 174.7 | -80.4 | -85.5 | 0 | 0 | 0 | 112.7 | ||||
| 218 | K | 38.3 | Very low | 47.1 | Very low | 201 Ų | 201 | 130.6 Ų | 130.6 | 87% | 0.874 | 74% | 0.742 | S | S | * | * | trans | -152.7 | 83.6 | 154.5 | -112.5 | 153.5 | -170.5 | 174.5 | 0 | 110.7 | G216 G220 | G216-K218 PolarHBondContact O-N 3.21Å; G216-K218 VanDerWaalsContact O-N 3.07Å; K218-G220 PolarHBondContact O-N 2.97Å | ||
| 219 | K | 40.1 | Very low | 49.9 | Very low | 207 Ų | 207 | 123.2 Ų | 123.2 | 90% | 0.9 | 72% | 0.72 | S | S | * | * | trans | -52.4 | 100.1 | 158.7 | 176.2 | -179.2 | 177.2 | -178.6 | 0 | 107.8 | S221 | K219-S221 VanDerWaalsContact C-N 3.28Å; K219-S221 PolarHBondContact O-N 3.34Å | ||
| 220 | G | 33.3 | Very low | 52.8 | Low | 77 Ų | 77 | 122.4 Ų | 122.4 | 79% | 0.794 | 71% | 0.708 | S | S | * | * | trans | -66.9 | 85 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | K218 | K218-G220 PolarHBondContact O-N 2.97Š| ||
| 221 | S | 44.3 | Very low | 55.9 | Low | 76 Ų | 76 | 122.7 Ų | 122.7 | 53% | 0.531 | 69% | 0.694 | S | S | . | * | trans | -56.1 | 138.2 | 165.2 | -167.1 | 0 | 0 | 0 | 0 | 108.4 | K219 E223 | K219-S221 VanDerWaalsContact C-N 3.28Å; K219-S221 PolarHBondContact O-N 3.34Å; S221-E223 PolarHBondContact O-N 2.92Å | ||
| 222 | S | 51.1 | Low | 59 | Low | 124 Ų | 124 | 122.3 Ų | 122.3 | 87% | 0.867 | 68% | 0.677 | S | S | * | * | trans | -78.8 | 67.4 | 165 | -157.8 | 0 | 0 | 0 | 0 | 107.5 | I224 | S222-I224 PolarHBondContact O-N 3.41Å; S222-I224 VanDerWaalsContact O-N 3.17Å | ||
| 223 | E | 60.3 | Low | 62 | Low | 162 Ų | 162 | 122.1 Ų | 122.1 | 76% | 0.757 | 66% | 0.66 | S | S | * | * | trans | -67.1 | 112.7 | -178.5 | -104 | 165.8 | 171.9 | 0 | 0 | 109.1 | S221 S225 | S221-E223 PolarHBondContact O-N 2.92Å; E223-S225 PolarHBondContact O-N 3.28Å | ||
| 224 | I | 70.6 | Confident | 64.8 | Low | 112 Ų | 112 | 115.9 Ų | 115.9 | 57% | 0.574 | 64% | 0.638 | S | S | * | * | trans | -54.6 | 125 | 169.4 | -60.6 | 168.8 | 0 | 0 | 0 | 106.7 | S222 E226 T228 L229 | S222-I224 PolarHBondContact O-N 3.41Å; S222-I224 VanDerWaalsContact O-N 3.17Å; I224-E226 PolarHBondContact O-N 2.83Å; I224-T228 HydrophobicContact CG2-CG2 3.79Å; I224-L229 HydrophobicContact CB-CD2 4.3Å; I224-L229 HydrophobicContact CG2-CD2 3.8Å; I224-L229 HydrophobicContact CG2-CG 4.03Å | ||
| 225 | S | 82.9 | Confident | 67.6 | Low | 55 Ų | 55 | 108.5 Ų | 108.5 | 39% | 0.385 | 60% | 0.604 | S | S | . | * | trans | -58.5 | 143.2 | -173 | 67.5 | 0 | 0 | 0 | 0 | 111.3 | E223 D227 T228 L229 | E223-S225 PolarHBondContact O-N 3.28Å; S225-D227 PolarHBondContact O-N 3.46Å; S225-T228 WeakPolarHBondContact O-CA 3.33Å; S225-T228 VanDerWaalsContact O-CB 3.3Å; S225-T228 WeakPolarHBondContact O-CB 3.47Å; S225-T228 PolarHBondContact O-N 2.9Å; S225-T228 PolarHBondContact OG-N 3.47Å; S225-T228 PolarHBondContact OG-OG1 3.45Å; S225-L229 PolarHBondContact O-N 3.02Å; S225-L229 VanDerWaalsContact O-N 3.12Å | ||
| 226 | E | 86.3 | Confident | 70 | Confident | 146 Ų | 146 | 104.9 Ų | 104.9 | 68% | 0.682 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -56.5 | -35.7 | -179.9 | -158.6 | -172.3 | 146.1 | 0 | 0 | 111.3 | I224 T228 L229 N230 | I224-E226 PolarHBondContact O-N 2.83Å; E226-T228 VanDerWaalsContact C-N 3.31Å; E226-T228 PolarHBondContact O-N 2.93Å; E226-L229 PolarHBondContact O-N 3.26Å; E226-N230 WeakPolarHBondContact O-CB 3.42Å; E226-N230 PolarHBondContact O-N 3.24Å; E226-N230 PolarHBondContact O-ND2 3Å; E226-N230 VanDerWaalsContact O-ND2 3.17Å |
| 227 | D | 86.5 | Confident | 72.9 | Confident | 129 Ų | 129 | 107.2 Ų | 107.2 | 69% | 0.69 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -57.4 | -39.9 | 171.7 | -55.5 | -58.1 | 0 | 0 | 0 | 113.1 | S225 F231 | S225-D227 PolarHBondContact O-N 3.46Å; D227-F231 WeakPolarHBondContact O-CB 3.49Å; D227-F231 PolarHBondContact O-N 3.21Å |
| 228 | T | 88.1 | Confident | 75 | Confident | 56 Ų | 56 | 104.5 Ų | 104.5 | 34% | 0.344 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69.7 | -40.6 | 178.1 | -56.9 | 0 | 0 | 0 | 0 | 110.7 | I224 S225 E226 F231 W232 | I224-T228 HydrophobicContact CG2-CG2 3.79Å; S225-T228 WeakPolarHBondContact O-CA 3.33Å; S225-T228 VanDerWaalsContact O-CB 3.3Å; S225-T228 WeakPolarHBondContact O-CB 3.47Å; S225-T228 PolarHBondContact O-N 2.9Å; S225-T228 PolarHBondContact OG-N 3.47Å; S225-T228 PolarHBondContact OG-OG1 3.45Å; E226-T228 VanDerWaalsContact C-N 3.31Å; E226-T228 PolarHBondContact O-N 2.93Å; T228-F231 PolarHBondContact O-N 2.92Å; T228-W232 PolarHBondContact O-N 2.84Å; T228-W232 VanDerWaalsContact O-N 3.09Å |
| 229 | L | 85.8 | Confident | 77.4 | Confident | 93 Ų | 93 | 97.9 Ų | 97.9 | 49% | 0.487 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.7 | -42.1 | 175.6 | -61.8 | 177.9 | 0 | 0 | 0 | 111.3 | I224 S225 E226 F231 W232 K233 | I224-L229 HydrophobicContact CB-CD2 4.3Å; I224-L229 HydrophobicContact CG2-CD2 3.8Å; I224-L229 HydrophobicContact CG2-CG 4.03Å; S225-L229 PolarHBondContact O-N 3.02Å; S225-L229 VanDerWaalsContact O-N 3.12Å; E226-L229 PolarHBondContact O-N 3.26Å; L229-F231 VanDerWaalsContact C-N 3.35Å; L229-F231 PolarHBondContact O-N 2.67Å; L229-W232 PolarHBondContact O-N 3.35Å; L229-K233 VanDerWaalsContact O-CB 3.25Å; L229-K233 WeakPolarHBondContact O-CB 3.2Å; L229-K233 PolarHBondContact O-N 2.87Å |
| 230 | N | 89.4 | Confident | 79.8 | Confident | 83 Ų | 83 | 91.8 Ų | 91.8 | 44% | 0.444 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66 | -34 | 175.6 | -76.6 | -39.5 | 0 | 0 | 0 | 112.5 | E226 G234 | E226-N230 WeakPolarHBondContact O-CB 3.42Å; E226-N230 PolarHBondContact O-N 3.24Å; E226-N230 PolarHBondContact O-ND2 3Å; E226-N230 VanDerWaalsContact O-ND2 3.17Å; N230-G234 PolarHBondContact O-N 3.12Å |
| 231 | F | 90.6 | Very high | 82.5 | Confident | 125 Ų | 125 | 91.2 Ų | 91.2 | 55% | 0.548 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.9 | -51.2 | 171.6 | 170.1 | -99.3 | 0 | 0 | 0 | 112.2 | D227 T228 L229 K233 G234 I235 | D227-F231 WeakPolarHBondContact O-CB 3.49Å; D227-F231 PolarHBondContact O-N 3.21Å; T228-F231 PolarHBondContact O-N 2.92Å; L229-F231 VanDerWaalsContact C-N 3.35Å; L229-F231 PolarHBondContact O-N 2.67Å; F231-K233 VanDerWaalsContact C-N 3.3Å; F231-K233 PolarHBondContact O-N 2.98Å; F231-G234 PolarHBondContact O-N 3.15Å; F231-I235 HydrophobicContact CD1-CD1 4.18Å; F231-I235 HydrophobicContact CE1-CD1 3.56Å; F231-I235 HydrophobicContact CE2-CD1 4Å; F231-I235 HydrophobicContact CZ-CD1 3.47Å; F231-I235 VanDerWaalsContact CZ-CD1 3.47Å; F231-I235 PolarHBondContact O-N 2.98Å; F231-I235 VanDerWaalsContact O-N 3.07Å |
| 232 | W | 92.8 | Very high | 84.6 | Confident | 99 Ų | 99 | 89.9 Ų | 89.9 | 38% | 0.375 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.6 | -35.9 | 177.1 | -77.1 | 113.3 | 0 | 0 | 0 | 112.5 | T228 L229 I235 A236 L241 V244 I248 | T228-W232 PolarHBondContact O-N 2.84Å; T228-W232 VanDerWaalsContact O-N 3.09Å; L229-W232 PolarHBondContact O-N 3.35Å; W232-I235 HydrophobicContact CE3-CD1 4.28Å; W232-I235 HydrophobicContact CZ3-CD1 4.4Å; W232-I235 PolarHBondContact O-N 3.22Å; W232-A236 PolarHBondContact O-N 3.36Å; W232-L241 HydrophobicContact CE3-CD1 3.67Å; W232-L241 HydrophobicContact CZ3-CD1 3.92Å; W232-V244 HydrophobicContact CH2-CG1 4.06Å; W232-V244 HydrophobicContact CZ3-CG1 3.8Å; W232-I248 HydrophobicContact CH2-CD1 3.91Å |
| 233 | K | 88.1 | Confident | 86.5 | Confident | 119 Ų | 119 | 90.6 Ų | 90.6 | 52% | 0.517 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 171.4 | -175 | -177 | 172.5 | -173.8 | 0 | 111.4 | L229 F231 I235 A236 D237 | L229-K233 VanDerWaalsContact O-CB 3.25Å; L229-K233 WeakPolarHBondContact O-CB 3.2Å; L229-K233 PolarHBondContact O-N 2.87Å; F231-K233 VanDerWaalsContact C-N 3.3Å; F231-K233 PolarHBondContact O-N 2.98Å; K233-I235 VanDerWaalsContact C-N 3.27Å; K233-I235 PolarHBondContact O-N 2.96Å; K233-A236 CarbonylContact O-C 3.42Å; K233-A236 WeakPolarHBondContact O-CA 3.28Å; K233-A236 WeakPolarHBondContact O-CB 3.49Å; K233-A236 PolarHBondContact O-N 2.92Å; K233-D237 WeakPolarHBondContact CE-OD2 3.45Å; K233-D237 WeakPolarHBondContact O-CB 3.46Å; K233-D237 VanDerWaalsContact O-CG 3.27Å; K233-D237 PolarHBondContact O-N 2.89Å |
| 234 | G | 91 | Very high | 88.1 | Confident | 32 Ų | 32 | 85 Ų | 85 | 33% | 0.33 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.3 | -35.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | N230 F231 V238 | N230-G234 PolarHBondContact O-N 3.12Å; F231-G234 PolarHBondContact O-N 3.15Å; G234-V238 VanDerWaalsContact O-CG2 3.28Å; G234-V238 WeakPolarHBondContact O-CG2 3.48Å; G234-V238 PolarHBondContact O-N 3.33Å |
| 235 | I | 88.9 | Confident | 89.2 | Confident | 29 Ų | 29 | 83.2 Ų | 83.2 | 15% | 0.149 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -69.1 | -36 | 172.9 | -71.1 | 174 | 0 | 0 | 0 | 111.8 | F231 W232 K233 G239 L240 L241 V244 | F231-I235 HydrophobicContact CD1-CD1 4.18Å; F231-I235 HydrophobicContact CE1-CD1 3.56Å; F231-I235 HydrophobicContact CE2-CD1 4Å; F231-I235 HydrophobicContact CZ-CD1 3.47Å; F231-I235 VanDerWaalsContact CZ-CD1 3.47Å; F231-I235 PolarHBondContact O-N 2.98Å; F231-I235 VanDerWaalsContact O-N 3.07Å; W232-I235 HydrophobicContact CE3-CD1 4.28Å; W232-I235 HydrophobicContact CZ3-CD1 4.4Å; W232-I235 PolarHBondContact O-N 3.22Å; K233-I235 VanDerWaalsContact C-N 3.27Å; K233-I235 PolarHBondContact O-N 2.96Å; I235-G239 PolarHBondContact O-N 3.43Å; I235-L240 HydrophobicContact CG2-CB 4.27Å; I235-L240 PolarHBondContact O-N 2.91Å; I235-L241 HydrophobicContact CG2-CB 4.11Å; I235-L241 HydrophobicContact CG2-CD1 4.14Å; I235-L241 PolarHBondContact O-N 3.14Å; I235-V244 HydrophobicContact CG2-CB 4.4Å; I235-V244 HydrophobicContact CG2-CG2 4.09Å |
| 236 | A | 88.1 | Confident | 89.6 | Confident | 45 Ų | 45 | 84.9 Ų | 84.9 | 37% | 0.372 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -71.9 | -43.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | W232 K233 V238 G239 L241 | W232-A236 PolarHBondContact O-N 3.36Å; K233-A236 CarbonylContact O-C 3.42Å; K233-A236 WeakPolarHBondContact O-CA 3.28Å; K233-A236 WeakPolarHBondContact O-CB 3.49Å; K233-A236 PolarHBondContact O-N 2.92Å; A236-V238 PolarHBondContact O-N 3.31Å; A236-G239 WeakPolarHBondContact O-CA 3.44Å; A236-G239 PolarHBondContact O-N 3.34Å; A236-L241 HydrophobicContact CB-CB 4.37Å; A236-L241 HydrophobicContact CB-CD2 4.11Å |
| 237 | D | 89.5 | Confident | 89.9 | Confident | 118 Ų | 118 | 82.3 Ų | 82.3 | 63% | 0.631 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.7 | -26.7 | 179.3 | -69 | -14.8 | 0 | 0 | 0 | 111.9 | K233 | K233-D237 WeakPolarHBondContact CE-OD2 3.45Å; K233-D237 WeakPolarHBondContact O-CB 3.46Å; K233-D237 VanDerWaalsContact O-CG 3.27Å; K233-D237 PolarHBondContact O-N 2.89Å |
| 238 | V | 89.2 | Confident | 90.3 | Very high | 107 Ų | 107 | 80.1 Ų | 80.1 | 65% | 0.648 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -1.4 | 172.4 | -177.7 | 0 | 0 | 0 | 0 | 112.2 | G234 A236 L240 | G234-V238 VanDerWaalsContact O-CG2 3.28Å; G234-V238 WeakPolarHBondContact O-CG2 3.48Å; G234-V238 PolarHBondContact O-N 3.33Å; A236-V238 PolarHBondContact O-N 3.31Å; V238-L240 VanDerWaalsContact C-N 3.27Å; V238-L240 HydrophobicContact CG1-CD1 3.88Å; V238-L240 HydrophobicContact CG1-CG 4.09Å; V238-L240 PolarHBondContact O-N 3.4Å |
| 239 | G | 88.9 | Confident | 90.5 | Very high | 61 Ų | 61 | 82 Ų | 82 | 63% | 0.629 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | -2.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | I235 A236 L241 | I235-G239 PolarHBondContact O-N 3.43Å; A236-G239 WeakPolarHBondContact O-CA 3.44Å; A236-G239 PolarHBondContact O-N 3.34Å; G239-L241 VanDerWaalsContact C-N 3.27Å; G239-L241 PolarHBondContact O-N 3.35Å |
| 240 | L | 90.4 | Very high | 90.8 | Very high | 79 Ų | 79 | 80.3 Ų | 80.3 | 41% | 0.414 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -6.5 | -174.1 | -64.9 | 173.5 | 0 | 0 | 0 | 113.9 | I235 V238 G242 E243 V244 | I235-L240 HydrophobicContact CG2-CB 4.27Å; I235-L240 PolarHBondContact O-N 2.91Å; V238-L240 VanDerWaalsContact C-N 3.27Å; V238-L240 HydrophobicContact CG1-CD1 3.88Å; V238-L240 HydrophobicContact CG1-CG 4.09Å; V238-L240 PolarHBondContact O-N 3.4Å; L240-G242 VanDerWaalsContact C-N 3.25Å; L240-G242 PolarHBondContact O-N 3.18Å; L240-E243 PolarHBondContact O-N 3.16Å; L240-E243 VanDerWaalsContact O-N 3.12Å; L240-V244 WeakPolarHBondContact O-CG2 3.31Å; L240-V244 PolarHBondContact O-N 3.2Å |
| 241 | L | 90.4 | Very high | 91 | Very high | 66 Ų | 66 | 81.3 Ų | 81.3 | 35% | 0.346 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -55.8 | -38 | -177.4 | -172.7 | 67.8 | 0 | 0 | 0 | 113.1 | W232 I235 A236 G239 V245 | W232-L241 HydrophobicContact CE3-CD1 3.67Å; W232-L241 HydrophobicContact CZ3-CD1 3.92Å; I235-L241 HydrophobicContact CG2-CB 4.11Å; I235-L241 HydrophobicContact CG2-CD1 4.14Å; I235-L241 PolarHBondContact O-N 3.14Å; A236-L241 HydrophobicContact CB-CB 4.37Å; A236-L241 HydrophobicContact CB-CD2 4.11Å; G239-L241 VanDerWaalsContact C-N 3.27Å; G239-L241 PolarHBondContact O-N 3.35Å; L241-V245 HydrophobicContact CD1-CG2 4.06Å; L241-V245 HydrophobicContact CG-CG2 4.25Å; L241-V245 VanDerWaalsContact O-CB 3.29Å; L241-V245 WeakPolarHBondContact O-CB 3.38Å; L241-V245 WeakPolarHBondContact O-CG2 3.37Å; L241-V245 PolarHBondContact O-N 3.33Å |
| 242 | G | 87.7 | Confident | 91.1 | Very high | 47 Ų | 47 | 80.6 Ų | 80.6 | 49% | 0.485 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L240 T246 | L240-G242 VanDerWaalsContact C-N 3.25Å; L240-G242 PolarHBondContact O-N 3.18Å; G242-T246 VanDerWaalsContact O-CB 3.28Å; G242-T246 WeakPolarHBondContact O-CB 3.4Å; G242-T246 PolarHBondContact O-N 2.9Å; G242-T246 PolarHBondContact O-OG1 2.94Å |
| 243 | E | 91.6 | Very high | 91.2 | Very high | 139 Ų | 139 | 80.5 Ų | 80.5 | 65% | 0.65 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -67.7 | -47 | 177.5 | -174.2 | 179.9 | 177.9 | 0 | 0 | 110.9 | L240 V245 T246 N247 | L240-E243 PolarHBondContact O-N 3.16Å; L240-E243 VanDerWaalsContact O-N 3.12Å; E243-V245 PolarHBondContact O-N 3.36Å; E243-T246 PolarHBondContact O-N 2.77Å; E243-N247 WeakPolarHBondContact O-CB 3.2Å; E243-N247 PolarHBondContact O-N 3.12Å |
| 244 | V | 93.9 | Very high | 91.3 | Very high | 45 Ų | 45 | 80.6 Ų | 80.6 | 27% | 0.273 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.5 | -45 | 178.8 | 174 | 0 | 0 | 0 | 0 | 111.5 | W232 I235 L240 N247 I248 | W232-V244 HydrophobicContact CH2-CG1 4.06Å; W232-V244 HydrophobicContact CZ3-CG1 3.8Å; I235-V244 HydrophobicContact CG2-CB 4.4Å; I235-V244 HydrophobicContact CG2-CG2 4.09Å; L240-V244 WeakPolarHBondContact O-CG2 3.31Å; L240-V244 PolarHBondContact O-N 3.2Å; V244-N247 PolarHBondContact O-N 3.35Å; V244-I248 HydrophobicContact CG1-CD1 3.74Å; V244-I248 WeakPolarHBondContact O-CB 3.27Å; V244-I248 WeakPolarHBondContact O-CD1 3.43Å; V244-I248 VanDerWaalsContact O-CG1 3.23Å; V244-I248 WeakPolarHBondContact O-CG1 3.31Å; V244-I248 PolarHBondContact O-N 2.89Å |
| 245 | V | 93.1 | Very high | 91.3 | Very high | 75 Ų | 75 | 85.2 Ų | 85.2 | 46% | 0.455 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.8 | -40.2 | 177.5 | 170.5 | 0 | 0 | 0 | 0 | 111.4 | L241 E243 I248 N249 | L241-V245 HydrophobicContact CD1-CG2 4.06Å; L241-V245 HydrophobicContact CG-CG2 4.25Å; L241-V245 VanDerWaalsContact O-CB 3.29Å; L241-V245 WeakPolarHBondContact O-CB 3.38Å; L241-V245 WeakPolarHBondContact O-CG2 3.37Å; L241-V245 PolarHBondContact O-N 3.33Å; E243-V245 PolarHBondContact O-N 3.36Å; V245-I248 PolarHBondContact O-N 2.95Å; V245-N249 VanDerWaalsContact O-CB 3.27Å; V245-N249 WeakPolarHBondContact O-CB 3.44Å; V245-N249 PolarHBondContact O-N 3.42Å |
| 246 | T | 91.5 | Very high | 91.3 | Very high | 89 Ų | 89 | 88.5 Ų | 88.5 | 55% | 0.546 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.4 | -39.7 | 177.3 | -57 | 0 | 0 | 0 | 0 | 111.5 | G242 E243 N249 T250 | G242-T246 VanDerWaalsContact O-CB 3.28Å; G242-T246 WeakPolarHBondContact O-CB 3.4Å; G242-T246 PolarHBondContact O-N 2.9Å; G242-T246 PolarHBondContact O-OG1 2.94Å; E243-T246 PolarHBondContact O-N 2.77Å; T246-N249 PolarHBondContact O-N 3.02Å; T246-T250 WeakPolarHBondContact O-CB 3.33Å; T246-T250 PolarHBondContact O-N 2.89Å; T246-T250 PolarHBondContact O-OG1 2.81Å |
| 247 | N | 93.1 | Very high | 91.2 | Very high | 93 Ų | 93 | 90.9 Ų | 90.9 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.1 | -45.6 | 176.1 | -170.3 | 68.1 | 0 | 0 | 0 | 111.7 | E243 V244 N249 T250 E251 | E243-N247 WeakPolarHBondContact O-CB 3.2Å; E243-N247 PolarHBondContact O-N 3.12Å; V244-N247 PolarHBondContact O-N 3.35Å; N247-N249 VanDerWaalsContact C-N 3.31Å; N247-N249 PolarHBondContact O-N 3.32Å; N247-T250 PolarHBondContact O-N 2.9Å; N247-E251 WeakPolarHBondContact O-CB 3.42Å; N247-E251 WeakPolarHBondContact O-CG 3.5Å; N247-E251 PolarHBondContact O-N 3.01Å |
| 248 | I | 94.3 | Very high | 91.1 | Very high | 83 Ų | 83 | 86.4 Ų | 86.4 | 43% | 0.426 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.6 | -41.9 | 174.4 | -71.1 | 167.1 | 0 | 0 | 0 | 111.2 | W232 V244 V245 L252 | W232-I248 HydrophobicContact CH2-CD1 3.91Å; V244-I248 HydrophobicContact CG1-CD1 3.74Å; V244-I248 WeakPolarHBondContact O-CB 3.27Å; V244-I248 WeakPolarHBondContact O-CD1 3.43Å; V244-I248 VanDerWaalsContact O-CG1 3.23Å; V244-I248 WeakPolarHBondContact O-CG1 3.31Å; V244-I248 PolarHBondContact O-N 2.89Å; V245-I248 PolarHBondContact O-N 2.95Å; I248-L252 WeakPolarHBondContact O-CB 3.23Å; I248-L252 PolarHBondContact O-N 2.85Å |
| 249 | N | 91.3 | Very high | 90.7 | Very high | 95 Ų | 95 | 84.8 Ų | 84.8 | 51% | 0.508 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 176.7 | -170 | -84.3 | 0 | 0 | 0 | 111.4 | V245 T246 N247 L252 I253 | V245-N249 VanDerWaalsContact O-CB 3.27Å; V245-N249 WeakPolarHBondContact O-CB 3.44Å; V245-N249 PolarHBondContact O-N 3.42Å; T246-N249 PolarHBondContact O-N 3.02Å; N247-N249 VanDerWaalsContact C-N 3.31Å; N247-N249 PolarHBondContact O-N 3.32Å; N249-L252 PolarHBondContact O-N 3.17Å; N249-I253 WeakPolarHBondContact O-CG1 2.86Å; N249-I253 PolarHBondContact O-N 3.14Å; N249-I253 VanDerWaalsContact OD1-CD1 3.26Å; N249-I253 WeakPolarHBondContact OD1-CD1 2.73Å |
| 250 | T | 93.5 | Very high | 90.1 | Very high | 58 Ų | 58 | 86.1 Ų | 86.1 | 36% | 0.356 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.8 | -47.7 | 179.3 | -58.9 | 0 | 0 | 0 | 0 | 112 | T246 N247 L252 I253 Q254 | T246-T250 WeakPolarHBondContact O-CB 3.33Å; T246-T250 PolarHBondContact O-N 2.89Å; T246-T250 PolarHBondContact O-OG1 2.81Å; N247-T250 PolarHBondContact O-N 2.9Å; T250-L252 VanDerWaalsContact C-N 3.33Å; T250-L252 PolarHBondContact O-N 3.25Å; T250-I253 PolarHBondContact O-N 2.87Å; T250-Q254 WeakPolarHBondContact O-CG 3.24Å; T250-Q254 PolarHBondContact O-N 2.94Å |
| 251 | E | 93.4 | Very high | 89.4 | Confident | 104 Ų | 104 | 88.1 Ų | 88.1 | 49% | 0.486 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.1 | -41.9 | 173.7 | -76.4 | -79.6 | 178 | 0 | 0 | 111.8 | N247 Q254 M255 | N247-E251 WeakPolarHBondContact O-CB 3.42Å; N247-E251 WeakPolarHBondContact O-CG 3.5Å; N247-E251 PolarHBondContact O-N 3.01Å; E251-Q254 PolarHBondContact O-N 2.92Å; E251-M255 VanDerWaalsContact O-CB 3.27Å; E251-M255 WeakPolarHBondContact O-CB 3.47Å; E251-M255 PolarHBondContact O-N 2.81Å |
| 252 | L | 92.8 | Very high | 88.3 | Confident | 109 Ų | 109 | 91.5 Ų | 91.5 | 57% | 0.571 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -68.5 | -37.4 | 178.6 | -165.2 | 155.4 | 0 | 0 | 0 | 111.6 | I248 N249 T250 L256 | I248-L252 WeakPolarHBondContact O-CB 3.23Å; I248-L252 PolarHBondContact O-N 2.85Å; N249-L252 PolarHBondContact O-N 3.17Å; T250-L252 VanDerWaalsContact C-N 3.33Å; T250-L252 PolarHBondContact O-N 3.25Å; L252-L256 WeakPolarHBondContact O-CB 3.29Å; L252-L256 PolarHBondContact O-N 3.39Å |
| 253 | I | 93.9 | Very high | 86.6 | Confident | 98 Ų | 98 | 99 Ų | 99 | 50% | 0.503 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.1 | -48 | 171.9 | -72 | 170.4 | 0 | 0 | 0 | 110.8 | N249 T250 M255 L256 D257 | N249-I253 WeakPolarHBondContact O-CG1 2.86Å; N249-I253 PolarHBondContact O-N 3.14Å; N249-I253 VanDerWaalsContact OD1-CD1 3.26Å; N249-I253 WeakPolarHBondContact OD1-CD1 2.73Å; T250-I253 PolarHBondContact O-N 2.87Å; I253-M255 VanDerWaalsContact C-N 3.29Å; I253-M255 PolarHBondContact O-N 2.85Å; I253-L256 PolarHBondContact O-N 3.19Å; I253-D257 WeakPolarHBondContact O-CB 3.37Å; I253-D257 PolarHBondContact O-N 2.88Å |
| 254 | Q | 91.4 | Very high | 84.6 | Confident | 121 Ų | 121 | 99.7 Ų | 99.7 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.2 | -36 | 177.2 | -71.7 | -178.1 | 31.4 | 0 | 0 | 112.2 | T250 E251 G258 | T250-Q254 WeakPolarHBondContact O-CG 3.24Å; T250-Q254 PolarHBondContact O-N 2.94Å; E251-Q254 PolarHBondContact O-N 2.92Å; Q254-G258 PolarHBondContact O-N 2.88Å |
| 255 | M | 90.1 | Very high | 82.5 | Confident | 129 Ų | 129 | 105.1 Ų | 105.1 | 64% | 0.635 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.6 | -40.5 | 175 | -168.6 | -175.7 | -54.1 | 0 | 0 | 112 | E251 I253 V259 | E251-M255 VanDerWaalsContact O-CB 3.27Å; E251-M255 WeakPolarHBondContact O-CB 3.47Å; E251-M255 PolarHBondContact O-N 2.81Å; I253-M255 VanDerWaalsContact C-N 3.29Å; I253-M255 PolarHBondContact O-N 2.85Å; M255-V259 VanDerWaalsContact O-CG2 3.32Å; M255-V259 WeakPolarHBondContact O-CG2 3.39Å; M255-V259 PolarHBondContact O-N 3.36Å |
| 256 | L | 88.9 | Confident | 80.4 | Confident | 98 Ų | 98 | 109 Ų | 109 | 51% | 0.513 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 175.4 | 179.9 | 62.2 | 0 | 0 | 0 | 111.4 | L252 I253 V259 L260 | L252-L256 WeakPolarHBondContact O-CB 3.29Å; L252-L256 PolarHBondContact O-N 3.39Å; I253-L256 PolarHBondContact O-N 3.19Å; L256-V259 WeakPolarHBondContact O-CB 3.48Å; L256-V259 PolarHBondContact O-N 3.25Å; L256-V259 VanDerWaalsContact O-N 3.15Å; L256-L260 HydrophobicContact CG-CD1 4.27Å; L256-L260 WeakPolarHBondContact O-CG 3.33Å; L256-L260 PolarHBondContact O-N 3.1Å |
| 257 | D | 87 | Confident | 78.5 | Confident | 95 Ų | 95 | 109.1 Ų | 109.1 | 51% | 0.508 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.2 | -46 | 175.2 | -170.6 | 58.9 | 0 | 0 | 0 | 111.1 | I253 V259 L260 Q261 | I253-D257 WeakPolarHBondContact O-CB 3.37Å; I253-D257 PolarHBondContact O-N 2.88Å; D257-V259 PolarHBondContact O-N 3.15Å; D257-L260 CarbonylContact O-C 3.48Å; D257-L260 WeakPolarHBondContact O-CA 3.32Å; D257-L260 PolarHBondContact O-N 3.24Å; D257-Q261 WeakPolarHBondContact O-CB 3.28Å; D257-Q261 PolarHBondContact O-N 3.11Å |
| 258 | G | 85.9 | Confident | 76.7 | Confident | 23 Ų | 23 | 110.1 Ų | 110.1 | 24% | 0.237 | 56% | 0.558 | C | S | . | * | H | α-helix | trans | -62 | -24 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q254 R262 | Q254-G258 PolarHBondContact O-N 2.88Å; G258-R262 WeakPolarHBondContact O-CG 3.37Å; G258-R262 PolarHBondContact O-N 2.94Å; G258-R262 PolarHBondContact O-NH1 3.43Å; G258-R262 VanDerWaalsContact O-NH1 3.07Å |
| 259 | V | 81.7 | Confident | 75.4 | Confident | 73 Ų | 73 | 112.5 Ų | 112.5 | 44% | 0.442 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -80.1 | -38.7 | 170 | 166.8 | 0 | 0 | 0 | 0 | 111.3 | M255 L256 D257 R262 R263 | M255-V259 VanDerWaalsContact O-CG2 3.32Å; M255-V259 WeakPolarHBondContact O-CG2 3.39Å; M255-V259 PolarHBondContact O-N 3.36Å; L256-V259 WeakPolarHBondContact O-CB 3.48Å; L256-V259 PolarHBondContact O-N 3.25Å; L256-V259 VanDerWaalsContact O-N 3.15Å; D257-V259 PolarHBondContact O-N 3.15Å; V259-R262 PolarHBondContact O-N 3.2Å; V259-R263 PolarHBondContact O-N 3.07Å |
| 260 | L | 76.5 | Confident | 74.2 | Confident | 89 Ų | 89 | 115 Ų | 115 | 47% | 0.466 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.1 | -39.1 | 175.2 | -71.1 | 169.9 | 0 | 0 | 0 | 111.9 | L256 D257 R262 R263 | L256-L260 HydrophobicContact CG-CD1 4.27Å; L256-L260 WeakPolarHBondContact O-CG 3.33Å; L256-L260 PolarHBondContact O-N 3.1Å; D257-L260 CarbonylContact O-C 3.48Å; D257-L260 WeakPolarHBondContact O-CA 3.32Å; D257-L260 PolarHBondContact O-N 3.24Å; L260-R262 VanDerWaalsContact C-N 3.34Å; L260-R262 PolarHBondContact O-N 3.13Å; L260-R263 WeakPolarHBondContact O-CB 3.43Å; L260-R263 PolarHBondContact O-N 3.25Å; L260-R263 VanDerWaalsContact O-N 3.09Å |
| 261 | Q | 74.6 | Confident | 73 | Confident | 122 Ų | 122 | 116.5 Ų | 116.5 | 57% | 0.57 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.5 | -35.3 | 174.9 | -165.3 | 70.6 | 77.9 | 0 | 0 | 111.8 | D257 R263 | D257-Q261 WeakPolarHBondContact O-CB 3.28Å; D257-Q261 PolarHBondContact O-N 3.11Å; Q261-R263 PolarHBondContact O-N 3.21Å |
| 262 | R | 67.5 | Low | 72.2 | Confident | 136 Ų | 136 | 114.9 Ų | 114.9 | 51% | 0.513 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -68.1 | -15.2 | 172.2 | -77.3 | -165.6 | -59.4 | -87.2 | 8.9 | 113.6 | G258 V259 L260 E264 Q265 | G258-R262 WeakPolarHBondContact O-CG 3.37Å; G258-R262 PolarHBondContact O-N 2.94Å; G258-R262 PolarHBondContact O-NH1 3.43Å; G258-R262 VanDerWaalsContact O-NH1 3.07Å; V259-R262 PolarHBondContact O-N 3.2Å; L260-R262 VanDerWaalsContact C-N 3.34Å; L260-R262 PolarHBondContact O-N 3.13Å; R262-E264 PolarHBondContact O-N 3.02Å; R262-Q265 PolarHBondContact O-N 3.25Å |
| 263 | R | 51.9 | Low | 71.5 | Confident | 204 Ų | 204 | 113.2 Ų | 113.2 | 77% | 0.77 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -23.6 | -179.9 | -168.5 | -179.3 | 168.8 | -161.1 | -6.7 | 113.9 | V259 L260 Q261 Q265 | V259-R263 PolarHBondContact O-N 3.07Å; L260-R263 WeakPolarHBondContact O-CB 3.43Å; L260-R263 PolarHBondContact O-N 3.25Å; L260-R263 VanDerWaalsContact O-N 3.09Å; Q261-R263 PolarHBondContact O-N 3.21Å; R263-Q265 VanDerWaalsContact C-N 3.26Å |
| 264 | E | 51.1 | Low | 70.8 | Confident | 155 Ų | 155 | 110.8 Ų | 110.8 | 72% | 0.724 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -13.1 | 174 | -65.5 | -167.7 | 120.3 | 0 | 0 | 113.1 | R262 | R262-E264 PolarHBondContact O-N 3.02Š|
| 265 | Q | 48.9 | Very low | 70.3 | Confident | 159 Ų | 159 | 109.6 Ų | 109.6 | 74% | 0.743 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -97.7 | 112.3 | 174 | -63.3 | -172.7 | -1.7 | 0 | 0 | 109 | R262 R263 | R262-Q265 PolarHBondContact O-N 3.25Å; R263-Q265 VanDerWaalsContact C-N 3.26Å |
| 266 | N | 48.2 | Very low | 69.9 | Low | 157 Ų | 157 | 108.1 Ų | 108.1 | 84% | 0.84 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -64.1 | 150.2 | -164 | -74.1 | -76.3 | 0 | 0 | 0 | 114.7 | ||
| 267 | A | 51.6 | Low | 69.6 | Low | 91 Ų | 91 | 105.9 Ų | 105.9 | 75% | 0.752 | 56% | 0.559 | S | S | * | * | trans | 66.4 | 99 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q269 | A267-Q269 PolarHBondContact O-N 2.76Š| ||
| 268 | L | 55.9 | Low | 69.3 | Low | 114 Ų | 114 | 106 Ų | 106 | 60% | 0.597 | 56% | 0.56 | S | S | * | * | trans | -50 | 134.5 | 158.3 | -74.4 | 165.3 | 0 | 0 | 0 | 109.6 | E272 V273 | L268-E272 WeakPolarHBondContact CA-OE2 3.22Å; L268-E272 HydrophobicContact CD2-CB 4.26Å; L268-V273 HydrophobicContact CB-CG2 4.13Å | ||
| 269 | Q | 66.4 | Low | 69.2 | Low | 133 Ų | 133 | 109.4 Ų | 109.4 | 62% | 0.621 | 57% | 0.572 | S | S | * | * | trans | -75.1 | 150.6 | 178.2 | -58.9 | -173.2 | 12.8 | 0 | 0 | 110.5 | A267 T271 E272 V273 | A267-Q269 PolarHBondContact O-N 2.76Å; Q269-T271 WeakPolarHBondContact CB-OG1 3.42Å; Q269-T271 PolarHBondContact O-N 2.7Å; Q269-E272 HydrophobicContact CB-CG 4.35Å; Q269-E272 PolarHBondContact N-OE2 3.34Å; Q269-E272 WeakPolarHBondContact O-CA 3.41Å; Q269-E272 WeakPolarHBondContact O-CB 3.42Å; Q269-E272 PolarHBondContact O-N 3.01Å; Q269-V273 PolarHBondContact O-N 3.44Å | ||
| 270 | D | 66.3 | Low | 69.1 | Low | 146 Ų | 146 | 106.5 Ų | 106.5 | 78% | 0.781 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -55.2 | -29.2 | 179.7 | -62.4 | -54.9 | 0 | 0 | 0 | 112.7 | A274 | D270-A274 VanDerWaalsContact O-CB 3.31Å; D270-A274 WeakPolarHBondContact O-CB 3.22Å; D270-A274 PolarHBondContact O-N 3.46Å |
| 271 | T | 68.4 | Low | 69.1 | Low | 91 Ų | 91 | 108.2 Ų | 108.2 | 56% | 0.558 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.6 | -42.5 | 172 | 43.6 | 0 | 0 | 0 | 0 | 113.2 | Q269 A274 V275 | Q269-T271 WeakPolarHBondContact CB-OG1 3.42Å; Q269-T271 PolarHBondContact O-N 2.7Å; T271-A274 PolarHBondContact O-N 3.3Å; T271-V275 WeakPolarHBondContact O-CG2 3.41Å; T271-V275 PolarHBondContact O-N 3.33Å |
| 272 | E | 76.3 | Confident | 69.1 | Low | 70 Ų | 70 | 108 Ų | 108 | 33% | 0.327 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69.4 | -39.9 | 177 | -60.8 | 176.9 | 121.4 | 0 | 0 | 110.6 | L268 Q269 V275 L276 | L268-E272 WeakPolarHBondContact CA-OE2 3.22Å; L268-E272 HydrophobicContact CD2-CB 4.26Å; Q269-E272 HydrophobicContact CB-CG 4.35Å; Q269-E272 PolarHBondContact N-OE2 3.34Å; Q269-E272 WeakPolarHBondContact O-CA 3.41Å; Q269-E272 WeakPolarHBondContact O-CB 3.42Å; Q269-E272 PolarHBondContact O-N 3.01Å; E272-V275 PolarHBondContact O-N 3.04Å; E272-L276 WeakPolarHBondContact O-CB 3.5Å; E272-L276 VanDerWaalsContact O-CG 3.31Å; E272-L276 WeakPolarHBondContact O-CG 3.4Å; E272-L276 PolarHBondContact O-N 3.21Å |
| 273 | V | 78.9 | Confident | 69.7 | Low | 73 Ų | 73 | 108 Ų | 108 | 44% | 0.442 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.9 | -43.6 | 173.3 | -179.6 | 0 | 0 | 0 | 0 | 111 | L268 Q269 L276 S277 | L268-V273 HydrophobicContact CB-CG2 4.13Å; Q269-V273 PolarHBondContact O-N 3.44Å; V273-L276 PolarHBondContact O-N 3.31Å; V273-S277 WeakPolarHBondContact O-CB 3.38Å; V273-S277 PolarHBondContact O-N 3.01Å |
| 274 | A | 78.4 | Confident | 71.1 | Confident | 47 Ų | 47 | 101 Ų | 101 | 39% | 0.388 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.6 | -42.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D270 T271 S277 N278 | D270-A274 VanDerWaalsContact O-CB 3.31Å; D270-A274 WeakPolarHBondContact O-CB 3.22Å; D270-A274 PolarHBondContact O-N 3.46Å; T271-A274 PolarHBondContact O-N 3.3Å; A274-S277 PolarHBondContact O-N 2.99Å; A274-N278 WeakPolarHBondContact O-CB 3.33Å; A274-N278 VanDerWaalsContact O-CG 3.27Å; A274-N278 PolarHBondContact O-N 3.05Å; A274-N278 PolarHBondContact O-ND2 3.07Å |
| 275 | V | 82.1 | Confident | 72.7 | Confident | 96 Ų | 96 | 97.8 Ų | 97.8 | 58% | 0.582 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.4 | -45.2 | 175.4 | 168.3 | 0 | 0 | 0 | 0 | 111.1 | T271 E272 S277 N278 L279 | T271-V275 WeakPolarHBondContact O-CG2 3.41Å; T271-V275 PolarHBondContact O-N 3.33Å; E272-V275 PolarHBondContact O-N 3.04Å; V275-S277 PolarHBondContact O-N 2.85Å; V275-N278 PolarHBondContact O-N 2.84Å; V275-L279 WeakPolarHBondContact O-CB 3.45Å; V275-L279 PolarHBondContact O-N 3.25Å |
| 276 | L | 81.1 | Confident | 74.2 | Confident | 98 Ų | 98 | 93 Ų | 93 | 51% | 0.513 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.5 | -38.6 | 177 | -72.6 | 167.7 | 0 | 0 | 0 | 112.3 | E272 V273 A280 | E272-L276 WeakPolarHBondContact O-CB 3.5Å; E272-L276 VanDerWaalsContact O-CG 3.31Å; E272-L276 WeakPolarHBondContact O-CG 3.4Å; E272-L276 PolarHBondContact O-N 3.21Å; V273-L276 PolarHBondContact O-N 3.31Å; L276-A280 VanDerWaalsContact O-CB 3.27Å; L276-A280 WeakPolarHBondContact O-CB 3.4Å; L276-A280 PolarHBondContact O-N 2.77Å |
| 277 | S | 82.2 | Confident | 75.6 | Confident | 52 Ų | 52 | 91.1 Ų | 91.1 | 36% | 0.364 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.5 | -46.4 | 174.4 | -172.1 | 0 | 0 | 0 | 0 | 111.7 | V273 A274 V275 A280 Q281 | V273-S277 WeakPolarHBondContact O-CB 3.38Å; V273-S277 PolarHBondContact O-N 3.01Å; A274-S277 PolarHBondContact O-N 2.99Å; V275-S277 PolarHBondContact O-N 2.85Å; S277-A280 PolarHBondContact O-N 2.9Å; S277-Q281 WeakPolarHBondContact O-CB 3.17Å; S277-Q281 PolarHBondContact O-N 3.42Å |
| 278 | N | 82.1 | Confident | 77.1 | Confident | 97 Ų | 97 | 89.9 Ų | 89.9 | 52% | 0.519 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 177.9 | -72.4 | -24.3 | 0 | 0 | 0 | 111.7 | A274 V275 Q281 V282 | A274-N278 WeakPolarHBondContact O-CB 3.33Å; A274-N278 VanDerWaalsContact O-CG 3.27Å; A274-N278 PolarHBondContact O-N 3.05Å; A274-N278 PolarHBondContact O-ND2 3.07Å; V275-N278 PolarHBondContact O-N 2.84Å; N278-Q281 PolarHBondContact O-N 3.23Å; N278-V282 WeakPolarHBondContact O-CG2 3.49Å; N278-V282 PolarHBondContact O-N 2.91Å |
| 279 | L | 83.1 | Confident | 78.4 | Confident | 94 Ų | 94 | 87.4 Ų | 87.4 | 49% | 0.492 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 176.7 | -164.6 | 70.3 | 0 | 0 | 0 | 111.2 | V275 Q281 V282 F283 | V275-L279 WeakPolarHBondContact O-CB 3.45Å; V275-L279 PolarHBondContact O-N 3.25Å; L279-Q281 PolarHBondContact O-N 2.95Å; L279-V282 PolarHBondContact O-N 3.05Å; L279-F283 HydrophobicContact CD1-CD2 4.23Å; L279-F283 HydrophobicContact CD1-CE2 3.71Å; L279-F283 HydrophobicContact CG-CD2 4.13Å; L279-F283 HydrophobicContact CG-CE2 4.04Å; L279-F283 VanDerWaalsContact O-CD2 3.28Å; L279-F283 WeakPolarHBondContact O-CD2 3.27Å; L279-F283 PolarHBondContact O-N 3.19Å; L279-F283 VanDerWaalsContact O-N 3.14Å |
| 280 | A | 78.9 | Confident | 79.2 | Confident | 12 Ų | 12 | 87.8 Ų | 87.8 | 10% | 0.099 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -63.7 | -29.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L276 S277 G284 L285 L286 V289 | L276-A280 VanDerWaalsContact O-CB 3.27Å; L276-A280 WeakPolarHBondContact O-CB 3.4Å; L276-A280 PolarHBondContact O-N 2.77Å; S277-A280 PolarHBondContact O-N 2.9Å; A280-G284 CarbonylContact O-C 3.55Å; A280-G284 PolarHBondContact O-N 2.81Å; A280-L285 HydrophobicContact CB-CB 4.42Å; A280-L285 PolarHBondContact O-N 3.43Å; A280-L286 HydrophobicContact CB-CD2 3.82Å; A280-L286 HydrophobicContact CB-CG 4.13Å; A280-L286 PolarHBondContact O-N 3.45Å; A280-V289 HydrophobicContact CB-CG2 4.3Å |
| 281 | Q | 77.9 | Confident | 80.1 | Confident | 126 Ų | 126 | 88.6 Ų | 88.6 | 59% | 0.589 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -74.5 | -43.2 | 175.4 | -166.5 | 162.6 | -4.3 | 0 | 0 | 112.1 | S277 N278 L279 F283 G284 L286 | S277-Q281 WeakPolarHBondContact O-CB 3.17Å; S277-Q281 PolarHBondContact O-N 3.42Å; N278-Q281 PolarHBondContact O-N 3.23Å; L279-Q281 PolarHBondContact O-N 2.95Å; Q281-F283 VanDerWaalsContact C-N 3.28Å; Q281-F283 PolarHBondContact O-N 2.95Å; Q281-G284 PolarHBondContact O-N 2.83Å; Q281-G284 VanDerWaalsContact O-N 3.12Å; Q281-L286 HydrophobicContact CB-CD1 3.7Å; Q281-L286 HydrophobicContact CB-CG 4.18Å; Q281-L286 HydrophobicContact CG-CD1 3.8Å |
| 282 | V | 74.4 | Confident | 80.9 | Confident | 118 Ų | 118 | 88.9 Ų | 88.9 | 72% | 0.715 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.5 | -37.4 | 176.2 | 167.5 | 0 | 0 | 0 | 0 | 111.9 | N278 L279 | N278-V282 WeakPolarHBondContact O-CG2 3.49Å; N278-V282 PolarHBondContact O-N 2.91Å; L279-V282 PolarHBondContact O-N 3.05Å |
| 283 | F | 79.4 | Confident | 81.3 | Confident | 135 Ų | 135 | 89.9 Ų | 89.9 | 59% | 0.592 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | 4.6 | 176.9 | -66.7 | -64.3 | 0 | 0 | 0 | 114.7 | L279 Q281 L285 | L279-F283 HydrophobicContact CD1-CD2 4.23Å; L279-F283 HydrophobicContact CD1-CE2 3.71Å; L279-F283 HydrophobicContact CG-CD2 4.13Å; L279-F283 HydrophobicContact CG-CE2 4.04Å; L279-F283 VanDerWaalsContact O-CD2 3.28Å; L279-F283 WeakPolarHBondContact O-CD2 3.27Å; L279-F283 PolarHBondContact O-N 3.19Å; L279-F283 VanDerWaalsContact O-N 3.14Å; Q281-F283 VanDerWaalsContact C-N 3.28Å; Q281-F283 PolarHBondContact O-N 2.95Å; F283-L285 HydrophobicContact CB-CD1 3.84Å; F283-L285 HydrophobicContact CB-CG 3.81Å; F283-L285 PolarHBondContact O-N 2.84Å; F283-L285 VanDerWaalsContact O-N 3.16Å |
| 284 | G | 82.4 | Confident | 81.6 | Confident | 58 Ų | 58 | 90.4 Ų | 90.4 | 60% | 0.598 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | 14 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | A280 Q281 L286 | A280-G284 CarbonylContact O-C 3.55Å; A280-G284 PolarHBondContact O-N 2.81Å; Q281-G284 PolarHBondContact O-N 2.83Å; Q281-G284 VanDerWaalsContact O-N 3.12Å; G284-L286 VanDerWaalsContact C-N 3.35Å |
| 285 | L | 83.9 | Confident | 81.8 | Confident | 86 Ų | 86 | 95.4 Ų | 95.4 | 45% | 0.45 | 51% | 0.506 | S | S | . | . | trans | -82.6 | -5.8 | -175.7 | -62.5 | 176.9 | 0 | 0 | 0 | 113.8 | A280 F283 D287 S288 V289 | A280-L285 HydrophobicContact CB-CB 4.42Å; A280-L285 PolarHBondContact O-N 3.43Å; F283-L285 HydrophobicContact CB-CD1 3.84Å; F283-L285 HydrophobicContact CB-CG 3.81Å; F283-L285 PolarHBondContact O-N 2.84Å; F283-L285 VanDerWaalsContact O-N 3.16Å; L285-D287 VanDerWaalsContact C-N 3.32Å; L285-D287 PolarHBondContact O-N 2.94Å; L285-S288 WeakPolarHBondContact O-CA 3.49Å; L285-S288 WeakPolarHBondContact O-CB 3.35Å; L285-S288 PolarHBondContact O-N 2.82Å; L285-V289 HydrophobicContact CB-CG2 4.43Å; L285-V289 WeakPolarHBondContact O-CG2 3.46Å; L285-V289 PolarHBondContact O-N 3.48Å | ||
| 286 | L | 79.6 | Confident | 81.8 | Confident | 60 Ų | 60 | 97.7 Ų | 97.7 | 31% | 0.314 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -51.1 | -45.2 | -177.1 | -82.1 | 177.2 | 0 | 0 | 0 | 113.5 | A280 Q281 G284 V289 K290 | A280-L286 HydrophobicContact CB-CD2 3.82Å; A280-L286 HydrophobicContact CB-CG 4.13Å; A280-L286 PolarHBondContact O-N 3.45Å; Q281-L286 HydrophobicContact CB-CD1 3.7Å; Q281-L286 HydrophobicContact CB-CG 4.18Å; Q281-L286 HydrophobicContact CG-CD1 3.8Å; G284-L286 VanDerWaalsContact C-N 3.35Å; L286-V289 PolarHBondContact O-N 3.34Å; L286-K290 WeakPolarHBondContact O-CB 3.33Å; L286-K290 PolarHBondContact O-N 3.25Å |
| 287 | D | 78.9 | Confident | 81.8 | Confident | 116 Ų | 116 | 98 Ų | 98 | 62% | 0.62 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -70.4 | -32.3 | 179.2 | -74.6 | -60.9 | 0 | 0 | 0 | 112.9 | L285 K291 | L285-D287 VanDerWaalsContact C-N 3.32Å; L285-D287 PolarHBondContact O-N 2.94Å; D287-K291 WeakPolarHBondContact O-CB 3.46Å; D287-K291 PolarHBondContact O-N 3.31Å |
| 288 | S | 81.7 | Confident | 81.6 | Confident | 66 Ų | 66 | 101.4 Ų | 101.4 | 46% | 0.462 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.8 | -45.9 | 172 | -66.7 | 0 | 0 | 0 | 0 | 111.6 | L285 K291 I292 | L285-S288 WeakPolarHBondContact O-CA 3.49Å; L285-S288 WeakPolarHBondContact O-CB 3.35Å; L285-S288 PolarHBondContact O-N 2.82Å; S288-K291 PolarHBondContact O-N 3.47Å; S288-I292 WeakPolarHBondContact O-CB 3.44Å; S288-I292 WeakPolarHBondContact O-CD1 3.26Å; S288-I292 VanDerWaalsContact O-CG1 3.25Å; S288-I292 WeakPolarHBondContact O-CG1 3.31Å; S288-I292 PolarHBondContact O-N 3.33Å |
| 289 | V | 84 | Confident | 81.5 | Confident | 62 Ų | 62 | 103.5 Ų | 103.5 | 38% | 0.376 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.4 | -46.5 | 175.5 | 172 | 0 | 0 | 0 | 0 | 110.3 | A280 L285 L286 K291 I292 L293 | A280-V289 HydrophobicContact CB-CG2 4.3Å; L285-V289 HydrophobicContact CB-CG2 4.43Å; L285-V289 WeakPolarHBondContact O-CG2 3.46Å; L285-V289 PolarHBondContact O-N 3.48Å; L286-V289 PolarHBondContact O-N 3.34Å; V289-K291 PolarHBondContact O-N 3.38Å; V289-I292 PolarHBondContact O-N 3.18Å; V289-L293 HydrophobicContact CG1-CD1 3.82Å; V289-L293 HydrophobicContact CG1-CG 4.28Å; V289-L293 WeakPolarHBondContact O-CB 3.27Å; V289-L293 VanDerWaalsContact O-CG 3.3Å; V289-L293 WeakPolarHBondContact O-CG 3.34Å; V289-L293 PolarHBondContact O-N 2.88Å |
| 290 | K | 83.8 | Confident | 81.3 | Confident | 140 Ų | 140 | 102 Ų | 102 | 61% | 0.609 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.1 | -45.3 | 175 | 179.2 | -179.3 | 173.1 | -171 | 0 | 112 | L286 I292 L293 E294 | L286-K290 WeakPolarHBondContact O-CB 3.33Å; L286-K290 PolarHBondContact O-N 3.25Å; K290-I292 PolarHBondContact O-N 2.78Å; K290-L293 PolarHBondContact O-N 3.15Å; K290-E294 VanDerWaalsContact O-CB 3.24Å; K290-E294 WeakPolarHBondContact O-CB 3.28Å; K290-E294 PolarHBondContact O-N 3.25Å |
| 291 | K | 85.4 | Confident | 81.4 | Confident | 163 Ų | 163 | 104.5 Ų | 104.5 | 71% | 0.709 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.3 | -37.3 | 176.7 | -172.8 | 176.6 | -176.9 | 178.5 | 0 | 112.5 | D287 S288 V289 K295 | D287-K291 WeakPolarHBondContact O-CB 3.46Å; D287-K291 PolarHBondContact O-N 3.31Å; S288-K291 PolarHBondContact O-N 3.47Å; V289-K291 PolarHBondContact O-N 3.38Å; K291-K295 WeakPolarHBondContact O-CB 3.44Å; K291-K295 PolarHBondContact O-N 3.06Å |
| 292 | I | 85.6 | Confident | 81.4 | Confident | 98 Ų | 98 | 101.1 Ų | 101.1 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -71.8 | -41.8 | 176 | -69.4 | 164.6 | 0 | 0 | 0 | 111.2 | S288 V289 K290 R296 | S288-I292 WeakPolarHBondContact O-CB 3.44Å; S288-I292 WeakPolarHBondContact O-CD1 3.26Å; S288-I292 VanDerWaalsContact O-CG1 3.25Å; S288-I292 WeakPolarHBondContact O-CG1 3.31Å; S288-I292 PolarHBondContact O-N 3.33Å; V289-I292 PolarHBondContact O-N 3.18Å; K290-I292 PolarHBondContact O-N 2.78Å; I292-R296 WeakPolarHBondContact O-CB 3.42Å; I292-R296 PolarHBondContact O-N 3.13Å |
| 293 | L | 84.7 | Confident | 81.5 | Confident | 91 Ų | 91 | 97.9 Ų | 97.9 | 48% | 0.476 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.5 | -43.5 | 175.8 | -74 | 174.1 | 0 | 0 | 0 | 111.6 | V289 K290 R296 K297 | V289-L293 HydrophobicContact CG1-CD1 3.82Å; V289-L293 HydrophobicContact CG1-CG 4.28Å; V289-L293 WeakPolarHBondContact O-CB 3.27Å; V289-L293 VanDerWaalsContact O-CG 3.3Å; V289-L293 WeakPolarHBondContact O-CG 3.34Å; V289-L293 PolarHBondContact O-N 2.88Å; K290-L293 PolarHBondContact O-N 3.15Å; L293-R296 PolarHBondContact O-N 3.3Å; L293-K297 VanDerWaalsContact O-CB 3.27Å; L293-K297 WeakPolarHBondContact O-CB 3.37Å; L293-K297 PolarHBondContact O-N 3.42Å |
| 294 | E | 83.6 | Confident | 81.6 | Confident | 83 Ų | 83 | 96.5 Ų | 96.5 | 39% | 0.388 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 176.8 | -173.2 | 57.7 | -143.9 | 0 | 0 | 111.1 | K290 R296 K297 Q298 | K290-E294 VanDerWaalsContact O-CB 3.24Å; K290-E294 WeakPolarHBondContact O-CB 3.28Å; K290-E294 PolarHBondContact O-N 3.25Å; E294-R296 PolarHBondContact O-N 2.9Å; E294-K297 PolarHBondContact O-N 3.2Å; E294-Q298 WeakPolarHBondContact O-CB 3.39Å; E294-Q298 VanDerWaalsContact O-CG 3.27Å; E294-Q298 WeakPolarHBondContact O-CG 3.5Å; E294-Q298 PolarHBondContact O-N 3.17Å; E294-Q298 PolarHBondContact OE1-NE2 3.13Å |
| 295 | K | 83.9 | Confident | 81.7 | Confident | 152 Ų | 152 | 100.2 Ų | 100.2 | 66% | 0.661 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.8 | -42.7 | 172.2 | -176.7 | 177.4 | 178.3 | -179 | 0 | 112.3 | K291 Q298 Q299 | K291-K295 WeakPolarHBondContact O-CB 3.44Å; K291-K295 PolarHBondContact O-N 3.06Å; K295-Q298 PolarHBondContact O-N 3.48Å; K295-Q299 PolarHBondContact O-N 3.32Å; K295-Q299 VanDerWaalsContact O-N 3.13Å |
| 296 | R | 81.6 | Confident | 81.8 | Confident | 144 Ų | 144 | 102.3 Ų | 102.3 | 54% | 0.543 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.9 | -44.2 | 177.1 | -175.6 | -177.9 | -67.1 | 143.7 | -1 | 110.8 | I292 L293 E294 Q299 T300 | I292-R296 WeakPolarHBondContact O-CB 3.42Å; I292-R296 PolarHBondContact O-N 3.13Å; L293-R296 PolarHBondContact O-N 3.3Å; E294-R296 PolarHBondContact O-N 2.9Å; R296-Q299 CarbonylContact O-C 3.55Å; R296-Q299 WeakPolarHBondContact O-CB 3.46Å; R296-Q299 PolarHBondContact O-N 3.48Å; R296-Q299 VanDerWaalsContact O-N 3.1Å; R296-T300 WeakPolarHBondContact O-CB 3.37Å; R296-T300 PolarHBondContact O-N 3.4Å; R296-T300 PolarHBondContact O-OG1 3.19Å |
| 297 | K | 81.8 | Confident | 82.2 | Confident | 106 Ų | 106 | 104.4 Ų | 104.4 | 46% | 0.461 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -57.2 | -50.9 | 174.4 | 179.7 | -170.8 | 167.2 | -162.3 | 0 | 110.9 | L293 E294 Q299 T300 D301 | L293-K297 VanDerWaalsContact O-CB 3.27Å; L293-K297 WeakPolarHBondContact O-CB 3.37Å; L293-K297 PolarHBondContact O-N 3.42Å; E294-K297 PolarHBondContact O-N 3.2Å; K297-Q299 PolarHBondContact O-N 2.98Å; K297-Q299 VanDerWaalsContact O-N 3.11Å; K297-T300 PolarHBondContact O-N 3.09Å; K297-D301 WeakPolarHBondContact CE-OD2 3.34Å; K297-D301 WeakPolarHBondContact CG-OD2 3.16Å; K297-D301 WeakPolarHBondContact O-CB 3.38Å; K297-D301 PolarHBondContact O-N 2.9Å |
| 298 | Q | 78.2 | Confident | 82.5 | Confident | 123 Ų | 123 | 103.4 Ų | 103.4 | 58% | 0.575 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.2 | -18.2 | 177.2 | -70.4 | 172.1 | 12.5 | 0 | 0 | 114 | E294 K295 P302 | E294-Q298 WeakPolarHBondContact O-CB 3.39Å; E294-Q298 VanDerWaalsContact O-CG 3.27Å; E294-Q298 WeakPolarHBondContact O-CG 3.5Å; E294-Q298 PolarHBondContact O-N 3.17Å; E294-Q298 PolarHBondContact OE1-NE2 3.13Å; K295-Q298 PolarHBondContact O-N 3.48Å; Q298-P302 VanDerWaalsContact O-CD 3.25Å; Q298-P302 WeakPolarHBondContact O-CD 3.34Å; Q298-P302 WeakPolarHBondContact O-CG 3.24Å |
| 299 | Q | 78.6 | Confident | 82.9 | Confident | 141 Ų | 141 | 103.9 Ų | 103.9 | 66% | 0.659 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -89.6 | -32.5 | 170.9 | -171 | 176.7 | 4.1 | 0 | 0 | 112.6 | K295 R296 K297 S303 | K295-Q299 PolarHBondContact O-N 3.32Å; K295-Q299 VanDerWaalsContact O-N 3.13Å; R296-Q299 CarbonylContact O-C 3.55Å; R296-Q299 WeakPolarHBondContact O-CB 3.46Å; R296-Q299 PolarHBondContact O-N 3.48Å; R296-Q299 VanDerWaalsContact O-N 3.1Å; K297-Q299 PolarHBondContact O-N 2.98Å; K297-Q299 VanDerWaalsContact O-N 3.11Å; Q299-S303 PolarHBondContact O-OG 3.12Å |
| 300 | T | 79.4 | Confident | 83.3 | Confident | 63 Ų | 63 | 104.7 Ų | 104.7 | 39% | 0.387 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -89.8 | -44.6 | -174.8 | -53.7 | 0 | 0 | 0 | 0 | 113.2 | R296 K297 S303 Q304 | R296-T300 WeakPolarHBondContact O-CB 3.37Å; R296-T300 PolarHBondContact O-N 3.4Å; R296-T300 PolarHBondContact O-OG1 3.19Å; K297-T300 PolarHBondContact O-N 3.09Å; T300-S303 PolarHBondContact O-N 3.43Å; T300-S303 PolarHBondContact O-OG 3.23Å; T300-Q304 WeakPolarHBondContact O-CB 3.25Å; T300-Q304 PolarHBondContact O-N 2.79Å |
| 301 | D | 80.6 | Confident | 83.7 | Confident | 64 Ų | 64 | 102.4 Ų | 102.4 | 34% | 0.342 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -50.8 | -56 | 176.9 | -88.3 | -19.1 | 0 | 0 | 0 | 112.4 | K297 S303 Q304 E305 | K297-D301 WeakPolarHBondContact CE-OD2 3.34Å; K297-D301 WeakPolarHBondContact CG-OD2 3.16Å; K297-D301 WeakPolarHBondContact O-CB 3.38Å; K297-D301 PolarHBondContact O-N 2.9Å; D301-S303 VanDerWaalsContact C-N 3.28Å; D301-S303 PolarHBondContact O-N 3.49Å; D301-Q304 CarbonylContact O-C 3.52Å; D301-Q304 PolarHBondContact O-N 2.84Å; D301-Q304 VanDerWaalsContact O-N 3.09Å; D301-E305 WeakPolarHBondContact O-CB 3.48Å; D301-E305 WeakPolarHBondContact O-CG 3.43Å; D301-E305 PolarHBondContact O-N 3.42Å |
| 302 | P | 77.9 | Confident | 84 | Confident | 54 Ų | 54 | 98.2 Ų | 98.2 | 35% | 0.351 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.8 | -29.9 | -177.1 | 25.7 | -35 | 0 | 0 | 0 | 112.9 | Q298 Q306 | Q298-P302 VanDerWaalsContact O-CD 3.25Å; Q298-P302 WeakPolarHBondContact O-CD 3.34Å; Q298-P302 WeakPolarHBondContact O-CG 3.24Å; P302-Q306 VanDerWaalsContact O-CB 3.28Å; P302-Q306 WeakPolarHBondContact O-CB 3.35Å; P302-Q306 WeakPolarHBondContact O-CG 3.09Å; P302-Q306 PolarHBondContact O-N 3.38Å |
| 303 | S | 77.5 | Confident | 84.5 | Confident | 51 Ų | 51 | 98.6 Ų | 98.6 | 36% | 0.357 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -72.8 | -37.3 | 173.3 | 61.8 | 0 | 0 | 0 | 0 | 112.2 | Q299 T300 D301 Q306 I307 | Q299-S303 PolarHBondContact O-OG 3.12Å; T300-S303 PolarHBondContact O-N 3.43Å; T300-S303 PolarHBondContact O-OG 3.23Å; D301-S303 VanDerWaalsContact C-N 3.28Å; D301-S303 PolarHBondContact O-N 3.49Å; S303-Q306 PolarHBondContact O-N 3.42Å; S303-I307 WeakPolarHBondContact O-CB 3.47Å; S303-I307 WeakPolarHBondContact O-CD1 3.49Å; S303-I307 VanDerWaalsContact O-CG1 3.22Å; S303-I307 WeakPolarHBondContact O-CG1 3.45Å; S303-I307 PolarHBondContact O-N 2.88Å |
| 304 | Q | 81.2 | Confident | 85 | Confident | 106 Ų | 106 | 98 Ų | 98 | 50% | 0.495 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.3 | -42.6 | 174.6 | -178.5 | 173.9 | -34.2 | 0 | 0 | 111.3 | T300 D301 I307 L308 | T300-Q304 WeakPolarHBondContact O-CB 3.25Å; T300-Q304 PolarHBondContact O-N 2.79Å; D301-Q304 CarbonylContact O-C 3.52Å; D301-Q304 PolarHBondContact O-N 2.84Å; D301-Q304 VanDerWaalsContact O-N 3.09Å; Q304-I307 PolarHBondContact O-N 3.18Å; Q304-L308 HydrophobicContact CG-CD1 4.13Å; Q304-L308 WeakPolarHBondContact O-CB 3.43Å; Q304-L308 VanDerWaalsContact O-CG 3.29Å; Q304-L308 WeakPolarHBondContact O-CG 3.35Å; Q304-L308 PolarHBondContact O-N 3.27Å |
| 305 | E | 83.5 | Confident | 85.4 | Confident | 135 Ų | 135 | 100.1 Ų | 100.1 | 63% | 0.631 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.8 | -40.1 | 173.6 | -72.2 | -172.8 | 157.3 | 0 | 0 | 112 | D301 L308 S309 | D301-E305 WeakPolarHBondContact O-CB 3.48Å; D301-E305 WeakPolarHBondContact O-CG 3.43Å; D301-E305 PolarHBondContact O-N 3.42Å; E305-L308 PolarHBondContact O-N 3.17Å; E305-S309 WeakPolarHBondContact O-CB 3.25Å; E305-S309 PolarHBondContact O-N 2.82Å |
| 306 | Q | 87.1 | Confident | 85.9 | Confident | 131 Ų | 131 | 97.7 Ų | 97.7 | 61% | 0.612 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.4 | -40.5 | 173.2 | -78.7 | 169 | 10.6 | 0 | 0 | 112.4 | P302 S303 T310 | P302-Q306 VanDerWaalsContact O-CB 3.28Å; P302-Q306 WeakPolarHBondContact O-CB 3.35Å; P302-Q306 WeakPolarHBondContact O-CG 3.09Å; P302-Q306 PolarHBondContact O-N 3.38Å; S303-Q306 PolarHBondContact O-N 3.42Å; Q306-T310 VanDerWaalsContact O-CB 3.27Å; Q306-T310 WeakPolarHBondContact O-CB 3.34Å; Q306-T310 PolarHBondContact O-N 2.71Å; Q306-T310 PolarHBondContact O-OG1 3.06Å |
| 307 | I | 86.4 | Confident | 86.5 | Confident | 104 Ų | 104 | 95.4 Ų | 95.4 | 53% | 0.533 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.9 | -47.2 | 174.8 | -70.9 | 163.2 | 0 | 0 | 0 | 110.5 | S303 Q304 S309 T310 L311 | S303-I307 WeakPolarHBondContact O-CB 3.47Å; S303-I307 WeakPolarHBondContact O-CD1 3.49Å; S303-I307 VanDerWaalsContact O-CG1 3.22Å; S303-I307 WeakPolarHBondContact O-CG1 3.45Å; S303-I307 PolarHBondContact O-N 2.88Å; Q304-I307 PolarHBondContact O-N 3.18Å; I307-S309 PolarHBondContact O-N 3.39Å; I307-T310 PolarHBondContact O-N 3.46Å; I307-L311 HydrophobicContact CG2-CD1 3.93Å; I307-L311 HydrophobicContact CG2-CG 4.42Å; I307-L311 WeakPolarHBondContact O-CB 3.3Å; I307-L311 VanDerWaalsContact O-CG 3.32Å; I307-L311 WeakPolarHBondContact O-CG 3.42Å; I307-L311 PolarHBondContact O-N 3.39Å |
| 308 | L | 86.9 | Confident | 86.9 | Confident | 95 Ų | 95 | 96.1 Ų | 96.1 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.8 | -39 | 178.2 | -70.6 | 171 | 0 | 0 | 0 | 112.7 | Q304 E305 L311 T312 | Q304-L308 HydrophobicContact CG-CD1 4.13Å; Q304-L308 WeakPolarHBondContact O-CB 3.43Å; Q304-L308 VanDerWaalsContact O-CG 3.29Å; Q304-L308 WeakPolarHBondContact O-CG 3.35Å; Q304-L308 PolarHBondContact O-N 3.27Å; E305-L308 PolarHBondContact O-N 3.17Å; L308-L311 PolarHBondContact O-N 2.93Å; L308-T312 WeakPolarHBondContact O-CB 3.4Å; L308-T312 WeakPolarHBondContact O-CG2 3.25Å; L308-T312 PolarHBondContact O-N 3.29Å; L308-T312 PolarHBondContact O-OG1 2.9Å |
| 309 | S | 88.9 | Confident | 87.5 | Confident | 76 Ų | 76 | 96.4 Ų | 96.4 | 53% | 0.531 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 173.4 | -176.4 | 0 | 0 | 0 | 0 | 111.4 | E305 I307 T312 H313 | E305-S309 WeakPolarHBondContact O-CB 3.25Å; E305-S309 PolarHBondContact O-N 2.82Å; I307-S309 PolarHBondContact O-N 3.39Å; S309-T312 PolarHBondContact O-OG1 2.89Å; S309-H313 WeakPolarHBondContact O-CB 3.42Å; S309-H313 PolarHBondContact O-N 3.05Å |
| 310 | T | 93.1 | Very high | 88.2 | Confident | 78 Ų | 78 | 93 Ų | 93 | 48% | 0.479 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.9 | -42.5 | 176.9 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | Q306 I307 H313 L314 | Q306-T310 VanDerWaalsContact O-CB 3.27Å; Q306-T310 WeakPolarHBondContact O-CB 3.34Å; Q306-T310 PolarHBondContact O-N 2.71Å; Q306-T310 PolarHBondContact O-OG1 3.06Å; I307-T310 PolarHBondContact O-N 3.46Å; T310-H313 PolarHBondContact O-N 2.68Å; T310-L314 HydrophobicContact CG2-CD1 4.02Å; T310-L314 WeakPolarHBondContact O-CB 3.34Å; T310-L314 VanDerWaalsContact O-CG 3.23Å; T310-L314 WeakPolarHBondContact O-CG 3.47Å; T310-L314 PolarHBondContact O-N 3.2Å |
| 311 | L | 91.6 | Very high | 88.6 | Confident | 92 Ų | 92 | 96 Ų | 96 | 48% | 0.482 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.6 | -50.4 | 176 | -73.8 | 171 | 0 | 0 | 0 | 111.6 | I307 L308 H313 L314 E315 | I307-L311 HydrophobicContact CG2-CD1 3.93Å; I307-L311 HydrophobicContact CG2-CG 4.42Å; I307-L311 WeakPolarHBondContact O-CB 3.3Å; I307-L311 VanDerWaalsContact O-CG 3.32Å; I307-L311 WeakPolarHBondContact O-CG 3.42Å; I307-L311 PolarHBondContact O-N 3.39Å; L308-L311 PolarHBondContact O-N 2.93Å; L311-H313 VanDerWaalsContact C-N 3.32Å; L311-H313 PolarHBondContact O-N 3.02Å; L311-L314 CarbonylContact O-C 3.57Å; L311-L314 PolarHBondContact O-N 3.46Å; L311-L314 VanDerWaalsContact O-N 3.11Å; L311-E315 WeakPolarHBondContact O-CG 3.49Å; L311-E315 PolarHBondContact O-N 3.41Å |
| 312 | T | 92.6 | Very high | 89.1 | Confident | 76 Ų | 76 | 99.4 Ų | 99.4 | 47% | 0.466 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.8 | -34.3 | 178.7 | 50.3 | 0 | 0 | 0 | 0 | 112.6 | L308 S309 E315 V316 | L308-T312 WeakPolarHBondContact O-CB 3.4Å; L308-T312 WeakPolarHBondContact O-CG2 3.25Å; L308-T312 PolarHBondContact O-N 3.29Å; L308-T312 PolarHBondContact O-OG1 2.9Å; S309-T312 PolarHBondContact O-OG1 2.89Å; T312-E315 PolarHBondContact O-N 3.39Å; T312-V316 WeakPolarHBondContact O-CG2 3.48Å; T312-V316 PolarHBondContact O-N 3.16Å; T312-V316 VanDerWaalsContact O-N 3.11Å |
| 313 | H | 95.6 | Very high | 89.7 | Confident | 105 Ų | 105 | 102.2 Ų | 102.2 | 49% | 0.486 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 170 | 174.7 | -101.8 | 0 | 0 | 0 | 112.2 | S309 T310 L311 V316 Q317 | S309-H313 WeakPolarHBondContact O-CB 3.42Å; S309-H313 PolarHBondContact O-N 3.05Å; T310-H313 PolarHBondContact O-N 2.68Å; L311-H313 VanDerWaalsContact C-N 3.32Å; L311-H313 PolarHBondContact O-N 3.02Å; H313-V316 PolarHBondContact O-N 3.2Å; H313-Q317 PolarHBondContact CE1-NE2 3.14Å; H313-Q317 WeakPolarHBondContact O-CG 3.44Å; H313-Q317 PolarHBondContact O-N 2.88Å |
| 314 | L | 94.1 | Very high | 90.1 | Very high | 80 Ų | 80 | 104.8 Ų | 104.8 | 42% | 0.419 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.7 | -37.1 | 176.2 | -72.8 | 168.4 | 0 | 0 | 0 | 112.3 | T310 L311 Q317 L318 | T310-L314 HydrophobicContact CG2-CD1 4.02Å; T310-L314 WeakPolarHBondContact O-CB 3.34Å; T310-L314 VanDerWaalsContact O-CG 3.23Å; T310-L314 WeakPolarHBondContact O-CG 3.47Å; T310-L314 PolarHBondContact O-N 3.2Å; L311-L314 CarbonylContact O-C 3.57Å; L311-L314 PolarHBondContact O-N 3.46Å; L311-L314 VanDerWaalsContact O-N 3.11Å; L314-Q317 PolarHBondContact O-N 3Å; L314-L318 WeakPolarHBondContact O-CB 3.3Å; L314-L318 VanDerWaalsContact O-CG 3.31Å; L314-L318 WeakPolarHBondContact O-CG 3.26Å; L314-L318 PolarHBondContact O-N 3.4Å |
| 315 | E | 93.1 | Very high | 90.2 | Very high | 127 Ų | 127 | 106.5 Ų | 106.5 | 59% | 0.593 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.2 | -46.8 | 173.1 | -73.4 | 177.9 | 148 | 0 | 0 | 111.5 | L311 T312 Q317 L318 E319 | L311-E315 WeakPolarHBondContact O-CG 3.49Å; L311-E315 PolarHBondContact O-N 3.41Å; T312-E315 PolarHBondContact O-N 3.39Å; E315-Q317 PolarHBondContact O-N 3.12Å; E315-L318 PolarHBondContact O-N 3.04Å; E315-E319 PolarHBondContact O-N 3.09Å |
| 316 | V | 94.8 | Very high | 90.2 | Very high | 100 Ų | 100 | 106.3 Ų | 106.3 | 61% | 0.606 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.2 | -40.4 | 175.6 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | T312 H313 E319 E320 | T312-V316 WeakPolarHBondContact O-CG2 3.48Å; T312-V316 PolarHBondContact O-N 3.16Å; T312-V316 VanDerWaalsContact O-N 3.11Å; H313-V316 PolarHBondContact O-N 3.2Å; V316-E319 PolarHBondContact O-N 3.38Å; V316-E320 WeakPolarHBondContact O-CB 3.4Å; V316-E320 PolarHBondContact O-N 3.46Å |
| 317 | Q | 93.2 | Very high | 90.1 | Very high | 97 Ų | 97 | 103.7 Ų | 103.7 | 45% | 0.453 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 174.7 | -74.7 | -169.5 | -28.3 | 0 | 0 | 112.5 | H313 L314 E315 Q321 | H313-Q317 PolarHBondContact CE1-NE2 3.14Å; H313-Q317 WeakPolarHBondContact O-CG 3.44Å; H313-Q317 PolarHBondContact O-N 2.88Å; L314-Q317 PolarHBondContact O-N 3Å; E315-Q317 PolarHBondContact O-N 3.12Å; Q317-Q321 VanDerWaalsContact O-CB 3.29Å; Q317-Q321 WeakPolarHBondContact O-CB 3.48Å; Q317-Q321 VanDerWaalsContact O-CG 3.22Å; Q317-Q321 WeakPolarHBondContact O-CG 3.47Å; Q317-Q321 PolarHBondContact O-N 3.14Å |
| 318 | L | 90.5 | Very high | 89.8 | Confident | 121 Ų | 121 | 107.8 Ų | 107.8 | 63% | 0.634 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.7 | -38.9 | 175.6 | -75.1 | 172.7 | 0 | 0 | 0 | 112 | L314 E315 K322 | L314-L318 WeakPolarHBondContact O-CB 3.3Å; L314-L318 VanDerWaalsContact O-CG 3.31Å; L314-L318 WeakPolarHBondContact O-CG 3.26Å; L314-L318 PolarHBondContact O-N 3.4Å; E315-L318 PolarHBondContact O-N 3.04Å; L318-K322 WeakPolarHBondContact O-CB 3.16Å; L318-K322 PolarHBondContact O-N 3.24Å |
| 319 | E | 91.5 | Very high | 89.3 | Confident | 128 Ų | 128 | 106.3 Ų | 106.3 | 60% | 0.598 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -69.7 | -39.3 | 177.6 | -173 | 149.9 | -106.2 | 0 | 0 | 112.2 | E315 V316 K322 K323 | E315-E319 PolarHBondContact O-N 3.09Å; V316-E319 PolarHBondContact O-N 3.38Å; E319-K322 PolarHBondContact O-N 2.84Å; E319-K323 VanDerWaalsContact O-CB 3.22Å; E319-K323 WeakPolarHBondContact O-CB 3.3Å; E319-K323 PolarHBondContact O-N 2.93Å |
| 320 | E | 91.9 | Very high | 88.5 | Confident | 71 Ų | 71 | 109 Ų | 109 | 33% | 0.332 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.8 | -40.6 | 173.2 | -177.6 | 56.6 | -149.8 | 0 | 0 | 112 | V316 K323 Q324 | V316-E320 WeakPolarHBondContact O-CB 3.4Å; V316-E320 PolarHBondContact O-N 3.46Å; E320-K323 PolarHBondContact O-N 3.38Å; E320-K323 IonicContact OE1-NZ 3.32Å; E320-K323 WeakPolarHBondContact OE2-CD 3.47Å; E320-K323 WeakPolarHBondContact OE2-CE 3.34Å; E320-K323 IonicContact OE2-NZ 3.87Å; E320-K323 PolarHBondContact OE2-NZ 2.81Å; E320-Q324 WeakPolarHBondContact O-CB 3.47Å; E320-Q324 WeakPolarHBondContact O-CG 3.35Å; E320-Q324 PolarHBondContact O-N 3.26Å; E320-Q324 WeakPolarHBondContact OE1-CG 3.38Å; E320-Q324 PolarHBondContact OE1-NE2 3.31Å |
| 321 | Q | 89.4 | Confident | 87.3 | Confident | 126 Ų | 126 | 112.1 Ų | 112.1 | 59% | 0.589 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -56.7 | -50 | 170.9 | -81.7 | -79.8 | 2.4 | 0 | 0 | 111.7 | Q317 K323 Q324 Q325 | Q317-Q321 VanDerWaalsContact O-CB 3.29Å; Q317-Q321 WeakPolarHBondContact O-CB 3.48Å; Q317-Q321 VanDerWaalsContact O-CG 3.22Å; Q317-Q321 WeakPolarHBondContact O-CG 3.47Å; Q317-Q321 PolarHBondContact O-N 3.14Å; Q321-K323 VanDerWaalsContact C-N 3.34Å; Q321-K323 PolarHBondContact O-N 2.8Å; Q321-Q324 PolarHBondContact O-N 2.93Å; Q321-Q325 WeakPolarHBondContact O-CB 3.46Å; Q321-Q325 PolarHBondContact O-N 2.8Å |
| 322 | K | 90.8 | Very high | 85.8 | Confident | 135 Ų | 135 | 112.1 Ų | 112.1 | 59% | 0.587 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -59.5 | -41.9 | 177.5 | 175.3 | -175.2 | 174.6 | -168.2 | 0 | 112 | L318 E319 Q325 Q326 | L318-K322 WeakPolarHBondContact O-CB 3.16Å; L318-K322 PolarHBondContact O-N 3.24Å; E319-K322 PolarHBondContact O-N 2.84Å; K322-Q325 PolarHBondContact O-N 2.79Å; K322-Q326 WeakPolarHBondContact O-CB 3.37Å; K322-Q326 PolarHBondContact O-N 2.74Å |
| 323 | K | 89.6 | Confident | 83.5 | Confident | 112 Ų | 112 | 112.7 Ų | 112.7 | 49% | 0.487 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.1 | -43.8 | 175.2 | 173.4 | 178.7 | 152.6 | -145.5 | 0 | 112 | E319 E320 Q321 Q326 V327 | E319-K323 VanDerWaalsContact O-CB 3.22Å; E319-K323 WeakPolarHBondContact O-CB 3.3Å; E319-K323 PolarHBondContact O-N 2.93Å; E320-K323 PolarHBondContact O-N 3.38Å; E320-K323 IonicContact OE1-NZ 3.32Å; E320-K323 WeakPolarHBondContact OE2-CD 3.47Å; E320-K323 WeakPolarHBondContact OE2-CE 3.34Å; E320-K323 IonicContact OE2-NZ 3.87Å; E320-K323 PolarHBondContact OE2-NZ 2.81Å; Q321-K323 VanDerWaalsContact C-N 3.34Å; Q321-K323 PolarHBondContact O-N 2.8Å; K323-Q326 PolarHBondContact O-N 3.13Å; K323-V327 WeakPolarHBondContact O-CG2 3.39Å; K323-V327 PolarHBondContact O-N 3.37Å |
| 324 | Q | 86.6 | Confident | 81.3 | Confident | 106 Ų | 106 | 113.4 Ų | 113.4 | 50% | 0.495 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.5 | -40.9 | 173.9 | -72 | 179.5 | 24.7 | 0 | 0 | 111.7 | E320 Q321 Q326 V327 R328 | E320-Q324 WeakPolarHBondContact O-CB 3.47Å; E320-Q324 WeakPolarHBondContact O-CG 3.35Å; E320-Q324 PolarHBondContact O-N 3.26Å; E320-Q324 WeakPolarHBondContact OE1-CG 3.38Å; E320-Q324 PolarHBondContact OE1-NE2 3.31Å; Q321-Q324 PolarHBondContact O-N 2.93Å; Q324-Q326 VanDerWaalsContact C-N 3.34Å; Q324-Q326 PolarHBondContact O-N 3.07Å; Q324-V327 PolarHBondContact O-N 3.01Å; Q324-R328 VanDerWaalsContact O-CB 3.27Å; Q324-R328 WeakPolarHBondContact O-CB 3.38Å; Q324-R328 PolarHBondContact O-N 3.14Å |
| 325 | Q | 83.8 | Confident | 78.9 | Confident | 142 Ų | 142 | 118.7 Ų | 118.7 | 66% | 0.664 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -62.9 | -40.1 | 174.6 | -165.9 | -179.9 | 36.3 | 0 | 0 | 111.6 | Q321 K322 R328 A329 | Q321-Q325 WeakPolarHBondContact O-CB 3.46Å; Q321-Q325 PolarHBondContact O-N 2.8Å; K322-Q325 PolarHBondContact O-N 2.79Å; Q325-R328 PolarHBondContact O-N 2.85Å; Q325-A329 WeakPolarHBondContact O-CB 3.35Å; Q325-A329 PolarHBondContact O-N 3.48Å |
| 326 | Q | 82.4 | Confident | 76.2 | Confident | 130 Ų | 130 | 117.2 Ų | 117.2 | 61% | 0.607 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.2 | -45.5 | 174.3 | -170.5 | 179.2 | 26.6 | 0 | 0 | 112 | K322 K323 Q324 R328 A329 L330 | K322-Q326 WeakPolarHBondContact O-CB 3.37Å; K322-Q326 PolarHBondContact O-N 2.74Å; K323-Q326 PolarHBondContact O-N 3.13Å; Q324-Q326 VanDerWaalsContact C-N 3.34Å; Q324-Q326 PolarHBondContact O-N 3.07Å; Q326-R328 VanDerWaalsContact C-N 3.35Å; Q326-A329 PolarHBondContact O-N 3.49Å; Q326-L330 HydrophobicContact CG-CD1 4.46Å; Q326-L330 VanDerWaalsContact O-CG 3.31Å; Q326-L330 WeakPolarHBondContact O-CG 3.39Å; Q326-L330 PolarHBondContact O-N 3.27Å |
| 327 | V | 84.5 | Confident | 73.5 | Confident | 77 Ų | 77 | 119.1 Ų | 119.1 | 47% | 0.467 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -62.2 | -42.5 | 175 | 170.8 | 0 | 0 | 0 | 0 | 111 | K323 Q324 L330 L331 | K323-V327 WeakPolarHBondContact O-CG2 3.39Å; K323-V327 PolarHBondContact O-N 3.37Å; Q324-V327 PolarHBondContact O-N 3.01Å; V327-L330 PolarHBondContact O-N 3.47Å; V327-L331 HydrophobicContact CG1-CD1 3.92Å; V327-L331 HydrophobicContact CG1-CG 4.49Å; V327-L331 WeakPolarHBondContact O-CG 3.48Å; V327-L331 PolarHBondContact O-N 3.17Å |
| 328 | R | 80.8 | Confident | 71.2 | Confident | 190 Ų | 190 | 124.3 Ų | 124.3 | 72% | 0.717 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -61.8 | -45.2 | 176.7 | -157.6 | 176.2 | -153.1 | 148.8 | 3.3 | 111.4 | Q324 Q325 Q326 L330 L331 S332 | Q324-R328 VanDerWaalsContact O-CB 3.27Å; Q324-R328 WeakPolarHBondContact O-CB 3.38Å; Q324-R328 PolarHBondContact O-N 3.14Å; Q325-R328 PolarHBondContact O-N 2.85Å; Q326-R328 VanDerWaalsContact C-N 3.35Å; R328-L330 VanDerWaalsContact C-N 3.34Å; R328-L330 PolarHBondContact O-N 3.48Å; R328-L331 PolarHBondContact O-N 2.81Å; R328-S332 WeakPolarHBondContact O-CB 3.41Å; R328-S332 PolarHBondContact O-N 2.92Å; R328-S332 PolarHBondContact O-OG 3.02Å; R328-S332 VanDerWaalsContact O-OG 3.09Å |
| 329 | A | 76.8 | Confident | 68.5 | Low | 64 Ų | 64 | 124 Ų | 124 | 53% | 0.529 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -62.1 | -37.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q325 Q326 S332 | Q325-A329 WeakPolarHBondContact O-CB 3.35Å; Q325-A329 PolarHBondContact O-N 3.48Å; Q326-A329 PolarHBondContact O-N 3.49Å; A329-S332 PolarHBondContact O-N 3.16Å |
| 330 | L | 71.1 | Confident | 65.9 | Low | 131 Ų | 131 | 127.7 Ų | 127.7 | 69% | 0.686 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -67.4 | -35.6 | 174.4 | -71 | 168.5 | 0 | 0 | 0 | 112.5 | Q326 V327 R328 | Q326-L330 HydrophobicContact CG-CD1 4.46Å; Q326-L330 VanDerWaalsContact O-CG 3.31Å; Q326-L330 WeakPolarHBondContact O-CG 3.39Å; Q326-L330 PolarHBondContact O-N 3.27Å; V327-L330 PolarHBondContact O-N 3.47Å; R328-L330 VanDerWaalsContact C-N 3.34Å; R328-L330 PolarHBondContact O-N 3.48Å |
| 331 | L | 69.4 | Low | 63.1 | Low | 145 Ų | 145 | 128.1 Ų | 128.1 | 76% | 0.759 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -77.9 | -23.7 | 177.2 | -68.7 | 171.4 | 0 | 0 | 0 | 113.5 | V327 R328 S333 | V327-L331 HydrophobicContact CG1-CD1 3.92Å; V327-L331 HydrophobicContact CG1-CG 4.49Å; V327-L331 WeakPolarHBondContact O-CG 3.48Å; V327-L331 PolarHBondContact O-N 3.17Å; R328-L331 PolarHBondContact O-N 2.81Å; L331-S333 VanDerWaalsContact C-N 3.33Å; L331-S333 PolarHBondContact O-N 3.14Å |
| 332 | S | 59.9 | Low | 60.4 | Low | 91 Ų | 91 | 128.4 Ų | 128.4 | 64% | 0.636 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | 5.3 | 179.1 | -64.9 | 0 | 0 | 0 | 0 | 114.9 | R328 A329 P334 | R328-S332 WeakPolarHBondContact O-CB 3.41Å; R328-S332 PolarHBondContact O-N 2.92Å; R328-S332 PolarHBondContact O-OG 3.02Å; R328-S332 VanDerWaalsContact O-OG 3.09Å; A329-S332 PolarHBondContact O-N 3.16Å; S332-P334 WeakPolarHBondContact O-CD 3.05Å |
| 333 | S | 44 | Very low | 57.7 | Low | 88 Ų | 88 | 126.1 Ų | 126.1 | 62% | 0.615 | 70% | 0.702 | S | S | * | * | trans | -89.3 | 118.1 | -178 | -168.6 | 0 | 0 | 0 | 0 | 112.6 | L331 | L331-S333 VanDerWaalsContact C-N 3.33Å; L331-S333 PolarHBondContact O-N 3.14Å | ||
| 334 | P | 48.6 | Very low | 55.1 | Low | 120 Ų | 120 | 130.7 Ų | 130.7 | 78% | 0.779 | 72% | 0.722 | S | S | * | * | trans | -67.1 | 137.5 | 178.5 | -20.5 | 33.7 | 0 | 0 | 0 | 112.8 | S332 A336 | S332-P334 WeakPolarHBondContact O-CD 3.05Å; P334-A336 PolarHBondContact O-N 3.25Å | ||
| 335 | Q | 43.7 | Very low | 52.7 | Low | 192 Ų | 192 | 137.1 Ų | 137.1 | 90% | 0.897 | 74% | 0.742 | S | S | * | * | trans | -67.9 | 113.1 | 178.1 | -73.8 | -170.7 | -6.1 | 0 | 0 | 112.5 | ||||
| 336 | A | 37.2 | Very low | 51.2 | Low | 95 Ų | 95 | 135.2 Ų | 135.2 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 129.2 | 159.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | P334 | P334-A336 PolarHBondContact O-N 3.25Š|
| 337 | V | 37.3 | Very low | 48.8 | Very low | 141 Ų | 141 | 135.1 Ų | 135.1 | 86% | 0.855 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 135.3 | -171.2 | 179.5 | 0 | 0 | 0 | 0 | 112.1 | ||
| 338 | K | 46.2 | Very low | 46.4 | Very low | 205 Ų | 205 | 141 Ų | 141 | 89% | 0.891 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 120 | 175.3 | -66.4 | 174.4 | -178.9 | 170.1 | 0 | 111.6 | ||
| 339 | S | 34 | Very low | 44.6 | Very low | 116 Ų | 116 | 142.7 Ų | 142.7 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 140 | 160.4 | 52.3 | 0 | 0 | 0 | 0 | 111.3 | ||
| 340 | K | 36.6 | Very low | 42.9 | Very low | 205 Ų | 205 | 145.9 Ų | 145.9 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 166.6 | 169.8 | -64.5 | 174.4 | 178 | 171.2 | 0 | 108.6 | ||
| 341 | A | 32.4 | Very low | 41.3 | Very low | 79 Ų | 79 | 149.4 Ų | 149.4 | 65% | 0.653 | 80% | 0.796 | S | S | * | * | cis | -163.1 | 160.5 | 31.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 342 | T | 32.7 | Very low | 39.9 | Very low | 133 Ų | 133 | 150.5 Ų | 150.5 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | trans | 56.8 | 115.2 | 141.1 | 49 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 343 | A | 33.4 | Very low | 38.6 | Very low | 86 Ų | 86 | 153.6 Ų | 153.6 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | 100 | 108.1 | 119.9 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 344 | K | 35.9 | Very low | 38.7 | Very low | 208 Ų | 208 | 160.2 Ų | 160.2 | 90% | 0.904 | 82% | 0.817 | S | S | * | * | trans | 69.6 | 99.8 | 136.6 | -61.3 | -175 | 179.8 | -178.9 | 0 | 120.8 | ||||
| 345 | R | 35.8 | Very low | 38.4 | Very low | 241 Ų | 241 | 160.6 Ų | 160.6 | 91% | 0.909 | 82% | 0.819 | S | S | * | * | trans | -38.9 | 174.1 | 146.7 | -89.1 | -177.8 | -177 | -179.4 | 2 | 116.1 | ||||
| 346 | P | 52.6 | Low | 37.8 | Very low | 103 Ų | 103 | 156.2 Ų | 156.2 | 67% | 0.669 | 82% | 0.816 | S | S | * | * | cis | -137.4 | 170.2 | -6.4 | 33.4 | -14.2 | 0 | 0 | 0 | 116.6 | ||||
| 347 | T | 32.4 | Very low | 37.9 | Very low | 128 Ų | 128 | 157.2 Ų | 157.2 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | -171.3 | 143.5 | 114.8 | 19.3 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 348 | K | 32.7 | Very low | 37.7 | Very low | 201 Ų | 201 | 157 Ų | 157 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | 42 | 103.3 | 154.8 | -61.5 | -179 | -179.3 | -180 | 0 | 120.7 | ||||
| 349 | R | 44.1 | Very low | 37.1 | Very low | 225 Ų | 225 | 152 Ų | 152 | 85% | 0.849 | 80% | 0.804 | S | S | * | * | trans | -102.5 | 160 | 139 | -88.4 | -170.9 | -179.4 | -178.1 | -0.6 | 108.9 | ||||
| 350 | P | 41.6 | Very low | 37.1 | Very low | 130 Ų | 130 | 152.1 Ų | 152.1 | 84% | 0.844 | 80% | 0.799 | S | S | * | * | -106.8 | 175.7 | 118.6 | -17.9 | 34.1 | 0 | 0 | 0 | 113.7 | |||||
| 351 | R | 37 | Very low | 37 | Very low | 206 Ų | 206 | 149.4 Ų | 149.4 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | trans | -135.9 | 138.1 | -169.3 | -174.4 | -173.4 | -175.9 | -175.2 | 0.9 | 110.4 | ||||
| 352 | L | 40.6 | Very low | 37 | Very low | 168 Ų | 168 | 151.9 Ų | 151.9 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | trans | -75.8 | 142.6 | 172.1 | -150.6 | 84 | 0 | 0 | 0 | 110.8 | ||||
| 353 | H | 32.5 | Very low | 36.9 | Very low | 156 Ų | 156 | 151.4 Ų | 151.4 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | trans | -158.7 | 140.7 | 161.2 | -136.1 | -92.8 | 0 | 0 | 0 | 112.5 | ||||
| 354 | R | 46 | Very low | 36.9 | Very low | 227 Ų | 227 | 152.8 Ų | 152.8 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | trans | -103.9 | 159.7 | 159 | -83.7 | -177.5 | 168.3 | 129.3 | -7.1 | 108.9 | ||||
| 355 | P | 42.8 | Very low | 37.4 | Very low | 127 Ų | 127 | 148.1 Ų | 148.1 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -126.8 | 166.9 | 148.7 | 36.5 | -25.8 | 0 | 0 | 0 | 112.6 | ||||
| 356 | A | 30.3 | Very low | 37.1 | Very low | 100 Ų | 100 | 143.9 Ų | 143.9 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | trans | -109.4 | -179.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 357 | S | 39.5 | Very low | 35.9 | Very low | 116 Ų | 116 | 143.2 Ų | 143.2 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | -89.4 | -176.7 | -156.7 | -45.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 358 | T | 31.7 | Very low | 35.9 | Very low | 136 Ų | 136 | 144.9 Ų | 144.9 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | 86.6 | 145.6 | 164.7 | -120.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 359 | T | 34.7 | Very low | 35.9 | Very low | 102 Ų | 102 | 142.3 Ų | 142.3 | 63% | 0.626 | 77% | 0.769 | S | S | * | * | cis | -162 | 159.1 | 3.9 | -174.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 360 | T | 33.6 | Very low | 35.2 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | trans | 56.6 | -178 | 162.9 | 54.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 361 | L | 34.8 | Very low | 34.5 | Very low | 148 Ų | 148 | 136.6 Ų | 136.6 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | cis | -158.8 | -172 | -44.6 | -96.7 | 169.5 | 0 | 0 | 0 | 107 | ||||
| 362 | L | 32.9 | Very low | 34.2 | Very low | 132 Ų | 132 | 135 Ų | 135 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | cis | -157.3 | 177.9 | 3.4 | -134.4 | -172.8 | 0 | 0 | 0 | 109.5 | ||||
| 363 | T | 30.9 | Very low | 33.7 | Very low | 122 Ų | 122 | 134 Ų | 134 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | trans | 57.9 | 131.3 | 155.9 | 48.1 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 364 | S | 31.8 | Very low | 34 | Very low | 115 Ų | 115 | 131.9 Ų | 131.9 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -82.2 | -173 | 163.1 | -24.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 365 | P | 47.3 | Very low | 33.3 | Very low | 111 Ų | 111 | 127.4 Ų | 127.4 | 72% | 0.721 | 74% | 0.743 | S | S | * | * | cis | -149.8 | -177.3 | 28.2 | 41.4 | -17.9 | 0 | 0 | 0 | 120 | ||||
| 366 | I | 29.4 | Very low | 32.7 | Very low | 152 Ų | 152 | 127.8 Ų | 127.8 | 78% | 0.779 | 73% | 0.734 | S | S | * | * | trans | 94.1 | 119.7 | 136.8 | -107.2 | 167.9 | 0 | 0 | 0 | 123.4 | ||||
| 367 | S | 27.6 | Very low | 32.5 | Very low | 89 Ų | 89 | 131.6 Ų | 131.6 | 62% | 0.622 | 73% | 0.732 | S | S | * | * | trans | 80.8 | 128.5 | 139.7 | -67.5 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 368 | Q | 32.6 | Very low | 32 | Very low | 162 Ų | 162 | 131.9 Ų | 131.9 | 76% | 0.757 | 73% | 0.729 | S | S | * | * | trans | 73.9 | 145 | 146.7 | -67.6 | 178.1 | 123.3 | 0 | 0 | 118.6 | ||||
| 369 | Q | 33.3 | Very low | 31.8 | Very low | 148 Ų | 148 | 132 Ų | 132 | 69% | 0.692 | 73% | 0.729 | S | S | * | * | cis | -167.4 | 139.7 | -9.5 | -126.4 | 168.8 | 9.7 | 0 | 0 | 111.7 | ||||
| 370 | T | 27.8 | Very low | 31.6 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | trans | 55.5 | 159.8 | 153.1 | 35.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 371 | T | 28.2 | Very low | 31.6 | Very low | 112 Ų | 112 | 135 Ų | 135 | 69% | 0.687 | 75% | 0.745 | S | S | * | * | cis | -154 | 150 | 4.7 | -2.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 372 | L | 29.4 | Very low | 31.8 | Very low | 173 Ų | 173 | 134.1 Ų | 134.1 | 91% | 0.906 | 75% | 0.748 | S | S | * | * | trans | 68.1 | 151.6 | 148.6 | -70.7 | 163.5 | 0 | 0 | 0 | 122 | ||||
| 373 | Q | 31.7 | Very low | 31.7 | Very low | 146 Ų | 146 | 135 Ų | 135 | 68% | 0.682 | 75% | 0.752 | S | S | * | * | trans | -115.8 | 171.4 | -175 | -152.7 | -155.4 | 64.1 | 0 | 0 | 109.8 | ||||
| 374 | P | 38.3 | Very low | 31.8 | Very low | 112 Ų | 112 | 134 Ų | 134 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | -145.3 | 150.2 | 88.7 | 36.6 | -20.4 | 0 | 0 | 0 | 116 | |||||
| 375 | Q | 30.4 | Very low | 31.6 | Very low | 134 Ų | 134 | 135.9 Ų | 135.9 | 63% | 0.626 | 75% | 0.75 | S | S | * | * | trans | 45 | 134.5 | 141.6 | -51.3 | -71.1 | -75 | 0 | 0 | 118.7 | ||||
| 376 | Q | 29.9 | Very low | 30.6 | Very low | 135 Ų | 135 | 135.8 Ų | 135.8 | 63% | 0.631 | 75% | 0.752 | S | S | * | * | cis | -172.1 | 149.1 | 18.7 | -126.2 | 171.7 | 33 | 0 | 0 | 110.6 | ||||
| 377 | F | 27.6 | Very low | 30.5 | Very low | 179 Ų | 179 | 133.8 Ų | 133.8 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | trans | 59.8 | 144.5 | 161.4 | -64.9 | -61.2 | 0 | 0 | 0 | 118.9 | ||||
| 378 | T | 27.7 | Very low | 30.7 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | cis | -146.7 | 148 | -4.4 | -82.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 379 | V | 28.6 | Very low | 30.4 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 84% | 0.842 | 76% | 0.756 | S | S | * | * | trans | -105.3 | 153.3 | 173.5 | 177.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 380 | L | 30.4 | Very low | 30.6 | Very low | 168 Ų | 168 | 132.8 Ų | 132.8 | 88% | 0.88 | 76% | 0.763 | S | S | * | * | trans | -73.8 | 132.2 | -159.8 | -67.5 | 164.5 | 0 | 0 | 0 | 116.1 | ||||
| 381 | S | 32.6 | Very low | 30.9 | Very low | 114 Ų | 114 | 131.4 Ų | 131.4 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | trans | -161.8 | 149.6 | 157.4 | -67.3 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 382 | P | 38.6 | Very low | 31 | Very low | 129 Ų | 129 | 136.4 Ų | 136.4 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | cis | -147.4 | -151.1 | 45 | 44 | -22.5 | 0 | 0 | 0 | 114.3 | ||||
| 383 | I | 32.2 | Very low | 31 | Very low | 152 Ų | 152 | 134.1 Ų | 134.1 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | trans | -107.7 | 136.3 | 179.1 | -66 | 165.7 | 0 | 0 | 0 | 110.7 | ||||
| 384 | S | 32.2 | Very low | 31 | Very low | 100 Ų | 100 | 133.9 Ų | 133.9 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | trans | 63.7 | 156.9 | 164.8 | -60.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 385 | L | 27.4 | Very low | 30.7 | Very low | 155 Ų | 155 | 133.3 Ų | 133.3 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | cis | -158.2 | 158.3 | 42.4 | -85.3 | 168.2 | 0 | 0 | 0 | 114.3 | ||||
| 386 | S | 27.2 | Very low | 30.7 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | 53.8 | 126.4 | 143.6 | -57.7 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 387 | S | 26.8 | Very low | 30.9 | Very low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | 162.3 | 158.1 | 99 | -162.6 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 388 | V | 31.9 | Very low | 31.9 | Very low | 137 Ų | 137 | 128 Ų | 128 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | trans | 63.2 | 133.9 | 171.1 | -168 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 389 | G | 26.6 | Very low | 32.1 | Very low | 62 Ų | 62 | 130 Ų | 130 | 64% | 0.639 | 79% | 0.79 | S | S | * | * | cis | 123.8 | 81.2 | -11.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 390 | Q | 36.3 | Very low | 32.3 | Very low | 178 Ų | 178 | 127.6 Ų | 127.6 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -160.4 | 139.3 | 159.5 | -96.2 | -59.5 | -71.3 | 0 | 0 | 110.4 | ||||
| 391 | P | 35.4 | Very low | 32.3 | Very low | 93 Ų | 93 | 124.7 Ų | 124.7 | 60% | 0.604 | 78% | 0.779 | S | S | * | * | trans | -98.4 | 151.9 | 170.9 | 36.9 | -31.5 | 0 | 0 | 0 | 112.8 | ||||
| 392 | F | 28.8 | Very low | 32.3 | Very low | 217 Ų | 217 | 127.2 Ų | 127.2 | 95% | 0.952 | 78% | 0.782 | S | S | * | * | trans | -73.8 | 149.4 | 166.2 | -75.3 | -85.2 | 0 | 0 | 0 | 111.2 | ||||
| 393 | T | 30.8 | Very low | 31.9 | Very low | 125 Ų | 125 | 124.9 Ų | 124.9 | 77% | 0.767 | 77% | 0.774 | S | S | * | * | trans | -132.6 | 172.3 | -172.2 | -55.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 394 | V | 30.8 | Very low | 32 | Very low | 141 Ų | 141 | 126 Ų | 126 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | trans | 92.1 | 127.6 | 177.6 | -176.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 395 | A | 32.1 | Very low | 32.1 | Very low | 100 Ų | 100 | 126 Ų | 126 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | cis | -162.3 | 149.4 | -22.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 396 | G | 31.2 | Very low | 32.1 | Very low | 75 Ų | 75 | 123.6 Ų | 123.6 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | 168.8 | 117.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 397 | L | 34.8 | Very low | 32.1 | Very low | 166 Ų | 166 | 126.2 Ų | 126.2 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | trans | -129.5 | 167.7 | -166.4 | -78.7 | 175.4 | 0 | 0 | 0 | 110.5 | ||||
| 398 | P | 46.9 | Very low | 32.3 | Very low | 97 Ų | 97 | 127.5 Ų | 127.5 | 63% | 0.63 | 78% | 0.78 | S | S | * | * | cis | -147.3 | -167.6 | -28.3 | 39.6 | -20.1 | 0 | 0 | 0 | 115.3 | ||||
| 399 | I | 31.9 | Very low | 32.4 | Very low | 164 Ų | 164 | 126.8 Ų | 126.8 | 84% | 0.841 | 78% | 0.776 | S | S | * | * | trans | 75 | 136.3 | 159.8 | -63.4 | 163.9 | 0 | 0 | 0 | 115.5 | ||||
| 400 | A | 33.7 | Very low | 32.5 | Very low | 87 Ų | 87 | 130.3 Ų | 130.3 | 72% | 0.719 | 79% | 0.786 | S | S | * | * | cis | -137.1 | 149.3 | 2.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 401 | S | 31.3 | Very low | 32.4 | Very low | 108 Ų | 108 | 129.1 Ų | 129.1 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | cis | 94.9 | 82.1 | 47.5 | -175.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 402 | L | 32.4 | Very low | 32.2 | Very low | 166 Ų | 166 | 132.9 Ų | 132.9 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | trans | -164.5 | 126.3 | 141.8 | -124.1 | 64.7 | 0 | 0 | 0 | 107.7 | ||||
| 403 | A | 29.2 | Very low | 32.8 | Very low | 80 Ų | 80 | 127.7 Ų | 127.7 | 66% | 0.661 | 79% | 0.786 | S | S | * | * | 57.2 | 134.4 | 100.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 404 | Q | 34.8 | Very low | 32.9 | Very low | 177 Ų | 177 | 126.7 Ų | 126.7 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | cis | -163.2 | 157.6 | 7.8 | -127.8 | 163.2 | -8.8 | 0 | 0 | 111.1 | ||||
| 405 | S | 33 | Very low | 32.7 | Very low | 98 Ų | 98 | 123.5 Ų | 123.5 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | trans | 33.5 | 115.5 | 160.7 | 55.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 406 | S | 27.6 | Very low | 32.6 | Very low | 105 Ų | 105 | 124.1 Ų | 124.1 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | 61.7 | 112 | 59.5 | -49.3 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 407 | N | 29.1 | Very low | 32.9 | Very low | 165 Ų | 165 | 127.7 Ų | 127.7 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | 179.9 | 174.3 | 112.3 | -88.5 | -29.8 | 0 | 0 | 0 | 113.5 | |||||
| 408 | T | 30.3 | Very low | 32.7 | Very low | 136 Ų | 136 | 128.2 Ų | 128.2 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | -110.3 | 170 | -155.9 | 48.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 409 | V | 34.5 | Very low | 32 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 75% | 0.745 | 79% | 0.793 | S | S | * | * | trans | -59.2 | 145.5 | -177.8 | 177.8 | 0 | 0 | 0 | 0 | 115.1 | L411 | V409-L411 HydrophobicContact CG1-CG 4.4Š| ||
| 410 | T | 28.9 | Very low | 32 | Very low | 136 Ų | 136 | 130.8 Ų | 130.8 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | -134.6 | 138.9 | 148.2 | -55.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 411 | L | 32.8 | Very low | 31.7 | Very low | 152 Ų | 152 | 137.4 Ų | 137.4 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | trans | -130.7 | 138.5 | 169.5 | -81.1 | 170.8 | 0 | 0 | 0 | 108.7 | V409 | V409-L411 HydrophobicContact CG1-CG 4.4Š| ||
| 412 | L | 31.4 | Very low | 31.7 | Very low | 172 Ų | 172 | 142.2 Ų | 142.2 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | trans | 177.9 | 167.9 | 157 | -96.7 | 160.3 | 0 | 0 | 0 | 107.8 | ||||
| 413 | P | 42.5 | Very low | 31.4 | Very low | 108 Ų | 108 | 142.7 Ų | 142.7 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | -124.5 | 174.9 | -124.1 | 43.4 | -31.7 | 0 | 0 | 0 | 116.5 | |||||
| 414 | A | 31.1 | Very low | 31.6 | Very low | 104 Ų | 104 | 145.5 Ų | 145.5 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | 69.3 | 136.1 | 159.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 415 | G | 27.4 | Very low | 31.7 | Very low | 75 Ų | 75 | 142.2 Ų | 142.2 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | 111.3 | 113.3 | 157.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 416 | S | 30.5 | Very low | 31.6 | Very low | 113 Ų | 113 | 141.3 Ų | 141.3 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | trans | 69.8 | 120.2 | 146.9 | -136 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 417 | Q | 37.2 | Very low | 31.9 | Very low | 150 Ų | 150 | 144.4 Ų | 144.4 | 70% | 0.701 | 83% | 0.826 | S | S | * | * | 37.8 | 118 | 129.9 | -51.7 | -64.5 | 1 | 0 | 0 | 120.2 | |||||
| 418 | L | 31.4 | Very low | 32.4 | Very low | 177 Ų | 177 | 139.1 Ų | 139.1 | 93% | 0.927 | 81% | 0.81 | S | S | * | * | trans | -133 | 123.7 | 151.3 | -76.6 | 178.3 | 0 | 0 | 0 | 111.1 | ||||
| 419 | F | 31.6 | Very low | 32.7 | Very low | 188 Ų | 188 | 142.8 Ų | 142.8 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -78.9 | 149.5 | 173.9 | -86.1 | -109.7 | 0 | 0 | 0 | 111.4 | R421 | F419-R421 PolarHBondContact O-N 2.93Š| ||
| 420 | T | 31.1 | Very low | 32.9 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | trans | -77.1 | 112.7 | 167.1 | -61.7 | 0 | 0 | 0 | 0 | 109.6 | Y422 | T420-Y422 HydrophobicContact CG2-CE2 4.39Š| ||
| 421 | R | 27.9 | Very low | 33 | Very low | 226 Ų | 226 | 142.1 Ų | 142.1 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | trans | -95 | 107.6 | 177.4 | -174.8 | 179.7 | -171 | 168.7 | 3.7 | 110.4 | F419 | F419-R421 PolarHBondContact O-N 2.93Š| ||
| 422 | Y | 30.4 | Very low | 32.9 | Very low | 210 Ų | 210 | 139.2 Ų | 139.2 | 82% | 0.824 | 82% | 0.818 | S | S | * | * | trans | -71 | 142.5 | 159.7 | -81.6 | -86.9 | 0 | 0 | 0 | 109.7 | T420 | T420-Y422 HydrophobicContact CG2-CE2 4.39Š| ||
| 423 | M | 27.9 | Very low | 33 | Very low | 176 Ų | 176 | 138.4 Ų | 138.4 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | trans | -96.8 | 122.9 | 170.7 | -63.2 | -157.8 | -57.2 | 0 | 0 | 109.8 | ||||
| 424 | V | 32.6 | Very low | 32.5 | Very low | 139 Ų | 139 | 139.9 Ų | 139.9 | 84% | 0.842 | 82% | 0.82 | S | S | * | * | trans | -124 | 133.1 | 159.4 | 176.9 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 425 | A | 36.4 | Very low | 32.5 | Very low | 108 Ų | 108 | 142.8 Ų | 142.8 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | trans | -79.2 | 125.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 426 | G | 31.8 | Very low | 32.9 | Very low | 79 Ų | 79 | 147.3 Ų | 147.3 | 81% | 0.814 | 82% | 0.821 | S | S | * | * | trans | -163.7 | 139.8 | 178 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 427 | D | 32.7 | Very low | 33.2 | Very low | 169 Ų | 169 | 147.9 Ų | 147.9 | 90% | 0.904 | 82% | 0.822 | S | S | * | * | trans | -88 | 158.2 | -170.7 | -174.8 | 41 | 0 | 0 | 0 | 113.2 | ||||
| 428 | G | 40.7 | Very low | 33 | Very low | 54 Ų | 54 | 145.4 Ų | 145.4 | 56% | 0.557 | 82% | 0.821 | S | S | * | * | S | Bend | trans | 75 | 107.1 | 148.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 429 | K | 36.3 | Very low | 33.2 | Very low | 214 Ų | 214 | 142.6 Ų | 142.6 | 93% | 0.93 | 82% | 0.816 | S | S | * | * | trans | 68.3 | 106.5 | 151 | -162.5 | 179.2 | -175.6 | -177.7 | 0 | 116.4 | ||||
| 430 | G | 38.6 | Very low | 33.7 | Very low | 78 Ų | 78 | 137.4 Ų | 137.4 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -91.4 | 158.2 | 175 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 431 | D | 31.7 | Very low | 33.8 | Very low | 167 Ų | 167 | 139.3 Ų | 139.3 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | trans | -142.2 | 153.8 | 153.7 | -145.5 | -24 | 0 | 0 | 0 | 108.2 | ||||
| 432 | A | 28.8 | Very low | 34.4 | Very low | 91 Ų | 91 | 135.1 Ų | 135.1 | 75% | 0.752 | 82% | 0.821 | S | S | * | * | trans | -116.3 | 118.8 | -164.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 433 | I | 34.7 | Very low | 34.2 | Very low | 155 Ų | 155 | 132.8 Ų | 132.8 | 80% | 0.795 | 82% | 0.821 | S | S | * | * | trans | -119.1 | 112.5 | 176.9 | -52 | 177.6 | 0 | 0 | 0 | 109.5 | ||||
| 434 | T | 31.8 | Very low | 34.4 | Very low | 139 Ų | 139 | 130.3 Ų | 130.3 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | -90.7 | 132.1 | 172.1 | 31.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 435 | L | 32 | Very low | 34.2 | Very low | 165 Ų | 165 | 127 Ų | 127 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | trans | -122 | 142.4 | 172.3 | -66.7 | 176.2 | 0 | 0 | 0 | 110.2 | ||||
| 436 | H | 35.5 | Very low | 33.9 | Very low | 169 Ų | 169 | 128 Ų | 128 | 78% | 0.782 | 81% | 0.805 | S | S | * | * | trans | -104.8 | 135.2 | -171.6 | -155.8 | -96.3 | 0 | 0 | 0 | 111.1 | S438 | H436-S438 PolarHBondContact O-N 2.99Å; H436-S438 VanDerWaalsContact O-N 3.08Å | ||
| 437 | P | 35.4 | Very low | 33.9 | Very low | 126 Ų | 126 | 131 Ų | 131 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -85.2 | 85.1 | -169.6 | 33.3 | -35.8 | 0 | 0 | 0 | 112.8 | ||||
| 438 | S | 34.3 | Very low | 33.7 | Very low | 97 Ų | 97 | 127.8 Ų | 127.8 | 68% | 0.678 | 80% | 0.804 | S | S | * | * | trans | -148.8 | 52.6 | 173.6 | 61.6 | 0 | 0 | 0 | 0 | 114.2 | H436 | H436-S438 PolarHBondContact O-N 2.99Å; H436-S438 VanDerWaalsContact O-N 3.08Å | ||
| 439 | S | 34.1 | Very low | 33.3 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | -156.2 | 136.7 | 158.1 | -88.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 440 | G | 42.4 | Very low | 33.1 | Very low | 79 Ų | 79 | 131 Ų | 131 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | trans | -88.6 | 121 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 441 | L | 33.1 | Very low | 32.7 | Very low | 167 Ų | 167 | 134.2 Ų | 134.2 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | -136.7 | 132 | 169.7 | -73.1 | 176 | 0 | 0 | 0 | 110.2 | ||||
| 442 | T | 40.3 | Very low | 32.6 | Very low | 138 Ų | 138 | 131.3 Ų | 131.3 | 85% | 0.847 | 81% | 0.81 | S | S | * | * | trans | -80.8 | 115.6 | 177.2 | -55.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 443 | L | 26.7 | Very low | 32.7 | Very low | 160 Ų | 160 | 130.4 Ų | 130.4 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | trans | -96.5 | 100.2 | 178.9 | -160.3 | 114.7 | 0 | 0 | 0 | 111 | ||||
| 444 | V | 32.8 | Very low | 32.6 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 149.2 | 165.9 | 178.7 | 0 | 0 | 0 | 0 | 109 | ||
| 445 | G | 28.8 | Very low | 32.6 | Very low | 70 Ų | 70 | 133.9 Ų | 133.9 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -63 | 148.3 | -167.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 446 | T | 30.1 | Very low | 32.5 | Very low | 128 Ų | 128 | 129 Ų | 129 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 141.1 | -178.6 | 52.8 | 0 | 0 | 0 | 0 | 113.4 | ||
| 447 | T | 30.7 | Very low | 32.2 | Very low | 144 Ų | 144 | 127.3 Ų | 127.3 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | trans | -123.9 | 121.3 | 150.6 | 51.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 448 | A | 28.8 | Very low | 32 | Very low | 100 Ų | 100 | 127.7 Ų | 127.7 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | trans | -103.7 | 134.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 449 | V | 33.4 | Very low | 31.6 | Very low | 148 Ų | 148 | 131.4 Ų | 131.4 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | trans | -136.7 | 147 | 164.4 | -175.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 450 | Q | 32.1 | Very low | 31.7 | Very low | 188 Ų | 188 | 130.2 Ų | 130.2 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | trans | -98.5 | 145.4 | -174.9 | -60.7 | 168 | -13.1 | 0 | 0 | 110.7 | ||||
| 451 | D | 28.7 | Very low | 31.2 | Very low | 146 Ų | 146 | 132.1 Ų | 132.1 | 78% | 0.781 | 81% | 0.807 | S | S | * | * | 168.3 | 153.9 | 104.4 | -166.5 | 24.1 | 0 | 0 | 0 | 113.4 | |||||
| 452 | S | 30.7 | Very low | 31 | Very low | 105 Ų | 105 | 129.7 Ų | 129.7 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | 16.7 | 134.6 | 156.2 | -64.5 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 453 | G | 30.5 | Very low | 30.6 | Very low | 73 Ų | 73 | 131.3 Ų | 131.3 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | 142.8 | 100.2 | 138 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 454 | Q | 32.5 | Very low | 30.6 | Very low | 192 Ų | 192 | 131.2 Ų | 131.2 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | trans | 21.9 | 127.7 | 152.2 | -67 | -174.3 | -7.4 | 0 | 0 | 123.2 | ||||
| 455 | L | 32.2 | Very low | 30.3 | Very low | 175 Ų | 175 | 132.2 Ų | 132.2 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | 62.3 | 115.8 | 127.8 | -163.9 | 80.2 | 0 | 0 | 0 | 121.2 | |||||
| 456 | G | 28.7 | Very low | 30.2 | Very low | 63 Ų | 63 | 137 Ų | 137 | 65% | 0.649 | 81% | 0.805 | S | S | * | * | trans | 132.7 | 126.9 | 137.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 457 | T | 30.9 | Very low | 30.1 | Very low | 133 Ų | 133 | 138.4 Ų | 138.4 | 82% | 0.816 | 81% | 0.807 | S | S | * | * | trans | 46.2 | 111.3 | 143.5 | 48.1 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 458 | V | 29.6 | Very low | 29.9 | Very low | 133 Ų | 133 | 136.7 Ų | 136.7 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | trans | 33.7 | 123.9 | 130.8 | -146.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 459 | M | 26.1 | Very low | 29.9 | Very low | 175 Ų | 175 | 140.9 Ų | 140.9 | 86% | 0.862 | 80% | 0.804 | S | S | * | * | trans | 143.5 | 157.8 | 132.2 | -78.4 | -152.6 | 76.2 | 0 | 0 | 115 | ||||
| 460 | S | 36.3 | Very low | 29.7 | Very low | 94 Ų | 94 | 143 Ų | 143 | 66% | 0.657 | 80% | 0.803 | S | S | * | * | trans | -51.9 | 150.7 | -179.8 | -171.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 461 | P | 33.3 | Very low | 29.5 | Very low | 119 Ų | 119 | 139 Ų | 139 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | -109.2 | 138.1 | 150.6 | 35.6 | -26.1 | 0 | 0 | 0 | 113 | ||||
| 462 | V | 28.7 | Very low | 29.3 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 70% | 0.703 | 80% | 0.8 | S | S | * | * | trans | -109.2 | 145.6 | 162.9 | 171.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 463 | E | 31.3 | Very low | 29 | Very low | 171 Ų | 171 | 135.4 Ų | 135.4 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | trans | 36 | 116.6 | 164.5 | -66.1 | 176 | 160.7 | 0 | 0 | 120.2 | ||||
| 464 | L | 26.3 | Very low | 28.9 | Very low | 159 Ų | 159 | 136.3 Ų | 136.3 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | 177.4 | 129.2 | 116 | -124 | 69.3 | 0 | 0 | 0 | 112.1 | |||||
| 465 | V | 27.5 | Very low | 28.6 | Very low | 144 Ų | 144 | 135.3 Ų | 135.3 | 87% | 0.873 | 80% | 0.802 | S | S | * | * | trans | -147.7 | 129.8 | 138.4 | -176.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 466 | H | 26.1 | Very low | 28.2 | Very low | 170 Ų | 170 | 134 Ų | 134 | 79% | 0.787 | 79% | 0.793 | S | S | * | * | trans | -139.3 | 160.5 | 166.6 | -125.9 | 119.1 | 0 | 0 | 0 | 108.1 | ||||
| 467 | L | 26.9 | Very low | 28.3 | Very low | 159 Ų | 159 | 137.2 Ų | 137.2 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | 69.2 | 107.6 | 178.2 | -76.3 | 72.5 | 0 | 0 | 0 | 117.9 | ||||
| 468 | S | 26.6 | Very low | 28.7 | Very low | 107 Ų | 107 | 135.5 Ų | 135.5 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | -162.9 | 159.9 | 100.8 | 60.7 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 469 | Q | 30.4 | Very low | 28.7 | Very low | 189 Ų | 189 | 135.8 Ų | 135.8 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | cis | -131.1 | -165.7 | 20.7 | -63.5 | 175.4 | 11.6 | 0 | 0 | 112.2 | ||||
| 470 | H | 28.4 | Very low | 28.7 | Very low | 192 Ų | 192 | 136.8 Ų | 136.8 | 89% | 0.889 | 79% | 0.789 | S | S | * | * | trans | -146.8 | 117.2 | -152 | -168.3 | 89.3 | 0 | 0 | 0 | 113.9 | ||||
| 471 | A | 27.9 | Very low | 28.3 | Very low | 105 Ų | 105 | 135.7 Ų | 135.7 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | trans | -170.3 | 142.6 | 162 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 472 | G | 25.7 | Very low | 28 | Very low | 69 Ų | 69 | 138.7 Ų | 138.7 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | cis | 175.5 | 154.2 | -8.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 473 | A | 24.4 | Very low | 28 | Very low | 106 Ų | 106 | 138.4 Ų | 138.4 | 88% | 0.876 | 79% | 0.794 | S | S | * | * | trans | 73 | 116 | 176.8 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 474 | A | 27 | Very low | 27.9 | Very low | 91 Ų | 91 | 136.2 Ų | 136.2 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | -85.6 | -177.7 | 141.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 475 | E | 26 | Very low | 28.2 | Very low | 171 Ų | 171 | 136.3 Ų | 136.3 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | cis | -140.7 | -156.5 | 11 | -133.4 | 171.4 | 100.6 | 0 | 0 | 107.2 | ||||
| 476 | M | 24.8 | Very low | 28.4 | Very low | 149 Ų | 149 | 131.4 Ų | 131.4 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | cis | -155.8 | 178.2 | 10.9 | -150.5 | -169.1 | -177.4 | 0 | 0 | 109.6 | ||||
| 477 | V | 30.3 | Very low | 28.7 | Very low | 129 Ų | 129 | 130 Ų | 130 | 78% | 0.782 | 78% | 0.776 | S | S | * | * | trans | -131.5 | 126.4 | 169.3 | 178.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 478 | P | 38.9 | Very low | 28.6 | Very low | 98 Ų | 98 | 130.9 Ų | 130.9 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | -144.2 | 129.3 | 127.9 | 29.6 | -10.6 | 0 | 0 | 0 | 113.4 | |||||
| 479 | I | 29 | Very low | 28.7 | Very low | 139 Ų | 139 | 132.9 Ų | 132.9 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | 105.8 | 134.1 | 80.3 | -78.4 | 167.3 | 0 | 0 | 0 | 113.7 | |||||
| 480 | E | 27.1 | Very low | 28.6 | Very low | 195 Ų | 195 | 130.3 Ų | 130.3 | 91% | 0.911 | 78% | 0.777 | S | S | * | * | trans | 72 | 148.7 | 160.9 | -80.6 | 165.9 | 171.6 | 0 | 0 | 124.1 | ||||
| 481 | G | 28.1 | Very low | 28.4 | Very low | 71 Ų | 71 | 128.4 Ų | 128.4 | 73% | 0.732 | 77% | 0.768 | S | S | * | * | trans | 108.3 | 84.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 482 | Q | 25.8 | Very low | 28.4 | Very low | 182 Ų | 182 | 130 Ų | 130 | 85% | 0.85 | 76% | 0.757 | S | S | * | * | 54.4 | 126.7 | 73.3 | -116 | -166.4 | -80.7 | 0 | 0 | 113.6 | |||||
| 483 | V | 29 | Very low | 28.5 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 67% | 0.667 | 76% | 0.756 | S | S | * | * | cis | -152.3 | 152.9 | 18.6 | -141.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 484 | V | 29.1 | Very low | 28.6 | Very low | 125 Ų | 125 | 134.4 Ų | 134.4 | 76% | 0.758 | 75% | 0.75 | S | S | * | * | trans | 46.6 | 114.8 | 149.9 | 168 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 485 | D | 32.8 | Very low | 28.6 | Very low | 161 Ų | 161 | 137.5 Ų | 137.5 | 86% | 0.861 | 75% | 0.75 | S | S | * | * | -147.4 | -172 | 66.3 | -144.2 | 28.9 | 0 | 0 | 0 | 112.5 | |||||
| 486 | G | 31.5 | Very low | 28.8 | Very low | 42 Ų | 42 | 137.5 Ų | 137.5 | 43% | 0.433 | 75% | 0.75 | S | S | . | * | cis | -172 | -25.3 | 4.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 487 | T | 32.8 | Very low | 28.8 | Very low | 141 Ų | 141 | 134 Ų | 134 | 87% | 0.865 | 75% | 0.752 | S | S | * | * | trans | 66.5 | 156.7 | 178.2 | 48.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 488 | M | 24.8 | Very low | 28.7 | Very low | 176 Ų | 176 | 135.6 Ų | 135.6 | 87% | 0.867 | 76% | 0.756 | S | S | * | * | cis | -146 | 172.5 | 45 | -84.9 | -175.1 | 61.9 | 0 | 0 | 117 | ||||
| 489 | L | 29.9 | Very low | 28.3 | Very low | 149 Ų | 149 | 139 Ų | 139 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | trans | -102.4 | 167.8 | 179.5 | -65.5 | 160.9 | 0 | 0 | 0 | 112.9 | ||||
| 490 | V | 26.7 | Very low | 28.3 | Very low | 136 Ų | 136 | 141.6 Ų | 141.6 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | trans | 172.6 | 130.7 | 132.9 | 149.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 491 | Q | 24.5 | Very low | 28.5 | Very low | 152 Ų | 152 | 137 Ų | 137 | 71% | 0.71 | 77% | 0.771 | S | S | * | * | cis | 110.4 | 142.1 | 14.7 | -171.1 | 171.9 | 98.1 | 0 | 0 | 113.9 | ||||
| 492 | Q | 27.9 | Very low | 28.6 | Very low | 138 Ų | 138 | 137 Ų | 137 | 65% | 0.645 | 77% | 0.771 | S | S | * | * | trans | 74.6 | 154.7 | 173 | -122.6 | 54 | 23.2 | 0 | 0 | 116.6 | ||||
| 493 | E | 27.2 | Very low | 28.8 | Very low | 146 Ų | 146 | 136.3 Ų | 136.3 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | cis | -134.3 | -133.4 | 3.5 | -168 | 65.4 | -79.1 | 0 | 0 | 110.8 | ||||
| 494 | V | 28.4 | Very low | 28.9 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 74% | 0.739 | 77% | 0.765 | S | S | * | * | trans | -148.8 | 159.9 | -169.5 | -74.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 495 | M | 25 | Very low | 28.8 | Very low | 155 Ų | 155 | 139.6 Ų | 139.6 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | 167.6 | 128.3 | 127.5 | -86.6 | -171.2 | 85.6 | 0 | 0 | 109.2 | |||||
| 496 | Q | 30.2 | Very low | 28.7 | Very low | 172 Ų | 172 | 137.4 Ų | 137.4 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | 76.3 | 98.4 | 56.6 | -167.8 | 172.2 | 46.6 | 0 | 0 | 111.4 | |||||
| 497 | G | 26.3 | Very low | 28.5 | Very low | 75 Ų | 75 | 141 Ų | 141 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | 125 | 163.5 | 78.5 | 0 | 0 | 0 | 0 | 0 | 108 | |||||
| 498 | D | 27.3 | Very low | 28.5 | Very low | 162 Ų | 162 | 142.1 Ų | 142.1 | 87% | 0.866 | 77% | 0.772 | S | S | * | * | cis | -166.4 | -176.6 | 1.6 | -159.7 | -5.5 | 0 | 0 | 0 | 110 | ||||
| 499 | M | 30 | Very low | 28.5 | Very low | 171 Ų | 171 | 140.3 Ų | 140.3 | 84% | 0.842 | 76% | 0.761 | S | S | * | * | trans | 90.2 | 140.7 | 163.9 | -64.3 | -174.7 | 64.6 | 0 | 0 | 121.3 | ||||
| 500 | E | 30.9 | Very low | 28.8 | Very low | 192 Ų | 192 | 141 Ų | 141 | 90% | 0.897 | 76% | 0.764 | S | S | * | * | trans | -99.8 | 162.6 | -170.2 | -55.5 | 157.5 | 79.2 | 0 | 0 | 114.1 | ||||
| 501 | A | 30.8 | Very low | 28.7 | Very low | 100 Ų | 100 | 140.5 Ų | 140.5 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | trans | -156.7 | 125.9 | 133.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 502 | G | 29.9 | Very low | 29.3 | Very low | 71 Ų | 71 | 137.7 Ų | 137.7 | 73% | 0.732 | 75% | 0.751 | S | S | * | * | trans | -79.3 | -178.3 | 151.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 503 | Q | 30 | Very low | 29.6 | Very low | 166 Ų | 166 | 137.3 Ų | 137.3 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | cis | -148.7 | -177 | 14.7 | -99.2 | -168.9 | -95.6 | 0 | 0 | 110.8 | ||||
| 504 | E | 30.3 | Very low | 30.1 | Very low | 131 Ų | 131 | 136 Ų | 136 | 61% | 0.612 | 76% | 0.763 | S | S | * | * | trans | -44.1 | 143.7 | -179.5 | 54.6 | -93.3 | 30.1 | 0 | 0 | 117.9 | ||||
| 505 | H | 27.6 | Very low | 30.2 | Very low | 173 Ų | 173 | 135.9 Ų | 135.9 | 80% | 0.801 | 76% | 0.762 | S | S | * | * | -168.6 | 178.2 | 108.2 | -111.6 | -75.6 | 0 | 0 | 0 | 114.4 | |||||
| 506 | T | 31.6 | Very low | 30.4 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 71% | 0.712 | 76% | 0.758 | S | S | * | * | trans | -103.3 | 177.3 | -163.5 | 42.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 507 | V | 27.2 | Very low | 30.2 | Very low | 116 Ų | 116 | 134.1 Ų | 134.1 | 70% | 0.703 | 75% | 0.752 | S | S | * | * | trans | 89.1 | 120.3 | 164.6 | -170.9 | 0 | 0 | 0 | 0 | 116.5 | E509 | V507-E509 HydrophobicContact CG1-CB 4.09Š| ||
| 508 | I | 31.7 | Very low | 30.1 | Very low | 165 Ų | 165 | 136.7 Ų | 136.7 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | trans | -120.5 | 116.4 | 147.6 | -66.3 | 179.9 | 0 | 0 | 0 | 106.7 | ||||
| 509 | E | 25.7 | Very low | 30 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 65% | 0.65 | 76% | 0.755 | S | S | * | * | trans | -100.5 | 132.6 | 177.7 | -178 | -171.2 | 133.4 | 0 | 0 | 108.6 | V507 N511 | V507-E509 HydrophobicContact CG1-CB 4.09Å; E509-N511 PolarHBondContact OE1-ND2 3.01Å | ||
| 510 | I | 34.7 | Very low | 29.8 | Very low | 164 Ų | 164 | 131.7 Ų | 131.7 | 84% | 0.841 | 75% | 0.753 | S | S | * | * | trans | -107.6 | 106.8 | 173.1 | -59.6 | -179.5 | 0 | 0 | 0 | 108.1 | ||||
| 511 | N | 25.5 | Very low | 29.6 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 67% | 0.668 | 75% | 0.749 | S | S | * | * | trans | -109.5 | 140 | -174.8 | -152.7 | -49.9 | 0 | 0 | 0 | 110.1 | E509 | E509-N511 PolarHBondContact OE1-ND2 3.01Š| ||
| 512 | P | 37.3 | Very low | 29.3 | Very low | 92 Ų | 92 | 132.4 Ų | 132.4 | 60% | 0.597 | 74% | 0.743 | S | S | * | * | trans | -118.9 | 136.5 | -157 | 37.5 | -24.1 | 0 | 0 | 0 | 117.7 | ||||
| 513 | T | 33.9 | Very low | 29.3 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 80% | 0.798 | 74% | 0.738 | S | S | * | * | trans | 65.6 | 147.7 | 159.7 | 66.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 514 | P | 37.4 | Very low | 29.2 | Very low | 118 Ų | 118 | 135.4 Ų | 135.4 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | -135.2 | 167.6 | 97 | 14.8 | 9.5 | 0 | 0 | 0 | 112.7 | |||||
| 515 | V | 30.6 | Very low | 29 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | cis | 80.6 | 120.7 | 37.1 | 175 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 516 | E | 29.4 | Very low | 29.1 | Very low | 146 Ų | 146 | 136.2 Ų | 136.2 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | cis | -162 | 175.8 | -1.6 | -127.7 | -172.5 | 103.6 | 0 | 0 | 114.1 | ||||
| 517 | Q | 27.1 | Very low | 28.9 | Very low | 145 Ų | 145 | 135.5 Ų | 135.5 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | trans | 45.8 | 128.4 | 156.2 | -60.8 | 171.4 | 25.7 | 0 | 0 | 123 | ||||
| 518 | T | 23.4 | Very low | 28.8 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | 168.1 | 146.2 | 104.2 | 35.8 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 519 | V | 25.5 | Very low | 28.7 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 90% | 0.903 | 76% | 0.76 | S | S | * | * | trans | 27.7 | 125.6 | 147.3 | -171.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 520 | G | 26 | Very low | 29.5 | Very low | 78 Ų | 78 | 136.2 Ų | 136.2 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | -165.8 | 138.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 521 | M | 26.2 | Very low | 29.1 | Very low | 166 Ų | 166 | 131.7 Ų | 131.7 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -125.3 | 169.7 | -179.6 | 179.7 | -179.5 | 162.3 | 0 | 0 | 109.9 | ||||
| 522 | M | 25.2 | Very low | 29.3 | Very low | 141 Ų | 141 | 136.5 Ų | 136.5 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | trans | 73.9 | 128.4 | -175.2 | -78 | 88.8 | 173.6 | 0 | 0 | 113.7 | ||||
| 523 | E | 28.5 | Very low | 28.9 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 63% | 0.626 | 77% | 0.771 | S | S | * | * | cis | 83.8 | 105 | 48.7 | -169.6 | -166.9 | 167.5 | 0 | 0 | 112.8 | Q525 | E523-Q525 PolarHBondContact OE1-NE2 2.92Š| ||
| 524 | L | 27.7 | Very low | 28.7 | Very low | 166 Ų | 166 | 136.4 Ų | 136.4 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | trans | -143.4 | 102.1 | 151.8 | -72.1 | 178.1 | 0 | 0 | 0 | 105.8 | ||||
| 525 | Q | 27.1 | Very low | 28.3 | Very low | 142 Ų | 142 | 138.2 Ų | 138.2 | 66% | 0.664 | 78% | 0.778 | S | S | * | * | 64.8 | 126 | 94.5 | -100.5 | 75.3 | 69.7 | 0 | 0 | 115.8 | E523 | E523-Q525 PolarHBondContact OE1-NE2 2.92Š| |||
| 526 | L | 28.9 | Very low | 28.1 | Very low | 179 Ų | 179 | 137 Ų | 137 | 94% | 0.937 | 78% | 0.781 | S | S | * | * | trans | -93.3 | 144.9 | 175.6 | -69.3 | 159.1 | 0 | 0 | 0 | 111.4 | ||||
| 527 | A | 27.7 | Very low | 28 | Very low | 102 Ų | 102 | 139.3 Ų | 139.3 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | -168.3 | 148.7 | 158.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 528 | D | 25.9 | Very low | 28.1 | Very low | 160 Ų | 160 | 138.8 Ų | 138.8 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | cis | -159.9 | 164.6 | -24.2 | -170.2 | 12.2 | 0 | 0 | 0 | 106 | ||||
| 529 | E | 28.2 | Very low | 28.3 | Very low | 161 Ų | 161 | 139.4 Ų | 139.4 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | trans | -75.6 | -179.8 | -179.1 | -87.8 | -76.6 | 111 | 0 | 0 | 113 | ||||
| 530 | P | 42.8 | Very low | 28.4 | Very low | 114 Ų | 114 | 141.2 Ų | 141.2 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | cis | -132.2 | 176.1 | -13.7 | 23.5 | -0.8 | 0 | 0 | 0 | 114.7 | ||||
| 531 | G | 26.3 | Very low | 28.5 | Very low | 68 Ų | 68 | 142.9 Ų | 142.9 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | 137.7 | 115.6 | 129.8 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 532 | R | 31.1 | Very low | 28.6 | Very low | 226 Ų | 226 | 138.4 Ų | 138.4 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | 76.1 | 127.1 | 141.3 | -76.6 | -172.5 | 120.2 | 144.4 | 8.6 | 123.7 | ||||
| 533 | D | 28.6 | Very low | 28.8 | Very low | 127 Ų | 127 | 139.2 Ų | 139.2 | 68% | 0.679 | 80% | 0.804 | S | S | * | * | 67.1 | 87.1 | 129.4 | -54.6 | -20.7 | 0 | 0 | 0 | 120.8 | |||||
| 534 | A | 29.1 | Very low | 28.6 | Very low | 93 Ų | 93 | 141 Ų | 141 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | 47.9 | 119.5 | 124.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 535 | T | 29.6 | Very low | 28.6 | Very low | 156 Ų | 156 | 139 Ų | 139 | 96% | 0.957 | 81% | 0.806 | S | S | * | * | -159.9 | 164.8 | 118.1 | 7.3 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 536 | A | 25.9 | Very low | 28.6 | Very low | 95 Ų | 95 | 137.8 Ų | 137.8 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | -104.4 | 149.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 537 | M | 27.6 | Very low | 28.5 | Very low | 195 Ų | 195 | 137.9 Ų | 137.9 | 96% | 0.961 | 81% | 0.807 | S | S | * | * | trans | -153.6 | 128.6 | 146.1 | -119.4 | 178.5 | 178.4 | 0 | 0 | 110.3 | ||||
| 538 | V | 28.6 | Very low | 28.5 | Very low | 133 Ų | 133 | 138.1 Ų | 138.1 | 81% | 0.806 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 130.2 | 174.6 | 170.3 | 0 | 0 | 0 | 0 | 108.3 | ||
| 539 | V | 27.9 | Very low | 28.6 | Very low | 143 Ų | 143 | 134.4 Ų | 134.4 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 119.3 | 167.1 | 176 | 0 | 0 | 0 | 0 | 108.1 | ||
| 540 | Q | 27.4 | Very low | 28.7 | Very low | 187 Ų | 187 | 134.5 Ų | 134.5 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 129.4 | -178.7 | -144 | 172.5 | 21.3 | 0 | 0 | 109.8 | ||
| 541 | S | 28.9 | Very low | 28.1 | Very low | 113 Ų | 113 | 133 Ų | 133 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | -128.9 | 110.5 | 164.3 | -172.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 542 | G | 28.1 | Very low | 28.3 | Very low | 72 Ų | 72 | 138.4 Ų | 138.4 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | trans | -96.2 | 125.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 543 | I | 29.5 | Very low | 28.3 | Very low | 157 Ų | 157 | 133.8 Ų | 133.8 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | trans | -129.7 | 107.9 | 161 | -55.6 | 178.6 | 0 | 0 | 0 | 105.7 | ||||
| 544 | E | 24.6 | Very low | 28.3 | Very low | 171 Ų | 171 | 132.9 Ų | 132.9 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | trans | -96.9 | 128.3 | -176.2 | -169.4 | 178.2 | 158.5 | 0 | 0 | 109.9 | T546 | E544-T546 HydrophobicContact CG-CG2 4.44Š| ||
| 545 | V | 27.4 | Very low | 28.2 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | trans | -125.6 | 107.9 | 173.2 | 179 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 546 | T | 26.8 | Very low | 27.8 | Very low | 117 Ų | 117 | 133.5 Ų | 133.5 | 72% | 0.718 | 79% | 0.787 | S | S | * | * | trans | -84.1 | 118.7 | -178.2 | 37.1 | 0 | 0 | 0 | 0 | 111.4 | E544 | E544-T546 HydrophobicContact CG-CG2 4.44Š| ||
| 547 | M | 26.4 | Very low | 27.8 | Very low | 181 Ų | 181 | 136.5 Ų | 136.5 | 89% | 0.892 | 79% | 0.785 | S | S | * | * | trans | -91.7 | 142.9 | 162 | -74.2 | -75.1 | -173.4 | 0 | 0 | 109.2 | ||||
| 548 | A | 27.3 | Very low | 27.7 | Very low | 107 Ų | 107 | 133.9 Ų | 133.9 | 88% | 0.884 | 77% | 0.774 | S | S | * | * | trans | -135.4 | 138.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 549 | A | 28.8 | Very low | 27.6 | Very low | 82 Ų | 82 | 135.7 Ų | 135.7 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | trans | -140.1 | -178.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 550 | D | 29.4 | Very low | 27.7 | Very low | 163 Ų | 163 | 136 Ų | 136 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | trans | 69.9 | 158.1 | 166 | -46.6 | -34.9 | 0 | 0 | 0 | 115.7 | ||||
| 551 | A | 30.8 | Very low | 27.7 | Very low | 82 Ų | 82 | 132 Ų | 132 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | cis | -157 | 164.1 | -3.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 552 | E | 30.6 | Very low | 27.7 | Very low | 182 Ų | 182 | 135.5 Ų | 135.5 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | cis | -143.8 | -132.9 | -12.1 | -110.5 | 173.4 | 118.4 | 0 | 0 | 106.4 | ||||
| 553 | D | 30.2 | Very low | 27.7 | Very low | 129 Ų | 129 | 138.4 Ų | 138.4 | 69% | 0.69 | 77% | 0.772 | S | S | * | * | cis | -160.9 | 171.7 | -2.1 | -173.1 | 14 | 0 | 0 | 0 | 108.7 | ||||
| 554 | T | 28.8 | Very low | 27.7 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | trans | 73.8 | 136.4 | 161.4 | 62.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 555 | Q | 26.9 | Very low | 27.9 | Very low | 164 Ų | 164 | 136.6 Ų | 136.6 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | cis | -167.9 | 127.5 | -13.8 | -179.5 | 171.5 | 28.2 | 0 | 0 | 112.9 | ||||
| 556 | C | 21.9 | Very low | 28.1 | Very low | 97 Ų | 97 | 137.7 Ų | 137.7 | 66% | 0.655 | 78% | 0.783 | S | S | * | * | trans | 63.5 | 161.8 | 153.3 | -71.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 557 | Q | 25.4 | Very low | 28.6 | Very low | 158 Ų | 158 | 141 Ų | 141 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | cis | -155.4 | 144.2 | -5 | -125.8 | 165.5 | 74 | 0 | 0 | 113.2 | ||||
| 558 | L | 26 | Very low | 28.9 | Very low | 140 Ų | 140 | 135.8 Ų | 135.8 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | trans | 28.1 | 125.9 | 146.6 | -62.3 | 170.5 | 0 | 0 | 0 | 123.1 | ||||
| 559 | Q | 27.2 | Very low | 29.4 | Very low | 171 Ų | 171 | 138.8 Ų | 138.8 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | -170.1 | 146.9 | 99.9 | -169 | 83 | 88.2 | 0 | 0 | 109.8 | |||||
| 560 | E | 30.3 | Very low | 29.9 | Very low | 151 Ų | 151 | 143.6 Ų | 143.6 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -95.8 | 155.9 | -167.9 | -36.1 | 99.3 | 105.2 | 0 | 0 | 116.8 | ||||
| 561 | A | 26.7 | Very low | 30.3 | Very low | 103 Ų | 103 | 141.6 Ų | 141.6 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | trans | -155 | 130.6 | 143.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 562 | Q | 29.1 | Very low | 31.2 | Very low | 186 Ų | 186 | 141.7 Ų | 141.7 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | trans | -58.5 | 147.7 | -173 | -56.5 | 154.2 | 18.2 | 0 | 0 | 116 | ||||
| 563 | T | 28.7 | Very low | 32.2 | Very low | 132 Ų | 132 | 138.7 Ų | 138.7 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | -164.6 | 129.8 | 118.6 | 30.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 564 | E | 29.3 | Very low | 33.4 | Very low | 195 Ų | 195 | 136.5 Ų | 136.5 | 91% | 0.911 | 77% | 0.771 | S | S | * | * | trans | 36.8 | 135.1 | 150.1 | -57.2 | -173.7 | 133.3 | 0 | 0 | 122 | ||||
| 565 | A | 28.8 | Very low | 34.6 | Very low | 96 Ų | 96 | 134.4 Ų | 134.4 | 79% | 0.793 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 141.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 566 | V | 30.3 | Very low | 35.5 | Very low | 147 Ų | 147 | 133.6 Ų | 133.6 | 89% | 0.891 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 125.7 | 162.3 | -179.6 | 0 | 0 | 0 | 0 | 107.9 | ||
| 567 | Q | 38.7 | Very low | 36.4 | Very low | 186 Ų | 186 | 135.2 Ų | 135.2 | 87% | 0.869 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 124.8 | -175.1 | -72.1 | 165.2 | -18.8 | 0 | 0 | 110.9 | ||
| 568 | G | 32.5 | Very low | 37.3 | Very low | 71 Ų | 71 | 132.6 Ų | 132.6 | 73% | 0.732 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 146.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 569 | L | 38.2 | Very low | 38.2 | Very low | 170 Ų | 170 | 129.4 Ų | 129.4 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 128.6 | 174.1 | -62.8 | 172.7 | 0 | 0 | 0 | 109.8 | ||
| 570 | Q | 37.8 | Very low | 38.8 | Very low | 184 Ų | 184 | 126.5 Ų | 126.5 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | -113.5 | 131 | 178.9 | -169 | 161.6 | 12.2 | 0 | 0 | 110.4 | ||||
| 571 | L | 39.3 | Very low | 39 | Very low | 120 Ų | 120 | 127.7 Ų | 127.7 | 63% | 0.628 | 77% | 0.768 | S | S | * | * | trans | -93.3 | 142.8 | 175.2 | -71.5 | 166.4 | 0 | 0 | 0 | 109.9 | L577 | L571-L577 HydrophobicContact CD2-CD2 3.58Å; L571-L577 HydrophobicContact CD2-CG 4.05Å | ||
| 572 | D | 49.5 | Very low | 39.9 | Very low | 85 Ų | 85 | 129.3 Ų | 129.3 | 46% | 0.455 | 76% | 0.76 | S | S | . | * | trans | -95.5 | 167.8 | 168.2 | 79.1 | 40.7 | 0 | 0 | 0 | 112.3 | S574 G575 | D572-S574 PolarHBondContact O-N 3.17Å; D572-S574 VanDerWaalsContact O-N 3.07Å; D572-S574 WeakPolarHBondContact OD1-CA 3.43Å; D572-S574 VanDerWaalsContact OD1-CB 3.26Å; D572-S574 WeakPolarHBondContact OD1-CB 3.25Å; D572-S574 PolarHBondContact OD1-N 3.01Å; D572-S574 PolarHBondContact OD1-OG 2.77Å; D572-G575 PolarHBondContact O-N 3.04Å | ||
| 573 | A | 49.9 | Very low | 40.4 | Very low | 118 Ų | 118 | 125.6 Ų | 125.6 | 98% | 0.975 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 5.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 574 | S | 55.9 | Low | 40.9 | Very low | 84 Ų | 84 | 124.8 Ų | 124.8 | 59% | 0.587 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | -9.1 | 172.3 | 76.8 | 0 | 0 | 0 | 0 | 113.8 | D572 | D572-S574 PolarHBondContact O-N 3.17Å; D572-S574 VanDerWaalsContact O-N 3.07Å; D572-S574 WeakPolarHBondContact OD1-CA 3.43Å; D572-S574 VanDerWaalsContact OD1-CB 3.26Å; D572-S574 WeakPolarHBondContact OD1-CB 3.25Å; D572-S574 PolarHBondContact OD1-N 3.01Å; D572-S574 PolarHBondContact OD1-OG 2.77Å |
| 575 | G | 54.9 | Low | 41.3 | Very low | 64 Ų | 64 | 122.6 Ų | 122.6 | 66% | 0.66 | 74% | 0.738 | S | S | * | * | trans | 77.3 | 14.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | D572 | D572-G575 PolarHBondContact O-N 3.04Š| ||
| 576 | Q | 44.6 | Very low | 41.7 | Very low | 147 Ų | 147 | 126.2 Ų | 126.2 | 69% | 0.687 | 74% | 0.739 | S | S | * | * | trans | -96.3 | 134.7 | 174.3 | -62 | -163.4 | 12.7 | 0 | 0 | 112.5 | S578 | Q576-S578 PolarHBondContact O-N 3.43Å; Q576-S578 VanDerWaalsContact O-N 3.16Å | ||
| 577 | L | 42.2 | Very low | 41.9 | Very low | 131 Ų | 131 | 127.5 Ų | 127.5 | 69% | 0.686 | 74% | 0.735 | S | S | * | * | trans | -83.3 | 81.9 | 176.4 | -81.8 | 164.3 | 0 | 0 | 0 | 111.3 | L571 | L571-L577 HydrophobicContact CD2-CD2 3.58Å; L571-L577 HydrophobicContact CD2-CG 4.05Å | ||
| 578 | S | 42.7 | Very low | 41.5 | Very low | 104 Ų | 104 | 125 Ų | 125 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | 121 | 167.8 | 63.5 | 0 | 0 | 0 | 0 | 110.5 | Q576 | Q576-S578 PolarHBondContact O-N 3.43Å; Q576-S578 VanDerWaalsContact O-N 3.16Å |
| 579 | G | 45.3 | Very low | 42 | Very low | 73 Ų | 73 | 127.1 Ų | 127.1 | 75% | 0.753 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 141.5 | -6.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | Q581 | G579-Q581 PolarHBondContact O-N 2.75Š|
| 580 | V | 40.7 | Very low | 41.9 | Very low | 110 Ų | 110 | 126.5 Ų | 126.5 | 67% | 0.667 | 72% | 0.719 | S | S | * | * | trans | -80.6 | 104.3 | 178.3 | -175 | 0 | 0 | 0 | 0 | 110.9 | I582 | V580-I582 HydrophobicContact CG1-CG1 4.03Å; V580-I582 PolarHBondContact O-N 3.07Å; V580-I582 VanDerWaalsContact O-N 3.13Å | ||
| 581 | Q | 35 | Very low | 42 | Very low | 175 Ų | 175 | 125.2 Ų | 125.2 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | trans | -76.1 | 95.9 | 168.7 | -171.7 | 172.1 | 27.5 | 0 | 0 | 109.9 | G579 V583 | G579-Q581 PolarHBondContact O-N 2.75Å; Q581-V583 PolarHBondContact O-N 3.47Å; Q581-V583 VanDerWaalsContact O-N 3.11Å | ||
| 582 | I | 44.4 | Very low | 41.8 | Very low | 137 Ų | 137 | 125.8 Ų | 125.8 | 70% | 0.703 | 72% | 0.722 | S | S | * | * | trans | -71.9 | 103.8 | 176.8 | -57.5 | 176.1 | 0 | 0 | 0 | 109.1 | V580 V584 | V580-I582 HydrophobicContact CG1-CG1 4.03Å; V580-I582 PolarHBondContact O-N 3.07Å; V580-I582 VanDerWaalsContact O-N 3.13Å; I582-V584 HydrophobicContact CG2-CG2 4.27Å; I582-V584 PolarHBondContact O-N 3.25Å | ||
| 583 | V | 39.4 | Very low | 41.1 | Very low | 109 Ų | 109 | 128 Ų | 128 | 66% | 0.661 | 73% | 0.733 | S | S | * | * | trans | -83.2 | 103.4 | 167.9 | -179.8 | 0 | 0 | 0 | 0 | 108.4 | Q581 I585 | Q581-V583 PolarHBondContact O-N 3.47Å; Q581-V583 VanDerWaalsContact O-N 3.11Å; V583-I585 HydrophobicContact CG1-CG1 4.19Å; V583-I585 PolarHBondContact O-N 3.24Å | ||
| 584 | V | 38.8 | Very low | 40.5 | Very low | 114 Ų | 114 | 131.9 Ų | 131.9 | 69% | 0.691 | 73% | 0.728 | S | S | * | * | trans | -72.7 | 115.9 | 167.3 | -179.5 | 0 | 0 | 0 | 0 | 107.9 | I582 E586 | I582-V584 HydrophobicContact CG2-CG2 4.27Å; I582-V584 PolarHBondContact O-N 3.25Å; V584-E586 HydrophobicContact CG1-CG 4.19Å | ||
| 585 | I | 38.1 | Very low | 39.7 | Very low | 150 Ų | 150 | 132.3 Ų | 132.3 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | trans | -94 | 104.2 | 168.5 | -58.6 | 178.1 | 0 | 0 | 0 | 106.6 | V583 | V583-I585 HydrophobicContact CG1-CG1 4.19Å; V583-I585 PolarHBondContact O-N 3.24Å | ||
| 586 | E | 37.2 | Very low | 38.7 | Very low | 172 Ų | 172 | 142.7 Ų | 142.7 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -71.8 | 127.6 | 171.6 | -65.4 | -175 | 130.9 | 0 | 0 | 109.9 | V584 N588 | V584-E586 HydrophobicContact CG1-CG 4.19Å; E586-N588 PolarHBondContact O-N 3.49Å | ||
| 587 | E | 33.8 | Very low | 38.5 | Very low | 174 Ų | 174 | 142.5 Ų | 142.5 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | trans | -76.1 | 90.7 | 176 | -170.6 | 178 | 150.7 | 0 | 0 | 109.6 | T589 | E587-T589 HydrophobicContact CG-CG2 4.43Å; E587-T589 PolarHBondContact O-N 3.37Å | ||
| 588 | N | 31.3 | Very low | 38.3 | Very low | 134 Ų | 134 | 143.1 Ų | 143.1 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | trans | -73.2 | 87.9 | 178.8 | -175.5 | 32.3 | 0 | 0 | 0 | 111 | E586 Q590 | E586-N588 PolarHBondContact O-N 3.49Å; N588-Q590 PolarHBondContact O-N 3.14Å | ||
| 589 | T | 42.1 | Very low | 38 | Very low | 114 Ų | 114 | 145.2 Ų | 145.2 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | trans | -68.9 | 89.7 | 175.2 | 54.2 | 0 | 0 | 0 | 0 | 111.1 | E587 | E587-T589 HydrophobicContact CG-CG2 4.43Å; E587-T589 PolarHBondContact O-N 3.37Å | ||
| 590 | Q | 36.9 | Very low | 37.6 | Very low | 157 Ų | 157 | 149.5 Ų | 149.5 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -109.5 | 88.4 | 169.6 | -170.7 | 168.7 | 3.2 | 0 | 0 | 111 | N588 D592 | N588-Q590 PolarHBondContact O-N 3.14Å; Q590-D592 PolarHBondContact O-N 3.08Å | ||
| 591 | D | 39.8 | Very low | 37.4 | Very low | 157 Ų | 157 | 151.9 Ų | 151.9 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | trans | -55.2 | 130.4 | 151.5 | -79.3 | -65.4 | 0 | 0 | 0 | 109.3 | ||||
| 592 | D | 35.3 | Very low | 37.5 | Very low | 133 Ų | 133 | 150.4 Ų | 150.4 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | -167.7 | 154.4 | 124.3 | -147.2 | -12.3 | 0 | 0 | 0 | 113.3 | Q590 | Q590-D592 PolarHBondContact O-N 3.08Š| |||
| 593 | N | 35 | Very low | 37.1 | Very low | 131 Ų | 131 | 151.4 Ų | 151.4 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | 64.3 | 135.5 | 166.7 | -68.9 | -81.3 | 0 | 0 | 0 | 117.4 | ||||
| 594 | K | 36.6 | Very low | 36.9 | Very low | 199 Ų | 199 | 154.6 Ų | 154.6 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | cis | -155.9 | 141.9 | 41.6 | -170.4 | 171.2 | -176.3 | 170.5 | 0 | 113.2 | ||||
| 595 | A | 39.4 | Very low | 36.7 | Very low | 94 Ų | 94 | 158 Ų | 158 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | trans | -66.5 | 146.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 596 | K | 35.3 | Very low | 36.6 | Very low | 281 Ų | 281 | 158.7 Ų | 158.7 | 100% | 1.222 | 81% | 0.807 | S | S | * | * | trans | -153.7 | 0 | 133.3 | -145 | 179.7 | -176.3 | -176.6 | 0 | 112.4 |
Retrieved 596 of 596 residues in 234.3 ms
(Link to these results)