| 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 | 55.5 | Low | 54.4 | Low | 232 Ų | 232 | 164.7 Ų | 164.7 | 100% | 1.143 | 86% | 0.86 | S | S | * | * | 0 | 126.8 | 0 | -70.2 | 160.8 | 63.9 | 0 | 0 | 108.9 | |||||
| 2 | L | 51.3 | Low | 53.6 | Low | 154 Ų | 154 | 167.4 Ų | 167.4 | 81% | 0.806 | 86% | 0.86 | S | S | * | * | trans | -155.2 | 98.8 | 158.5 | -138.6 | 75.3 | 0 | 0 | 0 | 109.8 | ||||
| 3 | R | 59.6 | Low | 53.2 | Low | 249 Ų | 249 | 167.8 Ų | 167.8 | 94% | 0.94 | 86% | 0.856 | S | S | * | * | trans | -81.2 | 128.4 | 174.2 | -62.1 | 170 | 79.2 | 171.4 | 5.1 | 107.8 | ||||
| 4 | R | 65.4 | Low | 53 | Low | 227 Ų | 227 | 162.4 Ų | 162.4 | 86% | 0.857 | 84% | 0.838 | S | S | * | * | trans | -111.5 | 140.2 | 163.8 | -75.8 | -173.8 | 171.3 | 168.6 | -1.9 | 109.8 | ||||
| 5 | K | 68.7 | Low | 51.9 | Low | 197 Ų | 197 | 160.7 Ų | 160.7 | 86% | 0.857 | 84% | 0.838 | S | S | * | * | trans | -85.7 | 160.3 | -172.1 | -72.4 | -177 | 176.1 | -177.8 | 0 | 111 | ||||
| 6 | P | 59.8 | Low | 51.6 | Low | 128 Ų | 128 | 161.9 Ų | 161.9 | 83% | 0.831 | 84% | 0.838 | S | S | * | * | trans | -73.7 | 143.1 | 174.7 | 31.4 | -35.2 | 0 | 0 | 0 | 111.5 | ||||
| 7 | S | 52.8 | Low | 51.3 | Low | 128 Ų | 128 | 163.6 Ų | 163.6 | 90% | 0.895 | 84% | 0.838 | S | S | * | * | trans | -100.1 | 112.1 | 169.6 | -64.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 8 | N | 45.8 | Very low | 51 | Low | 157 Ų | 157 | 166 Ų | 166 | 84% | 0.84 | 84% | 0.841 | S | S | * | * | trans | -110.2 | 124.6 | 172.3 | -170.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 9 | A | 47.4 | Very low | 51.1 | Low | 104 Ų | 104 | 167.3 Ų | 167.3 | 86% | 0.86 | 84% | 0.84 | S | S | * | * | trans | -146.3 | 114.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 10 | S | 50.5 | Low | 50.9 | Low | 107 Ų | 107 | 167.7 Ų | 167.7 | 75% | 0.748 | 84% | 0.844 | S | S | * | * | trans | -111.5 | 165 | 178.5 | -171.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 11 | D | 41.3 | Very low | 50.7 | Low | 129 Ų | 129 | 164.6 Ų | 164.6 | 69% | 0.69 | 84% | 0.838 | S | S | * | * | trans | 88.6 | 98 | 154.1 | -130.4 | -90.2 | 0 | 0 | 0 | 119 | ||||
| 12 | K | 44.7 | Very low | 50.3 | Low | 197 Ų | 197 | 161.3 Ų | 161.3 | 86% | 0.857 | 82% | 0.824 | S | S | * | * | -162.9 | 137.9 | 95.8 | -98.6 | 168.9 | -178.5 | 175.2 | 0 | 113.2 | |||||
| 13 | E | 48.8 | Very low | 50.4 | Low | 172 Ų | 172 | 162.7 Ų | 162.7 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -83.9 | -173.3 | 175.6 | -114.1 | -149.9 | 128.5 | 0 | 0 | 111.6 | ||||
| 14 | P | 50.2 | Low | 49.7 | Very low | 93 Ų | 93 | 162.1 Ų | 162.1 | 60% | 0.604 | 83% | 0.825 | S | S | * | * | -131.4 | 166.4 | -52.3 | 32.7 | -15.9 | 0 | 0 | 0 | 112.8 | |||||
| 15 | T | 37 | Very low | 48.8 | Very low | 136 Ų | 136 | 157.2 Ų | 157.2 | 83% | 0.834 | 83% | 0.825 | S | S | * | * | trans | -155.7 | 120.2 | 152.6 | -0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 16 | Q | 47.7 | Very low | 47.7 | Very low | 181 Ų | 181 | 153.5 Ų | 153.5 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | trans | 48.8 | 97.1 | 153.4 | -62.8 | -174.4 | 7.2 | 0 | 0 | 120 | ||||
| 17 | K | 45.8 | Very low | 47.1 | Very low | 191 Ų | 191 | 153 Ų | 153 | 83% | 0.83 | 82% | 0.823 | S | S | * | * | trans | -80.2 | 128.3 | 163.4 | -61.6 | 164.3 | -175 | 164.4 | 0 | 110.1 | ||||
| 18 | K | 46.3 | Very low | 46.8 | Very low | 206 Ų | 206 | 155.3 Ų | 155.3 | 90% | 0.896 | 82% | 0.818 | S | S | * | * | trans | -105.8 | 97.2 | 157.7 | -74.1 | -176.2 | 179.9 | 177.3 | 0 | 109 | ||||
| 19 | K | 51.7 | Low | 47.1 | Very low | 191 Ų | 191 | 155.2 Ų | 155.2 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | trans | -94.2 | 122.1 | 169 | -80.7 | -170.4 | 172.8 | -172.3 | 0 | 109.2 | S21 | K19-S21 PolarHBondContact O-N 3.41Š| ||
| 20 | L | 47.6 | Very low | 47 | Very low | 174 Ų | 174 | 157.6 Ų | 157.6 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | trans | -73.1 | 101 | 166.8 | -68 | 167.1 | 0 | 0 | 0 | 108.6 | L22 | L20-L22 PolarHBondContact O-N 3.14Š| ||
| 21 | S | 48 | Very low | 46.9 | Very low | 103 Ų | 103 | 162.9 Ų | 162.9 | 72% | 0.72 | 82% | 0.818 | S | S | * | * | trans | -81.1 | 109.7 | 169.4 | 54.2 | 0 | 0 | 0 | 0 | 109.7 | K19 Q23 | K19-S21 PolarHBondContact O-N 3.41Å; S21-Q23 PolarHBondContact O-N 2.85Å | ||
| 22 | L | 45.6 | Very low | 47 | Very low | 164 Ų | 164 | 160.6 Ų | 160.6 | 86% | 0.859 | 82% | 0.817 | S | S | * | * | trans | -60.8 | 109 | 162.8 | -88.6 | 97.2 | 0 | 0 | 0 | 108.7 | L20 R24 | L20-L22 PolarHBondContact O-N 3.14Å; L22-R24 PolarHBondContact O-N 3.31Å; L22-R24 VanDerWaalsContact O-N 3.09Å | ||
| 23 | Q | 53.4 | Low | 47.1 | Very low | 182 Ų | 182 | 161.3 Ų | 161.3 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | trans | -64.6 | 109.1 | 166.8 | -73.6 | -176.4 | -100.7 | 0 | 0 | 108.6 | S21 S25 | S21-Q23 PolarHBondContact O-N 2.85Å; Q23-S25 PolarHBondContact O-N 3.35Å | ||
| 24 | R | 45 | Very low | 47 | Very low | 238 Ų | 238 | 159 Ų | 159 | 90% | 0.898 | 82% | 0.823 | S | S | * | * | trans | -77.4 | 112.5 | 160.6 | -68.7 | 177.1 | 68.2 | 175.6 | 1.4 | 107 | L22 S26 | L22-R24 PolarHBondContact O-N 3.31Å; L22-R24 VanDerWaalsContact O-N 3.09Å; R24-S26 PolarHBondContact O-N 3.16Å | ||
| 25 | S | 47.7 | Very low | 47.3 | Very low | 124 Ų | 124 | 164 Ų | 164 | 87% | 0.867 | 84% | 0.835 | S | S | * | * | trans | -62 | 100.7 | 176 | -39.7 | 0 | 0 | 0 | 0 | 110.1 | Q23 | Q23-S25 PolarHBondContact O-N 3.35Š| ||
| 26 | S | 44.5 | Very low | 47.8 | Very low | 119 Ų | 119 | 163.9 Ų | 163.9 | 83% | 0.832 | 84% | 0.836 | S | S | * | * | trans | -89.2 | 112.5 | 162.2 | -176.8 | 0 | 0 | 0 | 0 | 107.5 | R24 | R24-S26 PolarHBondContact O-N 3.16Š| ||
| 27 | S | 48.1 | Very low | 47.4 | Very low | 116 Ų | 116 | 160.6 Ų | 160.6 | 81% | 0.811 | 83% | 0.833 | S | S | * | * | trans | -129.1 | 109.3 | 170.1 | -168.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 28 | F | 45.4 | Very low | 47.3 | Very low | 178 Ų | 178 | 156.4 Ų | 156.4 | 78% | 0.781 | 83% | 0.828 | S | S | * | * | trans | -130.4 | 139.7 | 179 | 174.9 | -96.5 | 0 | 0 | 0 | 107.7 | ||||
| 29 | K | 52.4 | Low | 47.1 | Very low | 155 Ų | 155 | 152.2 Ų | 152.2 | 67% | 0.674 | 82% | 0.822 | S | S | * | * | trans | 73 | 132 | -159.6 | -59.8 | 170.3 | 175 | 177.4 | 0 | 111.9 | ||||
| 30 | D | 45.3 | Very low | 46.4 | Very low | 154 Ų | 154 | 148.7 Ų | 148.7 | 82% | 0.824 | 82% | 0.816 | S | S | * | * | cis | -130.3 | 148.7 | 42.7 | -99.4 | -72.6 | 0 | 0 | 0 | 116.6 | ||||
| 31 | F | 48.4 | Very low | 45.8 | Very low | 218 Ų | 218 | 146.2 Ų | 146.2 | 96% | 0.956 | 81% | 0.808 | S | S | * | * | trans | -120.9 | 91.1 | 177.3 | -117.5 | -87.4 | 0 | 0 | 0 | 108.9 | ||||
| 32 | A | 43.5 | Very low | 45.3 | Very low | 81 Ų | 81 | 146.5 Ų | 146.5 | 67% | 0.669 | 81% | 0.81 | S | S | * | * | trans | -151.9 | 107.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 33 | K | 47.8 | Very low | 44.8 | Very low | 212 Ų | 212 | 147 Ų | 147 | 92% | 0.922 | 81% | 0.808 | S | S | * | * | trans | 48.2 | 97.7 | 140.1 | -60 | 168.8 | 179.2 | 172.8 | 0 | 118.1 | ||||
| 34 | S | 46.4 | Very low | 44.1 | Very low | 123 Ų | 123 | 147.5 Ų | 147.5 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -139.6 | 138.5 | 133.9 | 51.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 35 | K | 54.8 | Low | 43.8 | Very low | 199 Ų | 199 | 144.2 Ų | 144.2 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 143 | 179.5 | -59.6 | 175.3 | -179.5 | 179 | 0 | 108.8 | S37 | K35-S37 PolarHBondContact O-N 2.71Š|
| 36 | P | 48.1 | Very low | 42.8 | Very low | 133 Ų | 133 | 147.9 Ų | 147.9 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 116.6 | 163.2 | 28.8 | -31.1 | 0 | 0 | 0 | 108.9 | ||
| 37 | S | 39.1 | Very low | 42.2 | Very low | 112 Ų | 112 | 148.6 Ų | 148.6 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 125.9 | 166.7 | -171.7 | 0 | 0 | 0 | 0 | 108.6 | K35 | K35-S37 PolarHBondContact O-N 2.71Š|
| 38 | S | 43.6 | Very low | 41.6 | Very low | 102 Ų | 102 | 150.4 Ų | 150.4 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 145 | 168.5 | -56.5 | 0 | 0 | 0 | 0 | 111.1 | ||
| 39 | P | 42.8 | Very low | 41 | Very low | 118 Ų | 118 | 148.9 Ų | 148.9 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | trans | -95.5 | 110.9 | 136.1 | 31.1 | -22 | 0 | 0 | 0 | 107.3 | ||||
| 40 | V | 36 | Very low | 40.1 | Very low | 118 Ų | 118 | 147.6 Ų | 147.6 | 72% | 0.715 | 80% | 0.798 | S | S | * | * | 58.1 | 104.4 | 87.8 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 41 | V | 34.9 | Very low | 39.4 | Very low | 121 Ų | 121 | 147 Ų | 147 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | trans | -62 | 127.5 | 165.1 | 177.3 | 0 | 0 | 0 | 0 | 107.9 | E43 | V41-E43 HydrophobicContact CG1-CG 4Š| ||
| 42 | S | 37.6 | Very low | 38.8 | Very low | 110 Ų | 110 | 144.1 Ų | 144.1 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -100.5 | 102.3 | 165.8 | -71.2 | 0 | 0 | 0 | 0 | 108.6 | K44 | S42-K44 PolarHBondContact O-N 2.58Š| ||
| 43 | E | 36 | Very low | 38.9 | Very low | 174 Ų | 174 | 145.4 Ų | 145.4 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -71.3 | 112 | 169.7 | -60.3 | 164.9 | -155.8 | 0 | 0 | 107.7 | V41 | V41-E43 HydrophobicContact CG1-CG 4Š| ||
| 44 | K | 39.7 | Very low | 38.3 | Very low | 192 Ų | 192 | 144.1 Ų | 144.1 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | -143.2 | 104.3 | 169 | -156.7 | 73.1 | -176.6 | 170.8 | 0 | 110.2 | S42 F46 | S42-K44 PolarHBondContact O-N 2.58Å; K44-F46 PolarHBondContact O-N 3.44Å | ||
| 45 | E | 36.9 | Very low | 37.6 | Very low | 169 Ų | 169 | 145.3 Ų | 145.3 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | -56.1 | 127.2 | 173 | -57.4 | 139.3 | 125.7 | 0 | 0 | 109.3 | ||||
| 46 | F | 26.7 | Very low | 36.6 | Very low | 202 Ų | 202 | 142.9 Ų | 142.9 | 89% | 0.886 | 78% | 0.779 | S | S | * | * | trans | -98 | 106.1 | 163.5 | -167.7 | -99.3 | 0 | 0 | 0 | 107.2 | K44 | K44-F46 PolarHBondContact O-N 3.44Š| ||
| 47 | N | 32.1 | Very low | 35.9 | Very low | 133 Ų | 133 | 141.6 Ų | 141.6 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | trans | -68.1 | 137.8 | 175.1 | -89.8 | -103.2 | 0 | 0 | 0 | 109.5 | ||||
| 48 | L | 36.4 | Very low | 35.5 | Very low | 155 Ų | 155 | 140.1 Ų | 140.1 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | -80.9 | 123.4 | 163.2 | -178.8 | 75.6 | 0 | 0 | 0 | 107.3 | ||||
| 49 | D | 33.3 | Very low | 34.9 | Very low | 145 Ų | 145 | 141.6 Ų | 141.6 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | trans | -171.5 | 125.6 | 140.6 | -117.1 | 36.3 | 0 | 0 | 0 | 112.7 | ||||
| 50 | D | 32.9 | Very low | 34.3 | Very low | 129 Ų | 129 | 144.1 Ų | 144.1 | 69% | 0.69 | 79% | 0.787 | S | S | * | * | trans | 46.2 | 108 | 131.3 | -132.4 | -119.4 | 0 | 0 | 0 | 121.8 | ||||
| 51 | N | 30.9 | Very low | 34.1 | Very low | 140 Ų | 140 | 144.4 Ų | 144.4 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | 165.9 | 136.8 | 113.5 | -95.3 | -87.4 | 0 | 0 | 0 | 115.1 | |||||
| 52 | I | 35.7 | Very low | 34.7 | Very low | 158 Ų | 158 | 144 Ų | 144 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | -148.9 | 141.1 | 167.8 | -80.7 | 178.3 | 0 | 0 | 0 | 103.1 | ||||
| 53 | P | 45.3 | Very low | 34.3 | Very low | 108 Ų | 108 | 148.5 Ų | 148.5 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | cis | -142.7 | -157.2 | 37.7 | 29.4 | -2.6 | 0 | 0 | 0 | 115.8 | ||||
| 54 | E | 35.3 | Very low | 34.1 | Very low | 186 Ų | 186 | 147.5 Ų | 147.5 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | trans | 86.7 | 143 | 163.9 | -51 | -166.1 | 147.5 | 0 | 0 | 115.6 | ||||
| 55 | D | 31.7 | Very low | 33.7 | Very low | 148 Ų | 148 | 143.6 Ų | 143.6 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | cis | 176.2 | 135.2 | -17.9 | 173.7 | -115.7 | 0 | 0 | 0 | 103.2 | ||||
| 56 | D | 33.8 | Very low | 33.5 | Very low | 147 Ų | 147 | 138.8 Ų | 138.8 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | -177 | 155 | 144.9 | -164.5 | -156.3 | 0 | 0 | 0 | 111.2 | ||||
| 57 | S | 34.1 | Very low | 34.3 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -87.6 | 156.4 | -174.4 | -64.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 58 | G | 29.7 | Very low | 34.5 | Very low | 80 Ų | 80 | 137 Ų | 137 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -172.1 | 83.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 59 | V | 30.2 | Very low | 34.8 | Very low | 134 Ų | 134 | 133.8 Ų | 133.8 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | -88.1 | 124.5 | 170.5 | 168.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 60 | L | 31.1 | Very low | 35.5 | Very low | 171 Ų | 171 | 135.1 Ų | 135.1 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | trans | -148.2 | 144.7 | 151.3 | -78.8 | -174.9 | 0 | 0 | 0 | 111.1 | ||||
| 61 | T | 31.7 | Very low | 36.4 | Very low | 124 Ų | 124 | 139 Ų | 139 | 76% | 0.761 | 80% | 0.8 | S | S | * | * | trans | -117.4 | -168.1 | 177.2 | 54.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 62 | P | 47.7 | Very low | 37.2 | Very low | 111 Ų | 111 | 141 Ų | 141 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | -128.4 | 151.5 | -86.6 | 38.4 | -22.4 | 0 | 0 | 0 | 114.1 | |||||
| 63 | E | 29.2 | Very low | 37.7 | Very low | 206 Ų | 206 | 135.8 Ų | 135.8 | 96% | 0.963 | 80% | 0.795 | S | S | * | * | trans | -151 | 164.1 | 165.8 | 23 | -158.1 | 101.8 | 0 | 0 | 116.7 | ||||
| 64 | D | 31.6 | Very low | 38.3 | Very low | 153 Ų | 153 | 139.1 Ų | 139.1 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -78 | 150.5 | -153.4 | 178 | -110.6 | 0 | 0 | 0 | 116.4 | ||||
| 65 | S | 32.2 | Very low | 39.3 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | 176.7 | 138.9 | 128.4 | 44.2 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 66 | G | 31.3 | Very low | 39.8 | Very low | 67 Ų | 67 | 142.7 Ų | 142.7 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | 91.8 | 87.3 | 126.1 | 0 | 0 | 0 | 0 | 0 | 120 | S68 | G66-S68 PolarHBondContact O-N 2.94Š| |||
| 67 | K | 43.6 | Very low | 41 | Very low | 212 Ų | 212 | 144.5 Ų | 144.5 | 92% | 0.922 | 79% | 0.794 | S | S | * | * | trans | -16.2 | 123.4 | 153.2 | -67.8 | 166.2 | 175.9 | 167.2 | 0 | 116.5 | ||||
| 68 | S | 36.1 | Very low | 42 | Very low | 87 Ų | 87 | 143 Ų | 143 | 61% | 0.608 | 79% | 0.788 | S | S | * | * | trans | -156.3 | 90.5 | 153.4 | -141.8 | 0 | 0 | 0 | 0 | 114.7 | G66 K70 | G66-S68 PolarHBondContact O-N 2.94Å; S68-K70 PolarHBondContact O-N 3.36Å; S68-K70 WeakPolarHBondContact OG-CE 3.38Å | ||
| 69 | G | 44.4 | Very low | 43.2 | Very low | 87 Ų | 87 | 144.4 Ų | 144.4 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | trans | -72.1 | 123 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 70 | K | 46.3 | Very low | 44.3 | Very low | 172 Ų | 172 | 144.3 Ų | 144.3 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | -130.8 | 118.8 | -178.5 | -65.3 | -178.1 | -172.8 | 172 | 0 | 112 | S68 L72 | S68-K70 PolarHBondContact O-N 3.36Å; S68-K70 WeakPolarHBondContact OG-CE 3.38Å; K70-L72 PolarHBondContact O-N 3.13Å | ||
| 71 | K | 52.7 | Low | 45.4 | Very low | 210 Ų | 210 | 140.4 Ų | 140.4 | 91% | 0.913 | 76% | 0.761 | S | S | * | * | trans | -61.2 | 121.1 | -179.5 | -66.2 | 168.4 | 175.5 | 172.1 | 0 | 111.6 | G73 | K71-G73 PolarHBondContact O-N 3.17Š| ||
| 72 | L | 47.2 | Very low | 46.5 | Very low | 183 Ų | 183 | 145.5 Ų | 145.5 | 96% | 0.958 | 77% | 0.766 | S | S | * | * | trans | -72.4 | 88.3 | 171.1 | -97.8 | 160.3 | 0 | 0 | 0 | 111.2 | K70 | K70-L72 PolarHBondContact O-N 3.13Š| ||
| 73 | G | 46.4 | Very low | 46.8 | Very low | 48 Ų | 48 | 146.1 Ų | 146.1 | 50% | 0.495 | 77% | 0.768 | S | S | . | * | trans | -87.3 | 128.8 | -175 | 0 | 0 | 0 | 0 | 0 | 115.4 | K71 K75 | K71-G73 PolarHBondContact O-N 3.17Å; G73-K75 VanDerWaalsContact C-N 3.33Å; G73-K75 PolarHBondContact O-N 3.15Å | ||
| 74 | K | 57.5 | Low | 47.8 | Very low | 178 Ų | 178 | 143.9 Ų | 143.9 | 77% | 0.774 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 65.4 | -1.4 | 135.9 | -56.6 | 176.5 | -178.3 | 178.1 | 0 | 120.1 | ||
| 75 | K | 57.8 | Low | 49.1 | Very low | 186 Ų | 186 | 143.9 Ų | 143.9 | 81% | 0.809 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -8.6 | -171.4 | -150.1 | 160.9 | -178.8 | 178.4 | 0 | 116.9 | G73 R77 | G73-K75 VanDerWaalsContact C-N 3.33Å; G73-K75 PolarHBondContact O-N 3.15Å; K75-R77 PolarHBondContact O-N 2.84Å |
| 76 | W | 41.8 | Very low | 50.4 | Low | 224 Ų | 224 | 150.2 Ų | 150.2 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -16.1 | -176.8 | -71 | 82 | 0 | 0 | 0 | 115.6 | A78 | W76-A78 VanDerWaalsContact C-N 3.33Å; W76-A78 PolarHBondContact O-N 3.39Å |
| 77 | R | 58.1 | Low | 51.6 | Low | 185 Ų | 185 | 156.5 Ų | 156.5 | 70% | 0.698 | 78% | 0.775 | S | S | * | * | H | α-helix | trans | -72.6 | -18.2 | -176.4 | -69.7 | -162.5 | -64.8 | -100.1 | 5.2 | 115.2 | K75 S81 | K75-R77 PolarHBondContact O-N 2.84Å; R77-S81 PolarHBondContact O-OG 3.41Å |
| 78 | A | 55.9 | Low | 52.1 | Low | 76 Ų | 76 | 156.1 Ų | 156.1 | 63% | 0.628 | 78% | 0.779 | S | S | * | * | H | α-helix | trans | -83.7 | -19.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | W76 | W76-A78 VanDerWaalsContact C-N 3.33Å; W76-A78 PolarHBondContact O-N 3.39Å |
| 79 | V | 55 | Low | 52.9 | Low | 108 Ų | 108 | 155.6 Ų | 155.6 | 66% | 0.655 | 79% | 0.787 | S | S | * | * | H | α-helix | trans | -80.1 | -36.9 | -177.6 | -177.1 | 0 | 0 | 0 | 0 | 111.3 | S81 R82 | V79-S81 VanDerWaalsContact C-N 3.32Å; V79-S81 PolarHBondContact O-N 3.08Å; V79-R82 PolarHBondContact O-N 3.24Å |
| 80 | I | 52.8 | Low | 53.4 | Low | 133 Ų | 133 | 161.2 Ų | 161.2 | 68% | 0.682 | 79% | 0.787 | S | S | * | * | H | α-helix | trans | -69.3 | -28.9 | -177.3 | -58.2 | 174.4 | 0 | 0 | 0 | 111.9 | R82 | I80-R82 PolarHBondContact O-N 3.26Å |
| 81 | S | 53.5 | Low | 53.5 | Low | 89 Ų | 89 | 162.2 Ų | 162.2 | 62% | 0.622 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -13.1 | -177.6 | -51 | 0 | 0 | 0 | 0 | 114.9 | R77 V79 | R77-S81 PolarHBondContact O-OG 3.41Å; V79-S81 VanDerWaalsContact C-N 3.32Å; V79-S81 PolarHBondContact O-N 3.08Å |
| 82 | R | 54.7 | Low | 53.3 | Low | 231 Ų | 231 | 161 Ų | 161 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -18.5 | -168.7 | -171.6 | 172.4 | 170.1 | -161.2 | -4.3 | 114.4 | V79 I80 | V79-R82 PolarHBondContact O-N 3.24Å; I80-R82 PolarHBondContact O-N 3.26Å |
| 83 | T | 55.8 | Low | 53.3 | Low | 123 Ų | 123 | 159.4 Ų | 159.4 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -110.5 | -10 | -169.2 | 52.3 | 0 | 0 | 0 | 0 | 115.3 | ||
| 84 | M | 49.6 | Very low | 53.2 | Low | 160 Ų | 160 | 167.2 Ų | 167.2 | 79% | 0.788 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -92.2 | -5.6 | -166.6 | -147.2 | 174.1 | 79.5 | 0 | 0 | 116.2 | ||
| 85 | N | 58 | Low | 52.5 | Low | 153 Ų | 153 | 163 Ų | 163 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -109.2 | 42.2 | -172 | -76.2 | -5.1 | 0 | 0 | 0 | 114.8 | ||
| 86 | R | 59.9 | Low | 51.4 | Low | 242 Ų | 242 | 162.7 Ų | 162.7 | 91% | 0.913 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -136.6 | 39.4 | 177.8 | -163.7 | 166.3 | 155 | 157.8 | -8.3 | 114.8 | ||
| 87 | K | 57.5 | Low | 51.2 | Low | 200 Ų | 200 | 157.9 Ų | 157.9 | 87% | 0.87 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -153.1 | 48.3 | 170.2 | -153.6 | -178.1 | 174.7 | 179.2 | 0 | 116.5 | ||
| 88 | M | 54.1 | Low | 50.3 | Low | 203 Ų | 203 | 158.3 Ų | 158.3 | 100% | 1 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -168.3 | 81.6 | 159.6 | -105.9 | 139.5 | 168.6 | 0 | 0 | 110.5 | ||
| 89 | G | 52.9 | Low | 49.3 | Very low | 76 Ų | 76 | 163.9 Ų | 163.9 | 78% | 0.784 | 84% | 0.842 | S | S | * | * | trans | -161.5 | 35.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 90 | K | 54.1 | Low | 48.3 | Very low | 205 Ų | 205 | 167.7 Ų | 167.7 | 89% | 0.891 | 86% | 0.855 | S | S | * | * | S | Bend | trans | -145.5 | 44.2 | 179.2 | -72.3 | -164.6 | 173.5 | -172.2 | 0 | 113.8 | ||
| 91 | M | 49.3 | Very low | 47.2 | Very low | 193 Ų | 193 | 164.9 Ų | 164.9 | 95% | 0.951 | 86% | 0.858 | S | S | * | * | S | Bend | trans | -145.4 | 39.9 | 172.6 | -65.9 | -169 | -176.5 | 0 | 0 | 113.6 | ||
| 92 | M | 47.1 | Very low | 46.1 | Very low | 186 Ų | 186 | 168 Ų | 168 | 92% | 0.916 | 87% | 0.868 | S | S | * | * | S | Bend | trans | -158 | 53.2 | 170.7 | -156.9 | 178.7 | 179.3 | 0 | 0 | 114.8 | ||
| 93 | V | 47.8 | Very low | 45.1 | Very low | 148 Ų | 148 | 162.5 Ų | 162.5 | 90% | 0.897 | 86% | 0.861 | S | S | * | * | trans | -146.2 | 68 | 162.7 | -167.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 94 | K | 44.6 | Very low | 45 | Very low | 212 Ų | 212 | 161.9 Ų | 161.9 | 92% | 0.922 | 86% | 0.859 | S | S | * | * | S | Bend | trans | -157.3 | 52 | 165.5 | -162.5 | 170.6 | 162.6 | 60.1 | 0 | 111.9 | ||
| 95 | A | 41.8 | Very low | 44.3 | Very low | 89 Ų | 89 | 162 Ų | 162 | 74% | 0.736 | 86% | 0.857 | S | S | * | * | S | Bend | trans | -150.3 | 141.6 | 162 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||
| 96 | L | 35.9 | Very low | 43.1 | Very low | 180 Ų | 180 | 162.8 Ų | 162.8 | 94% | 0.942 | 86% | 0.856 | S | S | * | * | S | Bend | trans | 72.7 | 70.8 | -173.5 | -46.1 | -179.2 | 0 | 0 | 0 | 115.7 | ||
| 97 | S | 36.5 | Very low | 41.7 | Very low | 123 Ų | 123 | 154.2 Ų | 154.2 | 86% | 0.86 | 84% | 0.843 | S | S | * | * | trans | -163.7 | 69.5 | 143.9 | -170.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 98 | E | 38.6 | Very low | 40.4 | Very low | 194 Ų | 194 | 150.9 Ų | 150.9 | 91% | 0.907 | 85% | 0.845 | S | S | * | * | trans | -107.9 | 165.1 | 154.6 | -82.2 | 176.2 | 84.4 | 0 | 0 | 107.9 | ||||
| 99 | E | 36.3 | Very low | 39.2 | Very low | 194 Ų | 194 | 145.4 Ų | 145.4 | 91% | 0.907 | 83% | 0.832 | S | S | * | * | trans | 86 | 124 | -178.3 | -156.7 | -179.6 | 108.8 | 0 | 0 | 117.3 | ||||
| 100 | M | 33 | Very low | 38.2 | Very low | 188 Ų | 188 | 147.2 Ų | 147.2 | 93% | 0.926 | 83% | 0.833 | S | S | * | * | trans | 93.7 | 110.4 | 164.6 | -155 | 64.8 | -173.6 | 0 | 0 | 119 | ||||
| 101 | G | 30.6 | Very low | 38 | Very low | 73 Ų | 73 | 143.3 Ų | 143.3 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | trans | 155.8 | 105.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 102 | D | 29.9 | Very low | 37 | Very low | 154 Ų | 154 | 140 Ų | 140 | 82% | 0.824 | 82% | 0.819 | S | S | * | * | trans | -80.9 | 169 | -177.8 | -152.2 | -77.4 | 0 | 0 | 0 | 113.5 | ||||
| 103 | T | 34.4 | Very low | 36.4 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 72% | 0.718 | 81% | 0.811 | S | S | * | * | trans | -77.3 | -175.7 | 178.9 | 59.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 104 | P | 53.2 | Low | 36.5 | Very low | 110 Ų | 110 | 134.6 Ų | 134.6 | 71% | 0.714 | 80% | 0.803 | S | S | * | * | cis | -136.1 | -167 | -2.5 | 32.8 | -8.5 | 0 | 0 | 0 | 115.7 | ||||
| 105 | E | 35.6 | Very low | 35.8 | Very low | 162 Ų | 162 | 131 Ų | 131 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | trans | 107 | 127.1 | 149.4 | -71 | -72.2 | 77.9 | 0 | 0 | 123.7 | ||||
| 106 | E | 32.3 | Very low | 35.2 | Very low | 169 Ų | 169 | 133 Ų | 133 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | 69.2 | 110.2 | 146.4 | -74.2 | -82.1 | 72.9 | 0 | 0 | 123.8 | ||||
| 107 | G | 29.4 | Very low | 35.4 | Very low | 63 Ų | 63 | 129.6 Ų | 129.6 | 65% | 0.649 | 79% | 0.793 | S | S | * | * | 119.1 | 101.4 | 114.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 108 | S | 30.4 | Very low | 35.1 | Very low | 129 Ų | 129 | 132 Ų | 132 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | 65.7 | 144.1 | 138.7 | -152.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 109 | A | 29.3 | Very low | 34.6 | Very low | 89 Ų | 89 | 126.1 Ų | 126.1 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | cis | -164.8 | 161 | -18.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 110 | S | 31.6 | Very low | 34.5 | Very low | 113 Ų | 113 | 122.8 Ų | 122.8 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | -82.1 | 167.4 | 166.5 | -39.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 111 | P | 50.4 | Low | 35.3 | Very low | 123 Ų | 123 | 119.8 Ų | 119.8 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | -134.8 | -164.4 | 54.8 | 25.4 | 1.5 | 0 | 0 | 0 | 112.3 | |||||
| 112 | T | 28.6 | Very low | 35.1 | Very low | 124 Ų | 124 | 119.7 Ų | 119.7 | 76% | 0.761 | 78% | 0.777 | S | S | * | * | cis | -155.6 | 158.6 | 23.6 | 113.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 113 | S | 34.8 | Very low | 36.1 | Very low | 105 Ų | 105 | 117.9 Ų | 117.9 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | -106.8 | 165.1 | 159.5 | 54.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 114 | P | 50 | Low | 36 | Very low | 115 Ų | 115 | 119.4 Ų | 119.4 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | -136.1 | 142.1 | 97.6 | 37.1 | -24.6 | 0 | 0 | 0 | 111.9 | |||||
| 115 | D | 29.2 | Very low | 35.3 | Very low | 138 Ų | 138 | 121 Ų | 121 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | 57.8 | 116.8 | 70.7 | -165.3 | 32.4 | 0 | 0 | 0 | 116.4 | |||||
| 116 | C | 28.8 | Very low | 35.2 | Very low | 131 Ų | 131 | 121.8 Ų | 121.8 | 89% | 0.885 | 78% | 0.775 | S | S | * | * | trans | -175.6 | 135.2 | 134.8 | -95.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 117 | S | 40.7 | Very low | 35.1 | Very low | 107 Ų | 107 | 118 Ų | 118 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | -129.1 | 142.3 | -178.5 | 176.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 118 | L | 30.1 | Very low | 35.2 | Very low | 175 Ų | 175 | 123.2 Ų | 123.2 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | trans | -178.9 | 142.1 | 156.7 | -124.7 | 69.8 | 0 | 0 | 0 | 107.9 | ||||
| 119 | G | 28.9 | Very low | 35 | Very low | 69 Ų | 69 | 121 Ų | 121 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | cis | 122.8 | 102.7 | -1.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 120 | S | 34 | Very low | 34.8 | Very low | 124 Ų | 124 | 125.6 Ų | 125.6 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | trans | 168.9 | 146.7 | 136.6 | -157.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 121 | P | 48.5 | Very low | 34.6 | Very low | 126 Ų | 126 | 125 Ų | 125 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -111.3 | 176.8 | -177.9 | 41.2 | -33.4 | 0 | 0 | 0 | 115.7 | ||||
| 122 | G | 27.6 | Very low | 33.5 | Very low | 70 Ų | 70 | 127 Ų | 127 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | trans | -149.4 | 163.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 123 | P | 50 | Low | 33.5 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | trans | -123.3 | -167.2 | -132.6 | 40.6 | -28.6 | 0 | 0 | 0 | 117.3 | ||||
| 124 | E | 32.3 | Very low | 33.4 | Very low | 149 Ų | 149 | 133.8 Ų | 133.8 | 70% | 0.696 | 78% | 0.783 | S | S | * | * | trans | 66.9 | 141.2 | 159.2 | 65.8 | 170 | 139.7 | 0 | 0 | 119 | ||||
| 125 | K | 39.5 | Very low | 32.4 | Very low | 143 Ų | 143 | 137 Ų | 137 | 62% | 0.622 | 79% | 0.788 | S | S | * | * | cis | -174.3 | 156.7 | 12 | 35.4 | -176.7 | 168.8 | -68 | 0 | 110.4 | ||||
| 126 | M | 33.5 | Very low | 32.5 | Very low | 180 Ų | 180 | 140.7 Ų | 140.7 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | trans | 55.5 | 155.1 | 160.9 | 81.6 | -172.2 | -175.6 | 0 | 0 | 117.6 | ||||
| 127 | A | 28.9 | Very low | 32.6 | Very low | 89 Ų | 89 | 143.4 Ų | 143.4 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | cis | -166 | 170.3 | -1.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 128 | L | 31.2 | Very low | 32.1 | Very low | 172 Ų | 172 | 142 Ų | 142 | 90% | 0.901 | 79% | 0.794 | S | S | * | * | cis | -143.1 | -101.3 | 3.9 | -135.4 | 169.5 | 0 | 0 | 0 | 114.7 | ||||
| 129 | A | 28 | Very low | 32.5 | Very low | 83 Ų | 83 | 139.6 Ų | 139.6 | 69% | 0.686 | 79% | 0.788 | S | S | * | * | trans | -154 | 154.7 | -164.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 130 | F | 23.9 | Very low | 32.7 | Very low | 185 Ų | 185 | 141 Ų | 141 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | 64.2 | 109.3 | 138.6 | -155.4 | -88.9 | 0 | 0 | 0 | 121.7 | ||||
| 131 | C | 28.2 | Very low | 32.7 | Very low | 100 Ų | 100 | 143.9 Ų | 143.9 | 68% | 0.676 | 80% | 0.797 | S | S | * | * | -175.1 | 166.4 | 103.6 | -150.1 | 0 | 0 | 0 | 0 | 112 | |||||
| 132 | E | 27.2 | Very low | 32.2 | Very low | 166 Ų | 166 | 143.1 Ų | 143.1 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -65.7 | 153.3 | 179.9 | -60.1 | 148.8 | 105 | 0 | 0 | 113.9 | ||||
| 133 | Q | 28.8 | Very low | 32.9 | Very low | 197 Ų | 197 | 151.4 Ų | 151.4 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | -169.9 | 142.6 | 111.1 | -165.5 | 155.3 | -45 | 0 | 0 | 111.8 | |||||
| 134 | E | 31.5 | Very low | 32.8 | Very low | 175 Ų | 175 | 154.8 Ų | 154.8 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -84.1 | 142.7 | -178.3 | -173.2 | -179.2 | 121.3 | 0 | 0 | 112.2 | ||||
| 135 | E | 30.1 | Very low | 33.3 | Very low | 183 Ų | 183 | 153.9 Ų | 153.9 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | trans | 176.1 | 160.3 | 132.9 | -98.3 | -128.1 | 84.7 | 0 | 0 | 113.5 | ||||
| 136 | R | 31.7 | Very low | 33.3 | Very low | 215 Ų | 215 | 151.9 Ų | 151.9 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | trans | 78.2 | 90.5 | 162 | -165.5 | -175.8 | -174.1 | 157.3 | 3.9 | 118.8 | ||||
| 137 | E | 29.5 | Very low | 33.8 | Very low | 188 Ų | 188 | 150.2 Ų | 150.2 | 88% | 0.879 | 82% | 0.819 | S | S | * | * | trans | -149.5 | 100.5 | 130.8 | -64.5 | -55.2 | 170.6 | 0 | 0 | 108.8 | ||||
| 138 | G | 30.7 | Very low | 34.1 | Very low | 78 Ų | 78 | 149.5 Ų | 149.5 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -98.3 | 129 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 139 | P | 38.1 | Very low | 34.7 | Very low | 123 Ų | 123 | 146.2 Ų | 146.2 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | trans | -100.8 | 151.2 | -177 | 36.6 | -33.9 | 0 | 0 | 0 | 115.7 | ||||
| 140 | A | 32.9 | Very low | 35.4 | Very low | 98 Ų | 98 | 149.6 Ų | 149.6 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | trans | 48.1 | 110.3 | 149 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 141 | L | 34.6 | Very low | 36.5 | Very low | 185 Ų | 185 | 148.5 Ų | 148.5 | 97% | 0.969 | 82% | 0.816 | S | S | * | * | trans | -77.8 | 132.2 | 167.6 | -76.4 | 166.2 | 0 | 0 | 0 | 112.9 | ||||
| 142 | S | 37.2 | Very low | 36.9 | Very low | 110 Ų | 110 | 150 Ų | 150 | 77% | 0.769 | 83% | 0.826 | S | S | * | * | trans | -71.1 | 148.3 | -180 | -65.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 143 | R | 43.5 | Very low | 37.5 | Very low | 244 Ų | 244 | 147.7 Ų | 147.7 | 92% | 0.921 | 83% | 0.828 | S | S | * | * | trans | -86.7 | 114.7 | 162.9 | -72.7 | 168.9 | 138.1 | -110.5 | 0.5 | 110.4 | ||||
| 144 | Q | 47.6 | Very low | 38.8 | Very low | 187 Ų | 187 | 144.6 Ų | 144.6 | 87% | 0.874 | 83% | 0.825 | S | S | * | * | trans | -141.1 | 160.5 | 159.4 | -72.3 | -164.2 | -99.3 | 0 | 0 | 112.3 | ||||
| 145 | T | 42.2 | Very low | 39 | Very low | 131 Ų | 131 | 139.7 Ų | 139.7 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -108.1 | -159.2 | -162.8 | 50.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 146 | S | 40.5 | Very low | 40.2 | Very low | 100 Ų | 100 | 137.6 Ų | 137.6 | 70% | 0.699 | 82% | 0.824 | S | S | * | * | trans | 74 | 115.1 | 174.5 | 25.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 147 | T | 42.8 | Very low | 40.5 | Very low | 145 Ų | 145 | 131 Ų | 131 | 89% | 0.89 | 82% | 0.822 | S | S | * | * | 72.5 | 117.8 | 62.6 | 63.8 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 148 | G | 36 | Very low | 41.2 | Very low | 75 Ų | 75 | 128.6 Ų | 128.6 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | trans | 149.4 | 83.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 149 | S | 43.9 | Very low | 41.5 | Very low | 103 Ų | 103 | 128 Ų | 128 | 72% | 0.72 | 82% | 0.82 | S | S | * | * | 39.4 | 134.7 | 119 | -90.3 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 150 | E | 42.7 | Very low | 41.5 | Very low | 153 Ų | 153 | 127 Ų | 127 | 72% | 0.715 | 82% | 0.816 | S | S | * | * | trans | 76.1 | 126.2 | 153.1 | -39 | -37.8 | 103.4 | 0 | 0 | 123.5 | ||||
| 151 | L | 46.1 | Very low | 41.7 | Very low | 162 Ų | 162 | 130.6 Ų | 130.6 | 85% | 0.848 | 81% | 0.814 | S | S | * | * | trans | 69.6 | 101.7 | 142.9 | -62.5 | 165.5 | 0 | 0 | 0 | 122.5 | ||||
| 152 | C | 37 | Very low | 42.3 | Very low | 132 Ų | 132 | 129.5 Ų | 129.5 | 89% | 0.892 | 81% | 0.806 | S | S | * | * | -167 | 133.8 | 112.3 | -99.2 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 153 | S | 40.3 | Very low | 42.5 | Very low | 117 Ų | 117 | 131.1 Ų | 131.1 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -120.7 | 162.1 | 155 | -74.6 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 154 | P | 55.3 | Low | 42.5 | Very low | 132 Ų | 132 | 126.4 Ų | 126.4 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | cis | -140.8 | 176.2 | 26.7 | 41.3 | -22.6 | 0 | 0 | 0 | 116.4 | ||||
| 155 | G | 37.3 | Very low | 42.2 | Very low | 72 Ų | 72 | 122.7 Ų | 122.7 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | trans | 165.1 | 108.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 156 | P | 55.1 | Low | 42.6 | Very low | 139 Ų | 139 | 121.1 Ų | 121.1 | 90% | 0.903 | 77% | 0.772 | S | S | * | * | trans | -88.5 | 133.3 | -179.3 | 33.8 | -31.7 | 0 | 0 | 0 | 111.8 | ||||
| 157 | G | 36.8 | Very low | 43.3 | Very low | 76 Ų | 76 | 119.2 Ų | 119.2 | 78% | 0.784 | 76% | 0.762 | S | S | * | * | trans | -163.7 | 88.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | G159 | G157-G159 PolarHBondContact O-N 2.76Š| ||
| 158 | S | 45.2 | Very low | 43.9 | Very low | 138 Ų | 138 | 118.2 Ų | 118.2 | 97% | 0.965 | 76% | 0.758 | S | S | * | * | trans | -63.9 | 130 | 171.6 | -173.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 159 | G | 36 | Very low | 45.5 | Very low | 65 Ų | 65 | 121.4 Ų | 121.4 | 67% | 0.67 | 75% | 0.753 | S | S | * | * | trans | 168.2 | 61 | -172.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | G157 F161 | G157-G159 PolarHBondContact O-N 2.76Å; G159-F161 PolarHBondContact O-N 2.9Å | ||
| 160 | S | 39.5 | Very low | 46.9 | Very low | 103 Ų | 103 | 120 Ų | 120 | 72% | 0.72 | 73% | 0.733 | S | S | * | * | trans | -62.6 | 89.6 | 165.3 | 53.2 | 0 | 0 | 0 | 0 | 108.5 | M162 | S160-M162 PolarHBondContact O-N 2.89Š| ||
| 161 | F | 37.3 | Very low | 48.5 | Very low | 173 Ų | 173 | 119.4 Ų | 119.4 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | trans | -67.1 | 78.1 | 157.9 | -172 | -100.2 | 0 | 0 | 0 | 106.5 | G159 E163 | G159-F161 PolarHBondContact O-N 2.9Å; F161-E163 HydrophobicContact CD1-CB 4.14Å; F161-E163 HydrophobicContact CE1-CB 3.87Å; F161-E163 HydrophobicContact CE1-CG 4.11Å; F161-E163 PolarHBondContact O-N 2.87Å | ||
| 162 | M | 45.2 | Very low | 50 | Low | 163 Ų | 163 | 112.8 Ų | 112.8 | 80% | 0.803 | 71% | 0.711 | S | S | * | * | trans | -58.5 | 95.6 | 153.8 | 57.5 | -152.8 | 175.5 | 0 | 0 | 105.1 | S160 E164 | S160-M162 PolarHBondContact O-N 2.89Å; M162-E164 VanDerWaalsContact C-N 3.32Å; M162-E164 PolarHBondContact O-N 3.27Å | ||
| 163 | E | 42.4 | Very low | 52.3 | Low | 143 Ų | 143 | 110.6 Ų | 110.6 | 67% | 0.668 | 69% | 0.694 | S | S | * | * | trans | -53 | 102.9 | 168.2 | -174.3 | 166.9 | 107.6 | 0 | 0 | 106.1 | F161 T165 | F161-E163 HydrophobicContact CD1-CB 4.14Å; F161-E163 HydrophobicContact CE1-CB 3.87Å; F161-E163 HydrophobicContact CE1-CG 4.11Å; F161-E163 PolarHBondContact O-N 2.87Å; E163-T165 PolarHBondContact O-N 3.16Å | ||
| 164 | E | 43.4 | Very low | 54.6 | Low | 146 Ų | 146 | 107.7 Ų | 107.7 | 68% | 0.682 | 67% | 0.667 | S | S | * | * | trans | -66 | 88.9 | 168.8 | -172.1 | -165.5 | 131.1 | 0 | 0 | 104.9 | M162 P166 | M162-E164 VanDerWaalsContact C-N 3.32Å; M162-E164 PolarHBondContact O-N 3.27Å; E164-P166 VanDerWaalsContact O-CD 3.31Å; E164-P166 WeakPolarHBondContact O-CD 3.46Å | ||
| 165 | T | 40.8 | Very low | 56.2 | Low | 108 Ų | 108 | 104 Ų | 104 | 66% | 0.663 | 64% | 0.644 | S | S | * | * | trans | -48.3 | 114.5 | 166.8 | -46.5 | 0 | 0 | 0 | 0 | 105.1 | E163 A167 | E163-T165 PolarHBondContact O-N 3.16Å; T165-A167 PolarHBondContact O-N 3.19Å | ||
| 166 | P | 51.2 | Low | 58.8 | Low | 98 Ų | 98 | 100.9 Ų | 100.9 | 64% | 0.636 | 61% | 0.612 | S | S | * | * | trans | -59.1 | 110.4 | -173.2 | 21.1 | -31.7 | 0 | 0 | 0 | 106.7 | E164 | E164-P166 VanDerWaalsContact O-CD 3.31Å; E164-P166 WeakPolarHBondContact O-CD 3.46Å | ||
| 167 | A | 54.6 | Low | 60.7 | Low | 61 Ų | 61 | 98.7 Ų | 98.7 | 50% | 0.504 | 59% | 0.586 | S | S | . | * | trans | -52.1 | 136.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | T165 Q169 | T165-A167 PolarHBondContact O-N 3.19Å; A167-Q169 PolarHBondContact O-N 2.82Å | ||
| 168 | P | 56.4 | Low | 63.4 | Low | 124 Ų | 124 | 95 Ų | 95 | 81% | 0.805 | 55% | 0.548 | S | S | * | . | trans | -53.9 | 106.3 | -171.2 | 20.1 | -32.4 | 0 | 0 | 0 | 109 | Y170 | P168-Y170 PolarHBondContact O-N 3.25Š| ||
| 169 | Q | 68.2 | Low | 65.9 | Low | 142 Ų | 142 | 94.1 Ų | 94.1 | 66% | 0.664 | 52% | 0.524 | S | S | * | . | trans | -58 | 126.4 | -175.6 | -67.5 | -178.3 | -2.5 | 0 | 0 | 106.6 | A167 T171 | A167-Q169 PolarHBondContact O-N 2.82Å; Q169-T171 VanDerWaalsContact C-N 3.31Å; Q169-T171 PolarHBondContact O-N 2.82Å; Q169-T171 PolarHBondContact O-OG1 3.43Å | ||
| 170 | Y | 74.8 | Confident | 68.8 | Low | 73 Ų | 73 | 91.1 Ų | 91.1 | 29% | 0.286 | 49% | 0.492 | S | S | . | . | trans | -69.4 | 91.5 | -173.2 | -178.9 | -94.2 | 0 | 0 | 0 | 109.8 | P168 G172 F174 I205 L221 | P168-Y170 PolarHBondContact O-N 3.25Å; Y170-G172 VanDerWaalsContact CE1-C 3.43Å; Y170-G172 PolarHBondContact O-N 2.89Å; Y170-F174 HydrophobicContact CD1-CD1 4.48Å; Y170-F174 AromaticContact CD1-CE1 3.77Å; Y170-F174 HydrophobicContact CD1-CE1 3.77Å; Y170-F174 AromaticContact CD1-CZ 3.82Å; Y170-F174 HydrophobicContact CD1-CZ 3.82Å; Y170-F174 HydrophobicContact CE1-CE1 4.27Å; Y170-F174 HydrophobicContact CE1-CZ 4.5Å; Y170-F174 VanDerWaalsContact O-CZ 3.27Å; Y170-F174 WeakPolarHBondContact O-CZ 3.39Å; Y170-I205 HydrophobicContact CD1-CD1 3.44Å; Y170-I205 VanDerWaalsContact CD1-CD1 3.44Å; Y170-I205 HydrophobicContact CD1-CG1 3.68Å; Y170-I205 HydrophobicContact CD1-CG2 4.43Å; Y170-I205 HydrophobicContact CD2-CD1 4.26Å; Y170-I205 HydrophobicContact CE1-CB 4.2Å; Y170-I205 HydrophobicContact CE1-CD1 3.78Å; Y170-I205 HydrophobicContact CE1-CG1 3.6Å; Y170-I205 HydrophobicContact CE1-CG2 3.64Å; Y170-I205 HydrophobicContact CE2-CG2 4.18Å; Y170-I205 HydrophobicContact CG-CD1 3.71Å; Y170-I205 HydrophobicContact CG-CG1 4.43Å; Y170-I205 VanDerWaalsContact CZ-CG2 3.48Å; Y170-I205 WeakPolarHBondContact OH-CG2 3.3Å; Y170-L221 HydrophobicContact CD2-CD1 3.91Å; Y170-L221 HydrophobicContact CG-CD1 4.09Å | ||
| 171 | T | 75.5 | Confident | 71.5 | Confident | 141 Ų | 141 | 89.2 Ų | 89.2 | 87% | 0.865 | 47% | 0.472 | S | S | * | . | trans | -85.5 | 33.7 | 172 | -39.5 | 0 | 0 | 0 | 0 | 110.8 | Q169 | Q169-T171 VanDerWaalsContact C-N 3.31Å; Q169-T171 PolarHBondContact O-N 2.82Å; Q169-T171 PolarHBondContact O-OG1 3.43Å | ||
| 172 | G | 77.3 | Confident | 74.4 | Confident | 23 Ų | 23 | 83.8 Ų | 83.8 | 24% | 0.237 | 45% | 0.453 | C | S | . | . | S | Bend | trans | -91.2 | 176.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y170 F174 | Y170-G172 VanDerWaalsContact CE1-C 3.43Å; Y170-G172 PolarHBondContact O-N 2.89Å; G172-F174 PolarHBondContact O-N 2.87Å |
| 173 | P | 85.1 | Confident | 76.8 | Confident | 85 Ų | 85 | 80.9 Ų | 80.9 | 55% | 0.552 | 44% | 0.441 | S | S | * | . | trans | -68.9 | 128.7 | 178.7 | 29.1 | -34.3 | 0 | 0 | 0 | 111.1 | ||||
| 174 | F | 89.2 | Confident | 79.3 | Confident | 56 Ų | 56 | 76.7 Ų | 76.7 | 25% | 0.246 | 42% | 0.42 | C | S | . | . | trans | -89.1 | 150.7 | 167.9 | -59.8 | -80 | 0 | 0 | 0 | 110.4 | Y170 G172 Q203 I204 I205 L216 | Y170-F174 HydrophobicContact CD1-CD1 4.48Å; Y170-F174 AromaticContact CD1-CE1 3.77Å; Y170-F174 HydrophobicContact CD1-CE1 3.77Å; Y170-F174 AromaticContact CD1-CZ 3.82Å; Y170-F174 HydrophobicContact CD1-CZ 3.82Å; Y170-F174 HydrophobicContact CE1-CE1 4.27Å; Y170-F174 HydrophobicContact CE1-CZ 4.5Å; Y170-F174 VanDerWaalsContact O-CZ 3.27Å; Y170-F174 WeakPolarHBondContact O-CZ 3.39Å; G172-F174 PolarHBondContact O-N 2.87Å; F174-Q203 HydrophobicContact CB-CG 3.93Å; F174-Q203 HydrophobicContact CD1-CB 3.7Å; F174-Q203 HydrophobicContact CD1-CG 3.44Å; F174-Q203 VanDerWaalsContact CD1-CG 3.44Å; F174-Q203 VanDerWaalsContact CD2-CD 3.47Å; F174-Q203 HydrophobicContact CD2-CG 4.05Å; F174-Q203 HydrophobicContact CE1-CB 3.78Å; F174-Q203 HydrophobicContact CE1-CG 3.87Å; F174-Q203 HydrophobicContact CE2-CG 4.42Å; F174-Q203 HydrophobicContact CG-CB 4.3Å; F174-Q203 HydrophobicContact CG-CG 3.52Å; F174-Q203 HydrophobicContact CZ-CB 4.45Å; F174-Q203 HydrophobicContact CZ-CG 4.33Å; F174-I204 CarbonylContact C-O 3.54Å; F174-I204 WeakPolarHBondContact CA-O 3.46Å; F174-I204 WeakPolarHBondContact CB-O 3.43Å; F174-I205 HydrophobicContact CD1-CG1 3.76Å; F174-I205 HydrophobicContact CE1-CD1 4.26Å; F174-I205 HydrophobicContact CE1-CG1 3.72Å; F174-L216 HydrophobicContact CE1-CB 4Å; F174-L216 HydrophobicContact CE1-CD2 4.25Å; F174-L216 HydrophobicContact CZ-CD2 3.97Å | ||
| 175 | C | 88.9 | Confident | 81.8 | Confident | 54 Ų | 54 | 74.5 Ų | 74.5 | 37% | 0.365 | 42% | 0.417 | S | S | . | . | trans | -112.6 | 7.7 | -179.1 | 67.2 | 0 | 0 | 0 | 0 | 113.8 | I204 I205 | C175-I204 PolarHBondContact N-O 2.95Å; C175-I204 PolarHBondContact SG-O 3.29Å; C175-I205 VanDerWaalsContact SG-C 3.59Å; C175-I205 PolarHBondContact SG-O 2.83Å | ||
| 176 | G | 91.6 | Very high | 84.2 | Confident | 7 Ų | 7 | 70.5 Ų | 70.5 | 7% | 0.072 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.1 | -176.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I204 E234 | G176-I204 PolarHBondContact O-N 2.93Å; G176-E234 WeakPolarHBondContact CA-OE2 3.05Å |
| 177 | R | 94.6 | Very high | 86.2 | Confident | 93 Ų | 93 | 69 Ų | 69 | 35% | 0.351 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 150.1 | 163.4 | -64.5 | -178.7 | -61.8 | -170.5 | 1.6 | 109.6 | V201 I202 Q203 L232 | R177-V201 HydrophobicContact CB-CG1 4.14Å; R177-I202 CarbonylContact C-O 3.47Å; R177-I202 WeakPolarHBondContact CA-O 3.24Å; R177-Q203 HydrophobicContact CG-CG 4.27Å; R177-L232 HydrophobicContact CB-CB 4.37Å; R177-L232 HydrophobicContact CB-CD1 4.46Å; R177-L232 PolarHBondContact O-N 2.92Å |
| 178 | A | 95.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 146.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | V201 I202 I204 V229 D230 | A178-V201 CarbonylContact O-C 3.53Å; A178-V201 WeakPolarHBondContact O-CA 3.34Å; A178-I202 PolarHBondContact N-O 3.11Å; A178-I202 PolarHBondContact O-N 3.41Å; A178-I204 HydrophobicContact CB-CD1 3.93Å; A178-I204 HydrophobicContact CB-CG1 4.16Å; A178-V229 HydrophobicContact CB-CB 3.82Å; A178-V229 HydrophobicContact CB-CG2 3.47Å; A178-V229 VanDerWaalsContact CB-CG2 3.47Å; A178-D230 CarbonylContact C-O 3.47Å; A178-D230 WeakPolarHBondContact CA-O 3.4Å; A178-D230 WeakPolarHBondContact CB-O 3.48Å |
| 179 | R | 96.6 | Very high | 89.7 | Confident | 119 Ų | 119 | 75.3 Ų | 75.3 | 45% | 0.449 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 127.9 | 175 | -176 | 171.3 | 59.1 | -153.6 | -4.1 | 109.6 | H181 D200 V229 D230 L232 | R179-H181 PolarHBondContact O-N 2.75Å; R179-D200 CarbonylContact C-O 3.57Å; R179-D200 VanDerWaalsContact CA-O 3.32Å; R179-D200 WeakPolarHBondContact CA-O 3.32Å; R179-V229 CarbonylContact O-C 3.53Å; R179-V229 VanDerWaalsContact O-CA 3.28Å; R179-V229 WeakPolarHBondContact O-CA 3.25Å; R179-D230 PolarHBondContact N-O 3.32Å; R179-D230 PolarHBondContact O-N 2.95Å; R179-L232 HydrophobicContact CB-CD1 4.07Å; R179-L232 HydrophobicContact CB-CD2 3.99Å; R179-L232 HydrophobicContact CB-CG 4.02Å |
| 180 | V | 97.3 | Very high | 90.7 | Very high | 2 Ų | 2 | 71.4 Ų | 71.4 | 1% | 0.012 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 127.4 | 176.6 | 179.3 | 0 | 0 | 0 | 0 | 109.9 | T182 L196 Q197 G199 D200 I202 V229 | V180-T182 WeakPolarHBondContact CG1-O 3.42Å; V180-L196 HydrophobicContact CG1-CB 3.77Å; V180-L196 HydrophobicContact CG1-CD1 4.5Å; V180-L196 HydrophobicContact CG2-CB 3.97Å; V180-L196 HydrophobicContact CG2-CD1 4.4Å; V180-L196 HydrophobicContact CG2-CD2 4.24Å; V180-L196 HydrophobicContact CG2-CG 4.45Å; V180-Q197 VanDerWaalsContact CB-O 3.27Å; V180-Q197 WeakPolarHBondContact CB-O 3.45Å; V180-Q197 WeakPolarHBondContact CG1-O 3.34Å; V180-G199 PolarHBondContact O-N 3.18Å; V180-D200 HydrophobicContact CB-CB 4.21Å; V180-D200 HydrophobicContact CG2-CB 3.81Å; V180-D200 PolarHBondContact N-O 3.29Å; V180-I202 HydrophobicContact CG2-CD1 3.92Å; V180-I202 HydrophobicContact CG2-CG1 3.99Å; V180-V229 HydrophobicContact CG2-CG1 4.01Å |
| 181 | H | 96.7 | Very high | 91.4 | Very high | 63 Ų | 63 | 75.7 Ų | 75.7 | 29% | 0.292 | 40% | 0.401 | S | S | . | . | trans | -105.8 | -19.4 | 172.9 | 64.7 | 63.3 | 0 | 0 | 0 | 113.1 | R179 K198 I227 Y228 V229 D230 | R179-H181 PolarHBondContact O-N 2.75Å; H181-K198 WeakPolarHBondContact O-CD 3.31Å; H181-K198 WeakPolarHBondContact O-CG 3.38Å; H181-I227 PolarHBondContact CE1-O 3.17Å; H181-Y228 VanDerWaalsContact CE1-C 3.49Å; H181-Y228 PolarHBondContact N-O 2.78Å; H181-Y228 VanDerWaalsContact NE2-C 3.32Å; H181-V229 VanDerWaalsContact CD2-C 3.45Å; H181-V229 PolarHBondContact NE2-N 2.69Å; H181-D230 IonicContact CD2-OD1 3.93Å; H181-D230 IonicContact CD2-OD2 2.71Å | ||
| 182 | T | 97.2 | Very high | 92.2 | Very high | 59 Ų | 59 | 75 Ų | 75 | 36% | 0.362 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -128.7 | 128.4 | -179 | -62.8 | 0 | 0 | 0 | 0 | 110.9 | V180 Y228 | V180-T182 WeakPolarHBondContact CG1-O 3.42Å; T182-Y228 HydrophobicContact CG2-CD1 3.87Å; T182-Y228 HydrophobicContact CG2-CE1 4.35Å; T182-Y228 PolarHBondContact N-O 3.43Å |
| 183 | D | 96.1 | Very high | 93 | Very high | 102 Ų | 102 | 75.1 Ų | 75.1 | 55% | 0.545 | 39% | 0.389 | S | S | . | . | trans | -63.2 | 138.1 | 175.5 | -58.1 | -56.9 | 0 | 0 | 0 | 111.7 | L196 Q197 K198 | D183-L196 WeakPolarHBondContact CA-O 3.2Å; D183-Q197 VanDerWaalsContact OD1-CA 3.31Å; D183-Q197 WeakPolarHBondContact OD1-CA 3.32Å; D183-K198 PolarHBondContact OD1-N 3.2Å | ||
| 184 | F | 95.2 | Very high | 93.4 | Very high | 54 Ų | 54 | 71.4 Ų | 71.4 | 24% | 0.237 | 37% | 0.365 | C | S | . | . | B | Isolated β-bridge | trans | -141.6 | 123.9 | 174.1 | 176.6 | -105.8 | 0 | 0 | 0 | 110.4 | P186 K195 L196 Y228 | F184-P186 HydrophobicContact CE1-CB 3.95Å; F184-P186 HydrophobicContact CZ-CB 4.33Å; F184-K195 CarbonylContact O-C 3.5Å; F184-K195 WeakPolarHBondContact O-CA 3.28Å; F184-L196 HydrophobicContact CB-CB 4.09Å; F184-L196 HydrophobicContact CB-CD1 4.08Å; F184-L196 HydrophobicContact CB-CG 4.08Å; F184-L196 HydrophobicContact CD1-CG 4.46Å; F184-L196 PolarHBondContact N-O 3.25Å; F184-L196 PolarHBondContact O-N 2.95Å; F184-Y228 HydrophobicContact CB-CD2 3.98Å; F184-Y228 HydrophobicContact CB-CE2 4.04Å; F184-Y228 HydrophobicContact CD1-CE2 4.47Å; F184-Y228 HydrophobicContact CD2-CD2 4.47Å; F184-Y228 AromaticContact CD2-CE2 3.68Å; F184-Y228 HydrophobicContact CD2-CE2 3.68Å; F184-Y228 HydrophobicContact CE2-CE2 4.28Å; F184-Y228 HydrophobicContact CG-CD2 4.16Å; F184-Y228 AromaticContact CG-CE2 3.8Å; F184-Y228 HydrophobicContact CG-CE2 3.8Å |
| 185 | T | 94.5 | Very high | 93.7 | Very high | 100 Ų | 100 | 74.2 Ų | 74.2 | 61% | 0.613 | 38% | 0.377 | S | S | * | . | trans | -112.2 | 117.1 | 171.7 | -62.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 186 | P | 92.9 | Very high | 94.1 | Very high | 24 Ų | 24 | 71.7 Ų | 71.7 | 16% | 0.156 | 36% | 0.36 | C | S | . | . | trans | -69 | 168.9 | 178 | 29.4 | -35.8 | 0 | 0 | 0 | 112 | F184 D190 | F184-P186 HydrophobicContact CE1-CB 3.95Å; F184-P186 HydrophobicContact CZ-CB 4.33Å; P186-D190 HydrophobicContact CB-CB 4.33Å | ||
| 187 | S | 92.1 | Very high | 94.3 | Very high | 66 Ų | 66 | 76.3 Ų | 76.3 | 46% | 0.462 | 38% | 0.38 | S | S | . | . | trans | -63.7 | 145.5 | 173 | -176 | 0 | 0 | 0 | 0 | 110.5 | Y189 D190 | S187-Y189 PolarHBondContact O-N 3.14Å; S187-D190 PolarHBondContact O-N 2.63Å | ||
| 188 | P | 91.5 | Very high | 94.4 | Very high | 113 Ų | 113 | 79.1 Ų | 79.1 | 73% | 0.734 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -15.7 | 175.7 | -27 | 35.9 | 0 | 0 | 0 | 115.6 | ||
| 189 | Y | 92.5 | Very high | 94.4 | Very high | 205 Ų | 205 | 81.3 Ų | 81.3 | 80% | 0.804 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -7.3 | 176.3 | -55.3 | -77.3 | 0 | 0 | 0 | 113.7 | S187 H191 | S187-Y189 PolarHBondContact O-N 3.14Å; Y189-H191 PolarHBondContact O-N 3.09Å |
| 190 | D | 90.6 | Very high | 94.3 | Very high | 60 Ų | 60 | 77.2 Ų | 77.2 | 32% | 0.321 | 40% | 0.404 | S | S | . | . | trans | -100.5 | 80.6 | -177.5 | -177.8 | 6.9 | 0 | 0 | 0 | 109.2 | P186 S187 D192 S193 | P186-D190 HydrophobicContact CB-CB 4.33Å; S187-D190 PolarHBondContact O-N 2.63Å; D190-D192 PolarHBondContact O-N 2.77Å; D190-S193 VanDerWaalsContact CG-OG 3.24Å; D190-S193 PolarHBondContact OD1-N 3.14Å; D190-S193 PolarHBondContact OD1-OG 3.3Å; D190-S193 WeakPolarHBondContact OD2-CB 3.5Å; D190-S193 PolarHBondContact OD2-OG 2.67Å | ||
| 191 | H | 88.9 | Confident | 94.3 | Very high | 163 Ų | 163 | 80.6 Ų | 80.6 | 76% | 0.755 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -16.3 | -179.7 | -59.2 | -70.2 | 0 | 0 | 0 | 113.2 | Y189 | Y189-H191 PolarHBondContact O-N 3.09Š|
| 192 | D | 91.6 | Very high | 94.2 | Very high | 128 Ų | 128 | 77.6 Ų | 77.6 | 68% | 0.684 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -17.5 | -177.8 | -64.7 | -32.2 | 0 | 0 | 0 | 112.4 | D190 G222 S223 | D190-D192 PolarHBondContact O-N 2.77Å; D192-G222 CarbonylContact O-C 3.59Å; D192-G222 WeakPolarHBondContact O-CA 3.14Å; D192-S223 PolarHBondContact O-N 2.99Å |
| 193 | S | 94.8 | Very high | 94.1 | Very high | 24 Ų | 24 | 78.4 Ų | 78.4 | 17% | 0.168 | 41% | 0.41 | C | S | . | . | B | Isolated β-bridge | trans | -89.9 | 139.4 | 179.9 | -73.7 | 0 | 0 | 0 | 0 | 113.6 | D190 S223 | D190-S193 VanDerWaalsContact CG-OG 3.24Å; D190-S193 PolarHBondContact OD1-N 3.14Å; D190-S193 PolarHBondContact OD1-OG 3.3Å; D190-S193 WeakPolarHBondContact OD2-CB 3.5Å; D190-S193 PolarHBondContact OD2-OG 2.67Å; S193-S223 CarbonylContact C-O 3.56Å; S193-S223 WeakPolarHBondContact CA-O 3.36Å |
| 194 | L | 94.4 | Very high | 94 | Very high | 7 Ų | 7 | 73.6 Ų | 73.6 | 4% | 0.037 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 132.2 | 172.8 | -62.3 | 178.3 | 0 | 0 | 0 | 111.1 | L196 I202 L217 K220 S223 F224 | L194-L196 HydrophobicContact CB-CD2 3.66Å; L194-L196 PolarHBondContact O-N 3.26Å; L194-I202 HydrophobicContact CD1-CD1 4.42Å; L194-I202 HydrophobicContact CD1-CG2 3.95Å; L194-L217 HydrophobicContact CD1-CB 3.94Å; L194-L217 HydrophobicContact CD2-CB 4.3Å; L194-K220 HydrophobicContact CD2-CB 4.28Å; L194-K220 WeakPolarHBondContact CD2-O 3.48Å; L194-S223 PolarHBondContact N-O 3.21Å; L194-F224 HydrophobicContact CB-CB 4.5Å; L194-F224 HydrophobicContact CD1-CD1 3.88Å |
| 195 | K | 95.1 | Very high | 93.9 | Very high | 116 Ų | 116 | 72 Ų | 72 | 50% | 0.504 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -74 | 121.4 | 160.5 | -176.1 | -176.5 | 179.6 | -170.7 | 0 | 108.4 | F184 L217 | F184-K195 CarbonylContact O-C 3.5Å; F184-K195 WeakPolarHBondContact O-CA 3.28Å; K195-L217 VanDerWaalsContact O-CD2 3.28Å; K195-L217 WeakPolarHBondContact O-CD2 3.4Å |
| 196 | L | 95.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 72.6 Ų | 72.6 | 1% | 0.005 | 37% | 0.374 | C | S | . | . | B | Isolated β-bridge | trans | -107.8 | 135.3 | -177.8 | -47.9 | -175.7 | 0 | 0 | 0 | 110.3 | V180 D183 F184 L194 I202 L217 F224 Y228 V229 | V180-L196 HydrophobicContact CG1-CB 3.77Å; V180-L196 HydrophobicContact CG1-CD1 4.5Å; V180-L196 HydrophobicContact CG2-CB 3.97Å; V180-L196 HydrophobicContact CG2-CD1 4.4Å; V180-L196 HydrophobicContact CG2-CD2 4.24Å; V180-L196 HydrophobicContact CG2-CG 4.45Å; D183-L196 WeakPolarHBondContact CA-O 3.2Å; F184-L196 HydrophobicContact CB-CB 4.09Å; F184-L196 HydrophobicContact CB-CD1 4.08Å; F184-L196 HydrophobicContact CB-CG 4.08Å; F184-L196 HydrophobicContact CD1-CG 4.46Å; F184-L196 PolarHBondContact N-O 3.25Å; F184-L196 PolarHBondContact O-N 2.95Å; L194-L196 HydrophobicContact CB-CD2 3.66Å; L194-L196 PolarHBondContact O-N 3.26Å; L196-I202 HydrophobicContact CD2-CD1 3.55Å; L196-I202 HydrophobicContact CD2-CG1 4.45Å; L196-L217 HydrophobicContact CD2-CD2 3.96Å; L196-F224 HydrophobicContact CD1-CB 4.12Å; L196-F224 HydrophobicContact CD2-CB 4.14Å; L196-Y228 HydrophobicContact CD1-CD2 3.98Å; L196-Y228 HydrophobicContact CD1-CG 4.38Å; L196-V229 HydrophobicContact CD1-CG1 4.45Å |
| 197 | Q | 96.3 | Very high | 93.9 | Very high | 103 Ų | 103 | 77.4 Ų | 77.4 | 48% | 0.481 | 39% | 0.393 | S | S | . | . | trans | -119.5 | 140.8 | 167.5 | -49.8 | -162.3 | -107.9 | 0 | 0 | 110.5 | V180 D183 G199 D200 | V180-Q197 VanDerWaalsContact CB-O 3.27Å; V180-Q197 WeakPolarHBondContact CB-O 3.45Å; V180-Q197 WeakPolarHBondContact CG1-O 3.34Å; D183-Q197 VanDerWaalsContact OD1-CA 3.31Å; D183-Q197 WeakPolarHBondContact OD1-CA 3.32Å; Q197-G199 PolarHBondContact O-N 3.3Å; Q197-D200 WeakPolarHBondContact CA-OD2 3.17Å; Q197-D200 WeakPolarHBondContact CB-OD2 3.27Å; Q197-D200 PolarHBondContact N-OD2 3.5Å; Q197-D200 WeakPolarHBondContact O-CB 3.46Å; Q197-D200 PolarHBondContact O-N 3.25Å | ||
| 198 | K | 96.8 | Very high | 93.9 | Very high | 152 Ų | 152 | 75.9 Ų | 75.9 | 66% | 0.661 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 120.9 | -179.5 | -179.3 | 176.5 | -177.6 | 177.4 | 0 | 110.9 | H181 D183 | H181-K198 WeakPolarHBondContact O-CD 3.31Å; H181-K198 WeakPolarHBondContact O-CG 3.38Å; D183-K198 PolarHBondContact OD1-N 3.2Å |
| 199 | G | 94.9 | Very high | 93.6 | Very high | 46 Ų | 46 | 76.6 Ų | 76.6 | 47% | 0.474 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 105.2 | -18.7 | -174 | 0 | 0 | 0 | 0 | 0 | 114.3 | V180 Q197 | V180-G199 PolarHBondContact O-N 3.18Å; Q197-G199 PolarHBondContact O-N 3.3Å |
| 200 | D | 95.9 | Very high | 93.3 | Very high | 34 Ų | 34 | 72.2 Ų | 72.2 | 18% | 0.182 | 38% | 0.38 | C | S | . | . | trans | -58.2 | 146 | 175.1 | -75 | -16.9 | 0 | 0 | 0 | 111.4 | R179 V180 Q197 L217 | R179-D200 CarbonylContact C-O 3.57Å; R179-D200 VanDerWaalsContact CA-O 3.32Å; R179-D200 WeakPolarHBondContact CA-O 3.32Å; V180-D200 HydrophobicContact CB-CB 4.21Å; V180-D200 HydrophobicContact CG2-CB 3.81Å; V180-D200 PolarHBondContact N-O 3.29Å; Q197-D200 WeakPolarHBondContact CA-OD2 3.17Å; Q197-D200 WeakPolarHBondContact CB-OD2 3.27Å; Q197-D200 PolarHBondContact N-OD2 3.5Å; Q197-D200 WeakPolarHBondContact O-CB 3.46Å; Q197-D200 PolarHBondContact O-N 3.25Å; D200-L217 HydrophobicContact CB-CD1 3.83Å; D200-L217 HydrophobicContact CB-CD2 4.23Å | ||
| 201 | V | 95.6 | Very high | 93.3 | Very high | 73 Ų | 73 | 71.7 Ų | 71.7 | 44% | 0.442 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 114.4 | 174.3 | -178.9 | 0 | 0 | 0 | 0 | 109.4 | R177 A178 L232 | R177-V201 HydrophobicContact CB-CG1 4.14Å; A178-V201 CarbonylContact O-C 3.53Å; A178-V201 WeakPolarHBondContact O-CA 3.34Å; V201-L232 HydrophobicContact CG1-CD1 4.24Å; V201-L232 HydrophobicContact CG2-CD1 4.42Å |
| 202 | I | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 134.5 | 175.9 | -45.1 | 179.1 | 0 | 0 | 0 | 108.7 | R177 A178 V180 L194 L196 L216 L217 F224 V229 | R177-I202 CarbonylContact C-O 3.47Å; R177-I202 WeakPolarHBondContact CA-O 3.24Å; A178-I202 PolarHBondContact N-O 3.11Å; A178-I202 PolarHBondContact O-N 3.41Å; V180-I202 HydrophobicContact CG2-CD1 3.92Å; V180-I202 HydrophobicContact CG2-CG1 3.99Å; L194-I202 HydrophobicContact CD1-CD1 4.42Å; L194-I202 HydrophobicContact CD1-CG2 3.95Å; L196-I202 HydrophobicContact CD2-CD1 3.55Å; L196-I202 HydrophobicContact CD2-CG1 4.45Å; I202-L216 WeakPolarHBondContact CG2-O 3.37Å; I202-L217 HydrophobicContact CG1-CB 4.39Å; I202-L217 HydrophobicContact CG1-CD2 4.3Å; I202-L217 HydrophobicContact CG2-CB 4.41Å; I202-F224 HydrophobicContact CD1-CB 4.46Å; I202-F224 HydrophobicContact CD1-CD1 3.98Å; I202-F224 HydrophobicContact CD1-CD2 3.83Å; I202-F224 HydrophobicContact CD1-CE1 4.13Å; I202-F224 HydrophobicContact CD1-CE2 4Å; I202-F224 HydrophobicContact CD1-CG 3.82Å; I202-F224 HydrophobicContact CD1-CZ 4.12Å; I202-F224 HydrophobicContact CG2-CD1 4.23Å; I202-F224 HydrophobicContact CG2-CE1 3.78Å; I202-F224 HydrophobicContact CG2-CZ 4.22Å; I202-V229 HydrophobicContact CD1-CG1 3.9Å |
| 203 | Q | 94.6 | Very high | 93.8 | Very high | 75 Ų | 75 | 62.5 Ų | 62.5 | 35% | 0.35 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 114.9 | 168.3 | -143.9 | 172.5 | -4.8 | 0 | 0 | 109.1 | F174 R177 G215 L216 | F174-Q203 HydrophobicContact CB-CG 3.93Å; F174-Q203 HydrophobicContact CD1-CB 3.7Å; F174-Q203 HydrophobicContact CD1-CG 3.44Å; F174-Q203 VanDerWaalsContact CD1-CG 3.44Å; F174-Q203 VanDerWaalsContact CD2-CD 3.47Å; F174-Q203 HydrophobicContact CD2-CG 4.05Å; F174-Q203 HydrophobicContact CE1-CB 3.78Å; F174-Q203 HydrophobicContact CE1-CG 3.87Å; F174-Q203 HydrophobicContact CE2-CG 4.42Å; F174-Q203 HydrophobicContact CG-CB 4.3Å; F174-Q203 HydrophobicContact CG-CG 3.52Å; F174-Q203 HydrophobicContact CZ-CB 4.45Å; F174-Q203 HydrophobicContact CZ-CG 4.33Å; R177-Q203 HydrophobicContact CG-CG 4.27Å; Q203-G215 CarbonylContact O-C 3.6Å; Q203-G215 WeakPolarHBondContact O-CA 3.46Å; Q203-L216 HydrophobicContact CB-CB 4.41Å; Q203-L216 PolarHBondContact N-O 3.13Å; Q203-L216 PolarHBondContact O-N 3.18Å |
| 204 | I | 94.3 | Very high | 93.9 | Very high | 2 Ų | 2 | 64.1 Ų | 64.1 | 1% | 0.01 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 126.9 | -170.7 | -42.6 | 172.8 | 0 | 0 | 0 | 108.9 | F174 C175 G176 A178 K207 W213 F224 | F174-I204 CarbonylContact C-O 3.54Å; F174-I204 WeakPolarHBondContact CA-O 3.46Å; F174-I204 WeakPolarHBondContact CB-O 3.43Å; C175-I204 PolarHBondContact N-O 2.95Å; C175-I204 PolarHBondContact SG-O 3.29Å; G176-I204 PolarHBondContact O-N 2.93Å; A178-I204 HydrophobicContact CB-CD1 3.93Å; A178-I204 HydrophobicContact CB-CG1 4.16Å; I204-K207 HydrophobicContact CG2-CB 4.32Å; I204-W213 HydrophobicContact CD1-CE3 4.23Å; I204-W213 HydrophobicContact CD1-CZ3 4.06Å; I204-W213 HydrophobicContact CG2-CE3 4.3Å; I204-F224 HydrophobicContact CG2-CZ 4.47Å |
| 205 | I | 94.3 | Very high | 93.9 | Very high | 20 Ų | 20 | 63.8 Ų | 63.8 | 10% | 0.103 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | -49.7 | 176.9 | -63.6 | 169 | 0 | 0 | 0 | 109.5 | Y170 F174 C175 L214 L216 L221 | Y170-I205 HydrophobicContact CD1-CD1 3.44Å; Y170-I205 VanDerWaalsContact CD1-CD1 3.44Å; Y170-I205 HydrophobicContact CD1-CG1 3.68Å; Y170-I205 HydrophobicContact CD1-CG2 4.43Å; Y170-I205 HydrophobicContact CD2-CD1 4.26Å; Y170-I205 HydrophobicContact CE1-CB 4.2Å; Y170-I205 HydrophobicContact CE1-CD1 3.78Å; Y170-I205 HydrophobicContact CE1-CG1 3.6Å; Y170-I205 HydrophobicContact CE1-CG2 3.64Å; Y170-I205 HydrophobicContact CE2-CG2 4.18Å; Y170-I205 HydrophobicContact CG-CD1 3.71Å; Y170-I205 HydrophobicContact CG-CG1 4.43Å; Y170-I205 VanDerWaalsContact CZ-CG2 3.48Å; Y170-I205 WeakPolarHBondContact OH-CG2 3.3Å; F174-I205 HydrophobicContact CD1-CG1 3.76Å; F174-I205 HydrophobicContact CE1-CD1 4.26Å; F174-I205 HydrophobicContact CE1-CG1 3.72Å; C175-I205 VanDerWaalsContact SG-C 3.59Å; C175-I205 PolarHBondContact SG-O 2.83Å; I205-L214 HydrophobicContact CB-CB 4.48Å; I205-L214 HydrophobicContact CB-CD2 4.36Å; I205-L214 HydrophobicContact CB-CG 4.36Å; I205-L214 HydrophobicContact CG2-CD2 4.05Å; I205-L214 PolarHBondContact N-O 3.12Å; I205-L216 HydrophobicContact CD1-CB 4.39Å; I205-L221 HydrophobicContact CD1-CD1 4.14Å; I205-L221 HydrophobicContact CD1-CD2 3.64Å; I205-L221 HydrophobicContact CD1-CG 3.66Å |
| 206 | E | 92.8 | Very high | 93.9 | Very high | 113 Ų | 113 | 59.7 Ų | 59.7 | 53% | 0.528 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 133.7 | 179.4 | -155.5 | -172 | 149.3 | 0 | 0 | 111.1 | P208 W213 L214 | E206-P208 VanDerWaalsContact C-CD 3.41Å; E206-P208 HydrophobicContact CG-CG 4.38Å; E206-P208 WeakPolarHBondContact O-CD 3.41Å; E206-W213 WeakPolarHBondContact O-CA 3.43Å; E206-W213 WeakPolarHBondContact O-CB 3.03Å; E206-L214 HydrophobicContact CB-CB 3.93Å; E206-L214 PolarHBondContact N-O 3.14Å; E206-L214 VanDerWaalsContact N-O 3.09Å; E206-L214 PolarHBondContact O-N 3.48Å |
| 207 | K | 92.9 | Very high | 93.8 | Very high | 125 Ų | 125 | 60 Ų | 60 | 54% | 0.543 | 34% | 0.335 | S | S | . | . | trans | -119.2 | 70.1 | 178.5 | 59.6 | 180 | -161.5 | 71.4 | 0 | 113 | I204 W213 | I204-K207 HydrophobicContact CG2-CB 4.32Å; K207-W213 HydrophobicContact CB-CD2 4.15Å; K207-W213 HydrophobicContact CB-CG 4.47Å; K207-W213 HydrophobicContact CB-CZ2 4.34Å | ||
| 208 | P | 91.9 | Very high | 93.5 | Very high | 34 Ų | 34 | 61.4 Ų | 61.4 | 22% | 0.221 | 35% | 0.346 | C | S | . | . | trans | -50.5 | 141.8 | 168.5 | -27.8 | 36.4 | 0 | 0 | 0 | 111.4 | E206 V210 W213 | E206-P208 VanDerWaalsContact C-CD 3.41Å; E206-P208 HydrophobicContact CG-CG 4.38Å; E206-P208 WeakPolarHBondContact O-CD 3.41Å; P208-V210 PolarHBondContact O-N 3.45Å; P208-V210 VanDerWaalsContact O-N 3.12Å; P208-W213 PolarHBondContact O-NE1 2.9Å | ||
| 209 | P | 86.2 | Confident | 93.2 | Very high | 128 Ų | 128 | 56.1 Ų | 56.1 | 83% | 0.831 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -67.6 | -13.3 | -177.6 | 28.3 | -35.8 | 0 | 0 | 0 | 113.5 | ||
| 210 | V | 86.7 | Confident | 93 | Very high | 113 Ų | 113 | 60.4 Ų | 60.4 | 69% | 0.685 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -144.9 | 152 | 178.3 | -66.6 | 0 | 0 | 0 | 0 | 109.8 | P208 | P208-V210 PolarHBondContact O-N 3.45Å; P208-V210 VanDerWaalsContact O-N 3.12Å |
| 211 | G | 91 | Very high | 92.9 | Very high | 48 Ų | 48 | 62.5 Ų | 62.5 | 50% | 0.495 | 35% | 0.351 | S | S | . | . | S | Bend | trans | 94.5 | -134.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | F226 | G211-F226 WeakPolarHBondContact O-CD1 3.28Š|
| 212 | T | 94.3 | Very high | 92.8 | Very high | 66 Ų | 66 | 59.2 Ų | 59.2 | 41% | 0.405 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 148.7 | 175.6 | 42.4 | 0 | 0 | 0 | 0 | 110.9 | F224 K225 | T212-F224 CarbonylContact C-O 3.51Å; T212-F224 VanDerWaalsContact CA-O 3.3Å; T212-F224 WeakPolarHBondContact CA-O 3.48Å; T212-F224 WeakPolarHBondContact CB-O 3.37Å; T212-K225 HydrophobicContact CG2-CG 3.79Å |
| 213 | W | 96.3 | Very high | 92.9 | Very high | 33 Ų | 33 | 60.6 Ų | 60.6 | 13% | 0.125 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 156.6 | 170.1 | -70 | 0.2 | 0 | 0 | 0 | 109.5 | I204 E206 K207 P208 S223 F224 F226 V229 V231 | I204-W213 HydrophobicContact CD1-CE3 4.23Å; I204-W213 HydrophobicContact CD1-CZ3 4.06Å; I204-W213 HydrophobicContact CG2-CE3 4.3Å; E206-W213 WeakPolarHBondContact O-CA 3.43Å; E206-W213 WeakPolarHBondContact O-CB 3.03Å; K207-W213 HydrophobicContact CB-CD2 4.15Å; K207-W213 HydrophobicContact CB-CG 4.47Å; K207-W213 HydrophobicContact CB-CZ2 4.34Å; P208-W213 PolarHBondContact O-NE1 2.9Å; W213-S223 CarbonylContact O-C 3.36Å; W213-S223 VanDerWaalsContact O-CA 3.24Å; W213-S223 WeakPolarHBondContact O-CA 3.31Å; W213-F224 HydrophobicContact CB-CD1 4.38Å; W213-F224 HydrophobicContact CB-CD2 4.45Å; W213-F224 HydrophobicContact CB-CE1 3.82Å; W213-F224 HydrophobicContact CB-CE2 3.88Å; W213-F224 HydrophobicContact CB-CZ 3.56Å; W213-F224 HydrophobicContact CD2-CE2 4.43Å; W213-F224 HydrophobicContact CD2-CZ 4.46Å; W213-F224 AromaticContact CE3-CE2 3.8Å; W213-F224 HydrophobicContact CE3-CE2 3.8Å; W213-F224 AromaticContact CE3-CZ 3.85Å; W213-F224 HydrophobicContact CE3-CZ 3.85Å; W213-F224 HydrophobicContact CG-CZ 4.42Å; W213-F224 PolarHBondContact N-O 2.87Å; W213-F224 WeakPolarHBondContact O-CD1 3.44Å; W213-F224 PolarHBondContact O-N 3.22Å; W213-F226 HydrophobicContact CD2-CB 3.59Å; W213-F226 VanDerWaalsContact CE2-CB 3.44Å; W213-F226 HydrophobicContact CE3-CB 3.85Å; W213-F226 HydrophobicContact CG-CB 4.16Å; W213-F226 HydrophobicContact CH2-CB 3.85Å; W213-F226 HydrophobicContact CZ2-CB 3.61Å; W213-F226 HydrophobicContact CZ2-CG 4.17Å; W213-F226 HydrophobicContact CZ3-CB 3.96Å; W213-V229 HydrophobicContact CZ3-CG2 4.27Å; W213-V231 HydrophobicContact CH2-CG2 3.58Å; W213-V231 HydrophobicContact CZ3-CG2 3.67Å |
| 214 | L | 95.7 | Very high | 92.9 | Very high | 58 Ų | 58 | 57.1 Ų | 57.1 | 30% | 0.304 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 135 | 175.4 | -170.1 | 70.9 | 0 | 0 | 0 | 108.8 | I205 E206 L221 | I205-L214 HydrophobicContact CB-CB 4.48Å; I205-L214 HydrophobicContact CB-CD2 4.36Å; I205-L214 HydrophobicContact CB-CG 4.36Å; I205-L214 HydrophobicContact CG2-CD2 4.05Å; I205-L214 PolarHBondContact N-O 3.12Å; E206-L214 HydrophobicContact CB-CB 3.93Å; E206-L214 PolarHBondContact N-O 3.14Å; E206-L214 VanDerWaalsContact N-O 3.09Å; E206-L214 PolarHBondContact O-N 3.48Å; L214-L221 HydrophobicContact CD1-CD2 3.6Å; L214-L221 HydrophobicContact CD2-CD2 4.02Å; L214-L221 HydrophobicContact CG-CD2 3.68Å |
| 215 | G | 95.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 175.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q203 L221 G222 | Q203-G215 CarbonylContact O-C 3.6Å; Q203-G215 WeakPolarHBondContact O-CA 3.46Å; G215-L221 WeakPolarHBondContact O-CA 3.42Å; G215-G222 PolarHBondContact N-O 3.28Å; G215-G222 PolarHBondContact O-N 3.16Å |
| 216 | L | 95.1 | Very high | 92.9 | Very high | 29 Ų | 29 | 64.9 Ų | 64.9 | 15% | 0.152 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 124.1 | 176.2 | -168.1 | 77.3 | 0 | 0 | 0 | 109 | F174 I202 Q203 I205 K220 L221 | F174-L216 HydrophobicContact CE1-CB 4Å; F174-L216 HydrophobicContact CE1-CD2 4.25Å; F174-L216 HydrophobicContact CZ-CD2 3.97Å; I202-L216 WeakPolarHBondContact CG2-O 3.37Å; Q203-L216 HydrophobicContact CB-CB 4.41Å; Q203-L216 PolarHBondContact N-O 3.13Å; Q203-L216 PolarHBondContact O-N 3.18Å; I205-L216 HydrophobicContact CD1-CB 4.39Å; L216-K220 WeakPolarHBondContact CA-O 3.39Å; L216-L221 HydrophobicContact CD1-CB 4.09Å; L216-L221 HydrophobicContact CD1-CG 4.39Å |
| 217 | L | 94.3 | Very high | 93.1 | Very high | 8 Ų | 8 | 63.9 Ų | 63.9 | 4% | 0.042 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 127.5 | 174.4 | 175.7 | 60.8 | 0 | 0 | 0 | 109.2 | L194 K195 L196 D200 I202 G219 K220 | L194-L217 HydrophobicContact CD1-CB 3.94Å; L194-L217 HydrophobicContact CD2-CB 4.3Å; K195-L217 VanDerWaalsContact O-CD2 3.28Å; K195-L217 WeakPolarHBondContact O-CD2 3.4Å; L196-L217 HydrophobicContact CD2-CD2 3.96Å; D200-L217 HydrophobicContact CB-CD1 3.83Å; D200-L217 HydrophobicContact CB-CD2 4.23Å; I202-L217 HydrophobicContact CG1-CB 4.39Å; I202-L217 HydrophobicContact CG1-CD2 4.3Å; I202-L217 HydrophobicContact CG2-CB 4.41Å; L217-G219 PolarHBondContact O-N 3.23Å; L217-K220 PolarHBondContact N-O 3.12Å; L217-K220 WeakPolarHBondContact O-CB 3.47Å; L217-K220 PolarHBondContact O-N 3.04Å |
| 218 | N | 90.5 | Very high | 93.2 | Very high | 132 Ų | 132 | 60.1 Ų | 60.1 | 71% | 0.706 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 39.4 | -179.9 | -59.5 | -32.1 | 0 | 0 | 0 | 113.3 | K220 | N218-K220 PolarHBondContact O-N 3.18Š|
| 219 | G | 89.1 | Confident | 93.4 | Very high | 42 Ų | 42 | 59 Ų | 59 | 43% | 0.433 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76 | -7.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | L217 | L217-G219 PolarHBondContact O-N 3.23Š|
| 220 | K | 91.5 | Very high | 93.8 | Very high | 136 Ų | 136 | 56.7 Ų | 56.7 | 59% | 0.591 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 128.4 | 178.4 | -60.1 | -169.2 | 178.6 | -168.1 | 0 | 110.2 | L194 L216 L217 N218 | L194-K220 HydrophobicContact CD2-CB 4.28Å; L194-K220 WeakPolarHBondContact CD2-O 3.48Å; L216-K220 WeakPolarHBondContact CA-O 3.39Å; L217-K220 PolarHBondContact N-O 3.12Å; L217-K220 WeakPolarHBondContact O-CB 3.47Å; L217-K220 PolarHBondContact O-N 3.04Å; N218-K220 PolarHBondContact O-N 3.18Å |
| 221 | L | 93.8 | Very high | 94.1 | Very high | 78 Ų | 78 | 55.5 Ų | 55.5 | 41% | 0.408 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 128.3 | 175.7 | -151.6 | -177 | 0 | 0 | 0 | 107.6 | Y170 I205 L214 G215 L216 | Y170-L221 HydrophobicContact CD2-CD1 3.91Å; Y170-L221 HydrophobicContact CG-CD1 4.09Å; I205-L221 HydrophobicContact CD1-CD1 4.14Å; I205-L221 HydrophobicContact CD1-CD2 3.64Å; I205-L221 HydrophobicContact CD1-CG 3.66Å; L214-L221 HydrophobicContact CD1-CD2 3.6Å; L214-L221 HydrophobicContact CD2-CD2 4.02Å; L214-L221 HydrophobicContact CG-CD2 3.68Å; G215-L221 WeakPolarHBondContact O-CA 3.42Å; L216-L221 HydrophobicContact CD1-CB 4.09Å; L216-L221 HydrophobicContact CD1-CG 4.39Å |
| 222 | G | 94.2 | Very high | 94.2 | Very high | 4 Ų | 4 | 55 Ų | 55 | 4% | 0.041 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.7 | 172.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | D192 G215 | D192-G222 CarbonylContact O-C 3.59Å; D192-G222 WeakPolarHBondContact O-CA 3.14Å; G215-G222 PolarHBondContact N-O 3.28Å; G215-G222 PolarHBondContact O-N 3.16Å |
| 223 | S | 95.7 | Very high | 93.5 | Very high | 28 Ų | 28 | 57.2 Ų | 57.2 | 20% | 0.196 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 148.3 | 178.4 | 91.3 | 0 | 0 | 0 | 0 | 111.8 | D192 S193 L194 W213 | D192-S223 PolarHBondContact O-N 2.99Å; S193-S223 CarbonylContact C-O 3.56Å; S193-S223 WeakPolarHBondContact CA-O 3.36Å; L194-S223 PolarHBondContact N-O 3.21Å; W213-S223 CarbonylContact O-C 3.36Å; W213-S223 VanDerWaalsContact O-CA 3.24Å; W213-S223 WeakPolarHBondContact O-CA 3.31Å |
| 224 | F | 95.7 | Very high | 92.3 | Very high | 3 Ų | 3 | 60.5 Ų | 60.5 | 1% | 0.013 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 156.6 | 173.9 | 66.1 | -84.1 | 0 | 0 | 0 | 109.7 | L194 L196 I202 I204 T212 W213 V229 | L194-F224 HydrophobicContact CB-CB 4.5Å; L194-F224 HydrophobicContact CD1-CD1 3.88Å; L196-F224 HydrophobicContact CD1-CB 4.12Å; L196-F224 HydrophobicContact CD2-CB 4.14Å; I202-F224 HydrophobicContact CD1-CB 4.46Å; I202-F224 HydrophobicContact CD1-CD1 3.98Å; I202-F224 HydrophobicContact CD1-CD2 3.83Å; I202-F224 HydrophobicContact CD1-CE1 4.13Å; I202-F224 HydrophobicContact CD1-CE2 4Å; I202-F224 HydrophobicContact CD1-CG 3.82Å; I202-F224 HydrophobicContact CD1-CZ 4.12Å; I202-F224 HydrophobicContact CG2-CD1 4.23Å; I202-F224 HydrophobicContact CG2-CE1 3.78Å; I202-F224 HydrophobicContact CG2-CZ 4.22Å; I204-F224 HydrophobicContact CG2-CZ 4.47Å; T212-F224 CarbonylContact C-O 3.51Å; T212-F224 VanDerWaalsContact CA-O 3.3Å; T212-F224 WeakPolarHBondContact CA-O 3.48Å; T212-F224 WeakPolarHBondContact CB-O 3.37Å; W213-F224 HydrophobicContact CB-CD1 4.38Å; W213-F224 HydrophobicContact CB-CD2 4.45Å; W213-F224 HydrophobicContact CB-CE1 3.82Å; W213-F224 HydrophobicContact CB-CE2 3.88Å; W213-F224 HydrophobicContact CB-CZ 3.56Å; W213-F224 HydrophobicContact CD2-CE2 4.43Å; W213-F224 HydrophobicContact CD2-CZ 4.46Å; W213-F224 AromaticContact CE3-CE2 3.8Å; W213-F224 HydrophobicContact CE3-CE2 3.8Å; W213-F224 AromaticContact CE3-CZ 3.85Å; W213-F224 HydrophobicContact CE3-CZ 3.85Å; W213-F224 HydrophobicContact CG-CZ 4.42Å; W213-F224 PolarHBondContact N-O 2.87Å; W213-F224 WeakPolarHBondContact O-CD1 3.44Å; W213-F224 PolarHBondContact O-N 3.22Å; F224-V229 HydrophobicContact CD2-CG1 3.94Å; F224-V229 HydrophobicContact CD2-CG2 4.35Å; F224-V229 HydrophobicContact CE2-CG1 3.98Å; F224-V229 HydrophobicContact CE2-CG2 3.7Å |
| 225 | K | 95 | Very high | 90.5 | Very high | 100 Ų | 100 | 64.9 Ų | 64.9 | 44% | 0.435 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 131.6 | 175.9 | -64.7 | 173.6 | 145.7 | 169.8 | 0 | 109.8 | T212 I227 Y228 | T212-K225 HydrophobicContact CG2-CG 3.79Å; K225-I227 HydrophobicContact CB-CD1 4.49Å; K225-I227 HydrophobicContact CB-CG1 3.86Å; K225-I227 HydrophobicContact CD-CD1 4.35Å; K225-I227 PolarHBondContact O-N 3.39Å; K225-I227 VanDerWaalsContact O-N 3.12Å; K225-Y228 HydrophobicContact CB-CD2 3.88Å; K225-Y228 HydrophobicContact CB-CE2 3.8Å; K225-Y228 HydrophobicContact CD-CE2 3.84Å; K225-Y228 HydrophobicContact CG-CE2 4.2Å; K225-Y228 PolarHBondContact O-N 3.41Å |
| 226 | F | 94.3 | Very high | 88.3 | Confident | 85 Ų | 85 | 69 Ų | 69 | 37% | 0.373 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -60.2 | -24.7 | 179.9 | 74 | -91.1 | 0 | 0 | 0 | 113.2 | G211 W213 Y228 V229 | G211-F226 WeakPolarHBondContact O-CD1 3.28Å; W213-F226 HydrophobicContact CD2-CB 3.59Å; W213-F226 VanDerWaalsContact CE2-CB 3.44Å; W213-F226 HydrophobicContact CE3-CB 3.85Å; W213-F226 HydrophobicContact CG-CB 4.16Å; W213-F226 HydrophobicContact CH2-CB 3.85Å; W213-F226 HydrophobicContact CZ2-CB 3.61Å; W213-F226 HydrophobicContact CZ2-CG 4.17Å; W213-F226 HydrophobicContact CZ3-CB 3.96Å; F226-Y228 PolarHBondContact O-N 2.87Å; F226-V229 PolarHBondContact O-N 3.01Å; F226-V229 VanDerWaalsContact O-N 3.16Å; F226-V229 VanDerWaalsContact O-O 3.14Å |
| 227 | I | 95.5 | Very high | 86.3 | Confident | 92 Ų | 92 | 73.9 Ų | 73.9 | 47% | 0.472 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -65.5 | -1.8 | 177.2 | 69 | 172.5 | 0 | 0 | 0 | 115.1 | H181 K225 | H181-I227 PolarHBondContact CE1-O 3.17Å; K225-I227 HydrophobicContact CB-CD1 4.49Å; K225-I227 HydrophobicContact CB-CG1 3.86Å; K225-I227 HydrophobicContact CD-CD1 4.35Å; K225-I227 PolarHBondContact O-N 3.39Å; K225-I227 VanDerWaalsContact O-N 3.12Å |
| 228 | Y | 95.7 | Very high | 83.8 | Confident | 46 Ų | 46 | 76.6 Ų | 76.6 | 18% | 0.18 | 44% | 0.436 | C | S | . | . | G | 310 helix | trans | -109.2 | -0.9 | 177.5 | -56 | -40.3 | 0 | 0 | 0 | 113 | H181 T182 F184 L196 K225 F226 | H181-Y228 VanDerWaalsContact CE1-C 3.49Å; H181-Y228 PolarHBondContact N-O 2.78Å; H181-Y228 VanDerWaalsContact NE2-C 3.32Å; T182-Y228 HydrophobicContact CG2-CD1 3.87Å; T182-Y228 HydrophobicContact CG2-CE1 4.35Å; T182-Y228 PolarHBondContact N-O 3.43Å; F184-Y228 HydrophobicContact CB-CD2 3.98Å; F184-Y228 HydrophobicContact CB-CE2 4.04Å; F184-Y228 HydrophobicContact CD1-CE2 4.47Å; F184-Y228 HydrophobicContact CD2-CD2 4.47Å; F184-Y228 AromaticContact CD2-CE2 3.68Å; F184-Y228 HydrophobicContact CD2-CE2 3.68Å; F184-Y228 HydrophobicContact CE2-CE2 4.28Å; F184-Y228 HydrophobicContact CG-CD2 4.16Å; F184-Y228 AromaticContact CG-CE2 3.8Å; F184-Y228 HydrophobicContact CG-CE2 3.8Å; L196-Y228 HydrophobicContact CD1-CD2 3.98Å; L196-Y228 HydrophobicContact CD1-CG 4.38Å; K225-Y228 HydrophobicContact CB-CD2 3.88Å; K225-Y228 HydrophobicContact CB-CE2 3.8Å; K225-Y228 HydrophobicContact CD-CE2 3.84Å; K225-Y228 HydrophobicContact CG-CE2 4.2Å; K225-Y228 PolarHBondContact O-N 3.41Å; F226-Y228 PolarHBondContact O-N 2.87Å |
| 229 | V | 95.5 | Very high | 81.6 | Confident | 10 Ų | 10 | 76.2 Ų | 76.2 | 6% | 0.061 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 144.5 | -172.5 | -45.2 | 0 | 0 | 0 | 0 | 113 | A178 R179 V180 H181 L196 I202 W213 F224 F226 | A178-V229 HydrophobicContact CB-CB 3.82Å; A178-V229 HydrophobicContact CB-CG2 3.47Å; A178-V229 VanDerWaalsContact CB-CG2 3.47Å; R179-V229 CarbonylContact O-C 3.53Å; R179-V229 VanDerWaalsContact O-CA 3.28Å; R179-V229 WeakPolarHBondContact O-CA 3.25Å; V180-V229 HydrophobicContact CG2-CG1 4.01Å; H181-V229 VanDerWaalsContact CD2-C 3.45Å; H181-V229 PolarHBondContact NE2-N 2.69Å; L196-V229 HydrophobicContact CD1-CG1 4.45Å; I202-V229 HydrophobicContact CD1-CG1 3.9Å; W213-V229 HydrophobicContact CZ3-CG2 4.27Å; F224-V229 HydrophobicContact CD2-CG1 3.94Å; F224-V229 HydrophobicContact CD2-CG2 4.35Å; F224-V229 HydrophobicContact CE2-CG1 3.98Å; F224-V229 HydrophobicContact CE2-CG2 3.7Å; F226-V229 PolarHBondContact O-N 3.01Å; F226-V229 VanDerWaalsContact O-N 3.16Å; F226-V229 VanDerWaalsContact O-O 3.14Å |
| 230 | D | 95.2 | Very high | 79.8 | Confident | 79 Ų | 79 | 80.9 Ų | 80.9 | 42% | 0.422 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 127.6 | 167.2 | -62.8 | -50.5 | 0 | 0 | 0 | 109.3 | A178 R179 H181 L232 | A178-D230 CarbonylContact C-O 3.47Å; A178-D230 WeakPolarHBondContact CA-O 3.4Å; A178-D230 WeakPolarHBondContact CB-O 3.48Å; R179-D230 PolarHBondContact N-O 3.32Å; R179-D230 PolarHBondContact O-N 2.95Å; H181-D230 IonicContact CD2-OD1 3.93Å; H181-D230 IonicContact CD2-OD2 2.71Å; D230-L232 PolarHBondContact O-N 2.96Å |
| 231 | V | 93.9 | Very high | 77.9 | Confident | 89 Ų | 89 | 84.2 Ų | 84.2 | 54% | 0.539 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 121.3 | 172.3 | 179.8 | 0 | 0 | 0 | 0 | 108.9 | W213 | W213-V231 HydrophobicContact CH2-CG2 3.58Å; W213-V231 HydrophobicContact CZ3-CG2 3.67Å |
| 232 | L | 91.3 | Very high | 75.4 | Confident | 37 Ų | 37 | 86.3 Ų | 86.3 | 19% | 0.194 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 139.9 | 172.2 | -64 | 179.5 | 0 | 0 | 0 | 109.1 | R177 R179 V201 D230 E234 | R177-L232 HydrophobicContact CB-CB 4.37Å; R177-L232 HydrophobicContact CB-CD1 4.46Å; R177-L232 PolarHBondContact O-N 2.92Å; R179-L232 HydrophobicContact CB-CD1 4.07Å; R179-L232 HydrophobicContact CB-CD2 3.99Å; R179-L232 HydrophobicContact CB-CG 4.02Å; V201-L232 HydrophobicContact CG1-CD1 4.24Å; V201-L232 HydrophobicContact CG2-CD1 4.42Å; D230-L232 PolarHBondContact O-N 2.96Å; L232-E234 PolarHBondContact O-N 2.83Å |
| 233 | P | 80.2 | Confident | 73 | Confident | 112 Ų | 112 | 91.1 Ų | 91.1 | 73% | 0.727 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 135.9 | 168.9 | 25.9 | -32.8 | 0 | 0 | 0 | 109.9 | E235 | P233-E235 PolarHBondContact O-N 2.83Š|
| 234 | E | 71.9 | Confident | 71 | Confident | 103 Ų | 103 | 98.1 Ų | 98.1 | 48% | 0.481 | 54% | 0.543 | S | S | . | . | trans | -63.3 | 115.6 | 175.9 | -165.9 | 82.1 | 158.5 | 0 | 0 | 108.8 | G176 L232 A236 | G176-E234 WeakPolarHBondContact CA-OE2 3.05Å; L232-E234 PolarHBondContact O-N 2.83Å; E234-A236 PolarHBondContact O-N 2.82Å | ||
| 235 | E | 57.4 | Low | 69 | Low | 149 Ų | 149 | 108.5 Ų | 108.5 | 70% | 0.696 | 58% | 0.582 | S | S | * | * | trans | -83.1 | 106.9 | 174.6 | -144.6 | -81.3 | 119 | 0 | 0 | 105.6 | P233 V237 | P233-E235 PolarHBondContact O-N 2.83Å; E235-V237 PolarHBondContact O-N 3.5Å | ||
| 236 | A | 48.6 | Very low | 67 | Low | 87 Ų | 87 | 113.1 Ų | 113.1 | 72% | 0.719 | 61% | 0.605 | S | S | * | * | trans | -82.6 | 85 | -145.2 | 0 | 0 | 0 | 0 | 0 | 114 | E234 | E234-A236 PolarHBondContact O-N 2.82Š| ||
| 237 | V | 53.5 | Low | 64.8 | Low | 132 Ų | 132 | 114.5 Ų | 114.5 | 80% | 0.8 | 63% | 0.625 | S | S | * | * | trans | -93.3 | 105.5 | 158 | -172 | 0 | 0 | 0 | 0 | 107.7 | E235 | E235-V237 PolarHBondContact O-N 3.5Š| ||
| 238 | G | 41.5 | Very low | 62.9 | Low | 65 Ų | 65 | 118.4 Ų | 118.4 | 67% | 0.67 | 64% | 0.639 | S | S | * | * | trans | -65.1 | 174.7 | -168.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 239 | P | 44.7 | Very low | 60.7 | Low | 124 Ų | 124 | 118.4 Ų | 118.4 | 81% | 0.805 | 65% | 0.652 | S | S | * | * | -137.2 | 149.5 | 56.7 | 37.5 | -21.9 | 0 | 0 | 0 | 117.7 | R241 | P239-R241 PolarHBondContact O-N 3.12Š| |||
| 240 | V | 50.4 | Low | 59 | Low | 140 Ų | 140 | 127.7 Ų | 127.7 | 85% | 0.848 | 69% | 0.692 | S | S | * | * | trans | 8.5 | 103.7 | 153.7 | -167.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 241 | R | 51 | Low | 57.4 | Low | 206 Ų | 206 | 133.3 Ų | 133.3 | 78% | 0.777 | 71% | 0.707 | S | S | * | * | trans | -127.4 | 140.2 | 137.5 | -67.9 | -169.9 | -176.1 | -170.5 | 3.6 | 108.8 | P239 S243 | P239-R241 PolarHBondContact O-N 3.12Å; R241-S243 PolarHBondContact O-N 2.93Å | ||
| 242 | P | 41.4 | Very low | 56.3 | Low | 121 Ų | 121 | 133.5 Ų | 133.5 | 79% | 0.786 | 71% | 0.71 | S | S | * | * | trans | -76.8 | 75 | -178.1 | 32.4 | -35.4 | 0 | 0 | 0 | 110.7 | R244 | P242-R244 PolarHBondContact O-N 3.47Š| ||
| 243 | S | 44.6 | Very low | 55.7 | Low | 106 Ų | 106 | 135.8 Ų | 135.8 | 74% | 0.741 | 72% | 0.719 | S | S | * | * | trans | -71.7 | 77.3 | 164.4 | -174.1 | 0 | 0 | 0 | 0 | 108.7 | R241 R245 | R241-S243 PolarHBondContact O-N 2.93Å; S243-R245 PolarHBondContact O-N 3.34Å | ||
| 244 | R | 53.8 | Low | 55.9 | Low | 175 Ų | 175 | 131.2 Ų | 131.2 | 66% | 0.66 | 69% | 0.689 | S | S | * | * | trans | -70.3 | 65 | 177.3 | -173.7 | -167.3 | 178.3 | 154.1 | -1.2 | 110.8 | P242 E311 | P242-R244 PolarHBondContact O-N 3.47Å; R244-E311 IonicContact CZ-OE1 3.86Å; R244-E311 IonicContact CZ-OE2 3.25Å; R244-E311 IonicContact NH2-OE1 3.41Å; R244-E311 PolarHBondContact NH2-OE1 2.79Å; R244-E311 IonicContact NH2-OE2 3.38Å; R244-E311 PolarHBondContact NH2-OE2 2.81Å | ||
| 245 | R | 52.6 | Low | 56.4 | Low | 221 Ų | 221 | 134.9 Ų | 134.9 | 83% | 0.834 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -157.7 | 133.4 | 150.7 | -65.7 | -157.4 | -176 | -90.5 | -8.9 | 108 | S243 | S243-R245 PolarHBondContact O-N 3.34Š|
| 246 | Q | 54.5 | Low | 58 | Low | 197 Ų | 197 | 131.1 Ų | 131.1 | 92% | 0.921 | 69% | 0.691 | S | S | * | * | trans | 70.5 | 74.2 | 170.6 | -53 | -171.1 | -5.3 | 0 | 0 | 117.1 | ||||
| 247 | S | 48.2 | Very low | 60.1 | Low | 114 Ų | 114 | 127.2 Ų | 127.2 | 80% | 0.797 | 66% | 0.658 | S | S | * | * | trans | -132.3 | 83.6 | 140.3 | -172.1 | 0 | 0 | 0 | 0 | 109.1 | G249 | S247-G249 PolarHBondContact O-N 3.32Š| ||
| 248 | K | 54.8 | Low | 62 | Low | 174 Ų | 174 | 125.7 Ų | 125.7 | 76% | 0.757 | 64% | 0.642 | S | S | * | * | trans | -74.3 | 55.5 | 164 | -79.9 | -175.7 | 170.1 | -174.9 | 0 | 109.1 | K250 | K248-K250 PolarHBondContact O-N 3.09Š| ||
| 249 | G | 50.6 | Low | 64.4 | Low | 45 Ų | 45 | 125.2 Ų | 125.2 | 46% | 0.464 | 62% | 0.622 | S | S | . | * | trans | -91.2 | 62.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S247 R251 | S247-G249 PolarHBondContact O-N 3.32Å; G249-R251 VanDerWaalsContact C-N 3.28Å; G249-R251 PolarHBondContact O-N 3.26Å | ||
| 250 | K | 58.3 | Low | 66.8 | Low | 205 Ų | 205 | 120 Ų | 120 | 89% | 0.891 | 59% | 0.587 | S | S | * | * | trans | 40.1 | 42.7 | 157.3 | -54.4 | -174.7 | -179.6 | -174.5 | 0 | 116.8 | K248 | K248-K250 PolarHBondContact O-N 3.09Š| ||
| 251 | R | 63.1 | Low | 68.9 | Low | 197 Ų | 197 | 113.3 Ų | 113.3 | 74% | 0.743 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -75.6 | 123.9 | 161 | -69.2 | -74.1 | 174.4 | 140.1 | -3.7 | 106 | G249 K253 Y316 | G249-R251 VanDerWaalsContact C-N 3.28Å; G249-R251 PolarHBondContact O-N 3.26Å; R251-K253 PolarHBondContact O-N 3.42Å; R251-Y316 PolarHBondContact O-OH 3.12Å; R251-Y316 VanDerWaalsContact O-OH 3.08Å |
| 252 | P | 69.7 | Low | 70.9 | Confident | 93 Ų | 93 | 108.4 Ų | 108.4 | 60% | 0.604 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 136.7 | 176.4 | 25.4 | -32.9 | 0 | 0 | 0 | 109 | ||
| 253 | K | 79.7 | Confident | 73.3 | Confident | 86 Ų | 86 | 108.1 Ų | 108.1 | 37% | 0.374 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 130.8 | 174.7 | -165.4 | 176.4 | -170.7 | 176.1 | 0 | 108 | R251 L313 Y316 D317 | R251-K253 PolarHBondContact O-N 3.42Å; K253-L313 HydrophobicContact CG-CD2 4.45Å; K253-Y316 HydrophobicContact CD-CG 4.41Å; K253-Y316 HydrophobicContact CG-CD2 4.38Å; K253-Y316 HydrophobicContact CG-CG 4.35Å; K253-D317 IonicContact NZ-OD1 3.74Å; K253-D317 PolarHBondContact NZ-OD1 3.43Å |
| 254 | P | 83.8 | Confident | 75.6 | Confident | 15 Ų | 15 | 104.8 Ų | 104.8 | 10% | 0.097 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -53.6 | 146.1 | 172.9 | -20.3 | 28.8 | 0 | 0 | 0 | 110.3 | E259 L260 L281 L313 | P254-E259 VanDerWaalsContact CA-OE2 3.32Å; P254-E259 WeakPolarHBondContact CA-OE2 3.42Å; P254-L260 HydrophobicContact CB-CB 3.94Å; P254-L260 HydrophobicContact CG-CB 4.01Å; P254-L260 HydrophobicContact CG-CD1 3.86Å; P254-L260 HydrophobicContact CG-CG 4.39Å; P254-L281 HydrophobicContact CB-CD1 4.07Å; P254-L281 HydrophobicContact CB-CD2 4.39Å; P254-L281 WeakPolarHBondContact O-CD1 3.16Å; P254-L313 HydrophobicContact CG-CD2 4.35Å |
| 255 | K | 82.1 | Confident | 77.4 | Confident | 180 Ų | 180 | 98.7 Ų | 98.7 | 78% | 0.783 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -97.3 | -24.4 | 174.7 | -65.3 | -175.5 | 179.5 | -176.6 | 0 | 112.5 | E259 | K255-E259 PolarHBondContact N-OE2 3.03Š|
| 256 | T | 91.9 | Very high | 79.3 | Confident | 71 Ų | 71 | 88.2 Ų | 88.2 | 44% | 0.436 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -135.8 | 157.4 | 178.8 | 71 | 0 | 0 | 0 | 0 | 111.1 | H258 E259 L260 | T256-H258 VanDerWaalsContact C-N 3.33Å; T256-E259 PolarHBondContact O-N 3.33Å; T256-E259 VanDerWaalsContact OG1-CB 3.24Å; T256-E259 WeakPolarHBondContact OG1-CB 3.41Å; T256-E259 PolarHBondContact OG1-N 2.97Å; T256-E259 VanDerWaalsContact OG1-N 3.17Å; T256-L260 PolarHBondContact O-N 3.27Å; T256-L260 VanDerWaalsContact O-N 3.15Å |
| 257 | L | 92.6 | Very high | 81.1 | Confident | 5 Ų | 5 | 83.6 Ų | 83.6 | 3% | 0.026 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -60.9 | -42.1 | 174.7 | -177 | 151.6 | 0 | 0 | 0 | 111.4 | E259 L260 L261 T270 L274 Y278 L281 F284 | L257-E259 PolarHBondContact O-N 3.39Å; L257-L260 WeakPolarHBondContact O-CB 3.09Å; L257-L260 PolarHBondContact O-N 3.03Å; L257-L260 VanDerWaalsContact O-N 3.14Å; L257-L261 HydrophobicContact CD2-CD1 3.86Å; L257-L261 HydrophobicContact CD2-CD2 3.92Å; L257-L261 HydrophobicContact CD2-CG 4.46Å; L257-L261 HydrophobicContact CG-CD1 4.12Å; L257-L261 WeakPolarHBondContact O-CD1 3.4Å; L257-L261 PolarHBondContact O-N 2.91Å; L257-T270 HydrophobicContact CD2-CG2 4.4Å; L257-L274 HydrophobicContact CD2-CD1 3.89Å; L257-Y278 WeakPolarHBondContact CD1-O 3.4Å; L257-L281 HydrophobicContact CB-CD2 4.48Å; L257-F284 HydrophobicContact CD1-CB 4.22Å; L257-F284 HydrophobicContact CD1-CD2 3.9Å; L257-F284 HydrophobicContact CD1-CG 4.45Å; L257-F284 HydrophobicContact CG-CD2 4.25Å |
| 258 | H | 92.6 | Very high | 83.2 | Confident | 99 Ų | 99 | 84 Ų | 84 | 46% | 0.458 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -56.7 | -49.2 | 175.9 | -174.7 | -69 | 0 | 0 | 0 | 112.2 | T256 L260 L261 E262 | T256-H258 VanDerWaalsContact C-N 3.33Å; H258-L260 PolarHBondContact O-N 3.39Å; H258-L261 PolarHBondContact O-N 3.49Å; H258-L261 VanDerWaalsContact O-N 3.12Å; H258-E262 IonicContact ND1-OE2 3.46Å; H258-E262 WeakPolarHBondContact O-CB 3.42Å; H258-E262 PolarHBondContact O-N 3.22Å |
| 259 | E | 93.3 | Very high | 85 | Confident | 56 Ų | 56 | 77 Ų | 77 | 26% | 0.262 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -68.7 | -19 | -179.6 | -165 | -145.5 | -163 | 0 | 0 | 112.3 | P254 K255 T256 L257 R263 | P254-E259 VanDerWaalsContact CA-OE2 3.32Å; P254-E259 WeakPolarHBondContact CA-OE2 3.42Å; K255-E259 PolarHBondContact N-OE2 3.03Å; T256-E259 PolarHBondContact O-N 3.33Å; T256-E259 VanDerWaalsContact OG1-CB 3.24Å; T256-E259 WeakPolarHBondContact OG1-CB 3.41Å; T256-E259 PolarHBondContact OG1-N 2.97Å; T256-E259 VanDerWaalsContact OG1-N 3.17Å; L257-E259 PolarHBondContact O-N 3.39Å; E259-R263 VanDerWaalsContact CG-NH1 3.25Å; E259-R263 WeakPolarHBondContact O-CD 3.4Å; E259-R263 VanDerWaalsContact O-CG 3.25Å; E259-R263 WeakPolarHBondContact O-CG 3.25Å; E259-R263 PolarHBondContact O-NH1 3.39Å; E259-R263 IonicContact OE1-CZ 2.67Å; E259-R263 IonicContact OE1-NH1 2.68Å; E259-R263 IonicContact OE1-NH2 3.93Å; E259-R263 PolarHBondContact OE1-NH2 3.29Å; E259-R263 IonicContact OE2-CZ 2.65Å; E259-R263 IonicContact OE2-NH1 3.32Å; E259-R263 PolarHBondContact OE2-NH1 2.94Å; E259-R263 IonicContact OE2-NH2 2.96Å; E259-R263 PolarHBondContact OE2-NH2 2.97Å |
| 260 | L | 93.5 | Very high | 87.1 | Confident | 13 Ų | 13 | 75.6 Ų | 75.6 | 7% | 0.068 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -77.2 | -47.6 | 167.2 | 173.3 | 59.3 | 0 | 0 | 0 | 111.3 | P254 T256 L257 H258 E262 R263 I264 L281 F284 A309 L313 | P254-L260 HydrophobicContact CB-CB 3.94Å; P254-L260 HydrophobicContact CG-CB 4.01Å; P254-L260 HydrophobicContact CG-CD1 3.86Å; P254-L260 HydrophobicContact CG-CG 4.39Å; T256-L260 PolarHBondContact O-N 3.27Å; T256-L260 VanDerWaalsContact O-N 3.15Å; L257-L260 WeakPolarHBondContact O-CB 3.09Å; L257-L260 PolarHBondContact O-N 3.03Å; L257-L260 VanDerWaalsContact O-N 3.14Å; H258-L260 PolarHBondContact O-N 3.39Å; L260-E262 PolarHBondContact O-N 3.43Å; L260-R263 PolarHBondContact O-N 3.44Å; L260-I264 HydrophobicContact CD1-CG2 4.34Å; L260-I264 WeakPolarHBondContact O-CG1 3.31Å; L260-I264 PolarHBondContact O-N 2.98Å; L260-L281 HydrophobicContact CB-CD2 4.27Å; L260-L281 HydrophobicContact CD2-CD2 3.94Å; L260-F284 HydrophobicContact CD2-CD1 3.74Å; L260-F284 HydrophobicContact CD2-CE1 3.53Å; L260-F284 HydrophobicContact CD2-CG 4.4Å; L260-F284 HydrophobicContact CD2-CZ 4.01Å; L260-A309 HydrophobicContact CD1-CB 4.12Å; L260-A309 HydrophobicContact CD2-CB 4.35Å; L260-L313 HydrophobicContact CD2-CD1 3.89Å |
| 261 | L | 94 | Very high | 88.8 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.4 | -39 | -178.6 | -94.7 | 63.4 | 0 | 0 | 0 | 112.6 | L257 H258 I264 G265 L266 T270 L273 F284 | L257-L261 HydrophobicContact CD2-CD1 3.86Å; L257-L261 HydrophobicContact CD2-CD2 3.92Å; L257-L261 HydrophobicContact CD2-CG 4.46Å; L257-L261 HydrophobicContact CG-CD1 4.12Å; L257-L261 WeakPolarHBondContact O-CD1 3.4Å; L257-L261 PolarHBondContact O-N 2.91Å; H258-L261 PolarHBondContact O-N 3.49Å; H258-L261 VanDerWaalsContact O-N 3.12Å; L261-I264 WeakPolarHBondContact O-CG1 3.47Å; L261-I264 PolarHBondContact O-N 3.22Å; L261-G265 PolarHBondContact O-N 2.88Å; L261-L266 PolarHBondContact O-N 2.81Å; L261-T270 HydrophobicContact CD2-CG2 4.49Å; L261-T270 VanDerWaalsContact CD2-OG1 3.26Å; L261-T270 WeakPolarHBondContact CD2-OG1 3.26Å; L261-L273 HydrophobicContact CD1-CD1 4.48Å; L261-L273 HydrophobicContact CD2-CD1 3.84Å; L261-F284 HydrophobicContact CD1-CE2 3.84Å; L261-F284 HydrophobicContact CD1-CZ 4.32Å |
| 262 | E | 93.8 | Very high | 90.3 | Very high | 103 Ų | 103 | 63.1 Ų | 63.1 | 48% | 0.481 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -56.4 | -51.6 | 170.3 | 179.2 | 175.6 | -169.7 | 0 | 0 | 111.6 | H258 L260 I264 G265 E267 | H258-E262 IonicContact ND1-OE2 3.46Å; H258-E262 WeakPolarHBondContact O-CB 3.42Å; H258-E262 PolarHBondContact O-N 3.22Å; L260-E262 PolarHBondContact O-N 3.43Å; E262-I264 VanDerWaalsContact C-N 3.28Å; E262-I264 PolarHBondContact O-N 2.66Å; E262-G265 PolarHBondContact O-N 3.02Å; E262-E267 WeakPolarHBondContact CA-OE1 3.3Å; E262-E267 HydrophobicContact CB-CG 4.1Å |
| 263 | R | 92 | Very high | 91.4 | Very high | 115 Ų | 115 | 58.7 Ų | 58.7 | 43% | 0.434 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.6 | -30.5 | 179.7 | -74.5 | 177.6 | -175.9 | 111.3 | -7.9 | 114.6 | E259 L260 | E259-R263 VanDerWaalsContact CG-NH1 3.25Å; E259-R263 WeakPolarHBondContact O-CD 3.4Å; E259-R263 VanDerWaalsContact O-CG 3.25Å; E259-R263 WeakPolarHBondContact O-CG 3.25Å; E259-R263 PolarHBondContact O-NH1 3.39Å; E259-R263 IonicContact OE1-CZ 2.67Å; E259-R263 IonicContact OE1-NH1 2.68Å; E259-R263 IonicContact OE1-NH2 3.93Å; E259-R263 PolarHBondContact OE1-NH2 3.29Å; E259-R263 IonicContact OE2-CZ 2.65Å; E259-R263 IonicContact OE2-NH1 3.32Å; E259-R263 PolarHBondContact OE2-NH1 2.94Å; E259-R263 IonicContact OE2-NH2 2.96Å; E259-R263 PolarHBondContact OE2-NH2 2.97Å; L260-R263 PolarHBondContact O-N 3.44Å |
| 264 | I | 92.4 | Very high | 92 | Very high | 37 Ų | 37 | 58.5 Ų | 58.5 | 19% | 0.19 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -92.8 | -3.2 | 176.8 | 66.7 | -174.5 | 0 | 0 | 0 | 112.6 | L260 L261 E262 L266 K305 L306 A309 | L260-I264 HydrophobicContact CD1-CG2 4.34Å; L260-I264 WeakPolarHBondContact O-CG1 3.31Å; L260-I264 PolarHBondContact O-N 2.98Å; L261-I264 WeakPolarHBondContact O-CG1 3.47Å; L261-I264 PolarHBondContact O-N 3.22Å; E262-I264 VanDerWaalsContact C-N 3.28Å; E262-I264 PolarHBondContact O-N 2.66Å; I264-L266 HydrophobicContact CD1-CB 4.28Å; I264-L266 HydrophobicContact CD1-CD1 3.88Å; I264-L266 HydrophobicContact CD1-CG 4.33Å; I264-L266 HydrophobicContact CG1-CB 3.99Å; I264-L266 HydrophobicContact CG1-CD1 4.11Å; I264-L266 HydrophobicContact CG1-CG 4.03Å; I264-K305 WeakPolarHBondContact O-CD 3.48Å; I264-K305 WeakPolarHBondContact O-CE 3.47Å; I264-K305 PolarHBondContact O-NZ 3.21Å; I264-L306 HydrophobicContact CD1-CD2 3.95Å; I264-A309 HydrophobicContact CD1-CB 4.26Å; I264-A309 HydrophobicContact CG2-CB 4.49Å |
| 265 | G | 91.6 | Very high | 92.5 | Very high | 46 Ų | 46 | 65.2 Ų | 65.2 | 47% | 0.474 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 52.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L261 E262 K305 | L261-G265 PolarHBondContact O-N 2.88Å; E262-G265 PolarHBondContact O-N 3.02Å; G265-K305 PolarHBondContact O-NZ 3Å |
| 266 | L | 93.2 | Very high | 93.1 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | trans | -134.4 | 29.8 | 177.6 | -66.3 | -177.1 | 0 | 0 | 0 | 112.5 | L261 I264 E268 H269 H302 K305 L306 | L261-L266 PolarHBondContact O-N 2.81Å; I264-L266 HydrophobicContact CD1-CB 4.28Å; I264-L266 HydrophobicContact CD1-CD1 3.88Å; I264-L266 HydrophobicContact CD1-CG 4.33Å; I264-L266 HydrophobicContact CG1-CB 3.99Å; I264-L266 HydrophobicContact CG1-CD1 4.11Å; I264-L266 HydrophobicContact CG1-CG 4.03Å; L266-E268 PolarHBondContact O-N 3.12Å; L266-E268 VanDerWaalsContact O-N 3.12Å; L266-H269 PolarHBondContact O-N 2.8Å; L266-H302 HydrophobicContact CD1-CB 4.29Å; L266-H302 HydrophobicContact CD2-CB 3.93Å; L266-H302 WeakPolarHBondContact CD2-CD2 3.17Å; L266-H302 VanDerWaalsContact CD2-CG 3.46Å; L266-K305 HydrophobicContact CD1-CB 3.72Å; L266-K305 HydrophobicContact CD1-CD 3.82Å; L266-K305 HydrophobicContact CD1-CG 4.48Å; L266-K305 HydrophobicContact CD2-CD 4.04Å; L266-K305 HydrophobicContact CG-CD 3.88Å; L266-L306 HydrophobicContact CD1-CD1 4.17Å; L266-L306 HydrophobicContact CD1-CD2 3.79Å; L266-L306 HydrophobicContact CD1-CG 3.59Å | ||
| 267 | E | 92.5 | Very high | 93 | Very high | 100 Ų | 100 | 59.3 Ų | 59.3 | 47% | 0.467 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -53.2 | -31.7 | 178.5 | -67.2 | 161.9 | -135.9 | 0 | 0 | 113 | E262 H269 T270 | E262-E267 WeakPolarHBondContact CA-OE1 3.3Å; E262-E267 HydrophobicContact CB-CG 4.1Å; E267-H269 PolarHBondContact O-N 2.78Å; E267-T270 WeakPolarHBondContact O-CB 3.43Å; E267-T270 PolarHBondContact O-N 2.84Å; E267-T270 PolarHBondContact O-OG1 2.87Å |
| 268 | E | 92.8 | Very high | 93.1 | Very high | 124 Ų | 124 | 60.4 Ų | 60.4 | 58% | 0.579 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -57.1 | -28.6 | 175.2 | 49.8 | 164.1 | -148.8 | 0 | 0 | 114.2 | L266 T270 H302 | L266-E268 PolarHBondContact O-N 3.12Å; L266-E268 VanDerWaalsContact O-N 3.12Å; E268-T270 VanDerWaalsContact C-N 3.35Å; E268-H302 IonicContact OE1-CE1 2.74Å; E268-H302 PolarHBondContact OE1-CE1 3.46Å; E268-H302 IonicContact OE1-ND1 3.51Å; E268-H302 PolarHBondContact OE1-ND1 2.8Å |
| 269 | H | 92.4 | Very high | 93 | Very high | 26 Ų | 26 | 62.7 Ų | 62.7 | 12% | 0.12 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -86.5 | -5 | 178.2 | -63.1 | -65.7 | 0 | 0 | 0 | 113.3 | L266 E267 S271 T272 L273 I297 H302 | L266-H269 PolarHBondContact O-N 2.8Å; E267-H269 PolarHBondContact O-N 2.78Å; H269-S271 PolarHBondContact O-N 2.9Å; H269-T272 WeakPolarHBondContact O-CB 3.24Å; H269-T272 PolarHBondContact O-N 2.89Å; H269-L273 HydrophobicContact CB-CD1 4.2Å; H269-L273 WeakPolarHBondContact O-CB 3.18Å; H269-L273 PolarHBondContact O-N 3.18Å; H269-I297 HydrophobicContact CB-CD1 4.01Å; H269-H302 AromaticContact CD2-ND1 3.99Å; H269-H302 AromaticContact NE2-CE1 3.87Å; H269-H302 AromaticContact NE2-ND1 3.17Å; H269-H302 PolarHBondContact NE2-ND1 2.79Å; H269-H302 VanDerWaalsContact NE2-ND1 3.17Å |
| 270 | T | 93.4 | Very high | 92.9 | Very high | 16 Ų | 16 | 63.3 Ų | 63.3 | 10% | 0.098 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57 | -50.7 | -177.4 | -51.9 | 0 | 0 | 0 | 0 | 111.1 | L257 L261 E267 E268 T272 L273 L274 | L257-T270 HydrophobicContact CD2-CG2 4.4Å; L261-T270 HydrophobicContact CD2-CG2 4.49Å; L261-T270 VanDerWaalsContact CD2-OG1 3.26Å; L261-T270 WeakPolarHBondContact CD2-OG1 3.26Å; E267-T270 WeakPolarHBondContact O-CB 3.43Å; E267-T270 PolarHBondContact O-N 2.84Å; E267-T270 PolarHBondContact O-OG1 2.87Å; E268-T270 VanDerWaalsContact C-N 3.35Å; T270-T272 VanDerWaalsContact C-N 3.32Å; T270-T272 PolarHBondContact O-N 2.83Å; T270-L273 PolarHBondContact O-N 2.92Å; T270-L274 HydrophobicContact CG2-CD1 3.88Å; T270-L274 WeakPolarHBondContact O-CB 3.39Å; T270-L274 VanDerWaalsContact O-CD1 3.31Å; T270-L274 WeakPolarHBondContact O-CD1 3.36Å; T270-L274 PolarHBondContact O-N 3.34Å |
| 271 | S | 94.4 | Very high | 92.8 | Very high | 92 Ų | 92 | 63.9 Ų | 63.9 | 64% | 0.643 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -62.1 | -39.2 | 179.9 | -55 | 0 | 0 | 0 | 0 | 112.5 | H269 L275 | H269-S271 PolarHBondContact O-N 2.9Å; S271-L275 VanDerWaalsContact O-CB 3.31Å; S271-L275 WeakPolarHBondContact O-CB 3.48Å; S271-L275 PolarHBondContact O-N 3.36Å |
| 272 | T | 93.9 | Very high | 92.8 | Very high | 47 Ų | 47 | 69 Ų | 69 | 29% | 0.288 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.6 | -44.7 | 177.8 | -48.9 | 0 | 0 | 0 | 0 | 111.2 | H269 T270 N276 L295 | H269-T272 WeakPolarHBondContact O-CB 3.24Å; H269-T272 PolarHBondContact O-N 2.89Å; T270-T272 VanDerWaalsContact C-N 3.32Å; T270-T272 PolarHBondContact O-N 2.83Å; T272-N276 PolarHBondContact O-N 2.9Å; T272-N276 PolarHBondContact O-ND2 3.35Å; T272-L295 HydrophobicContact CG2-CB 4.24Å; T272-L295 HydrophobicContact CG2-CD2 4.23Å |
| 273 | L | 93.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.5 | -47.6 | 178 | -80.4 | 158.2 | 0 | 0 | 0 | 111.5 | L261 H269 T270 L275 N276 G277 Y278 F284 L287 L295 L306 | L261-L273 HydrophobicContact CD1-CD1 4.48Å; L261-L273 HydrophobicContact CD2-CD1 3.84Å; H269-L273 HydrophobicContact CB-CD1 4.2Å; H269-L273 WeakPolarHBondContact O-CB 3.18Å; H269-L273 PolarHBondContact O-N 3.18Å; T270-L273 PolarHBondContact O-N 2.92Å; L273-L275 PolarHBondContact O-N 3.23Å; L273-N276 CarbonylContact O-C 3.51Å; L273-N276 PolarHBondContact O-N 3.24Å; L273-N276 VanDerWaalsContact O-N 3.12Å; L273-G277 PolarHBondContact O-N 2.8Å; L273-Y278 HydrophobicContact CD2-CD1 4.2Å; L273-Y278 HydrophobicContact CD2-CD2 3.67Å; L273-Y278 HydrophobicContact CD2-CE2 4.19Å; L273-Y278 HydrophobicContact CD2-CG 3.69Å; L273-Y278 WeakPolarHBondContact O-CB 3.5Å; L273-Y278 WeakPolarHBondContact O-CD2 3.34Å; L273-Y278 PolarHBondContact O-N 3.31Å; L273-F284 HydrophobicContact CD1-CE2 4.29Å; L273-L287 HydrophobicContact CD2-CD1 4.17Å; L273-L295 HydrophobicContact CD2-CD1 3.56Å; L273-L295 HydrophobicContact CG-CD1 4.3Å; L273-L306 HydrophobicContact CD1-CD2 4.46Å |
| 274 | L | 93.2 | Very high | 92.8 | Very high | 83 Ų | 83 | 61.4 Ų | 61.4 | 44% | 0.435 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.3 | -43 | 178.2 | -95.5 | 67 | 0 | 0 | 0 | 112.5 | L257 T270 N276 G277 Y278 | L257-L274 HydrophobicContact CD2-CD1 3.89Å; T270-L274 HydrophobicContact CG2-CD1 3.88Å; T270-L274 WeakPolarHBondContact O-CB 3.39Å; T270-L274 VanDerWaalsContact O-CD1 3.31Å; T270-L274 WeakPolarHBondContact O-CD1 3.36Å; T270-L274 PolarHBondContact O-N 3.34Å; L274-N276 PolarHBondContact O-N 3.01Å; L274-G277 PolarHBondContact O-N 2.98Å; L274-G277 VanDerWaalsContact O-N 3.09Å; L274-Y278 WeakPolarHBondContact CD1-O 3.49Å |
| 275 | L | 93.9 | Very high | 92.8 | Very high | 156 Ų | 156 | 60.7 Ų | 60.7 | 82% | 0.817 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -64.2 | -25.1 | 178.6 | -175.1 | 61.3 | 0 | 0 | 0 | 112.7 | S271 L273 | S271-L275 VanDerWaalsContact O-CB 3.31Å; S271-L275 WeakPolarHBondContact O-CB 3.48Å; S271-L275 PolarHBondContact O-N 3.36Å; L273-L275 PolarHBondContact O-N 3.23Å |
| 276 | N | 93.4 | Very high | 92.9 | Very high | 91 Ų | 91 | 64.8 Ų | 64.8 | 49% | 0.487 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 17.4 | 177 | -72.9 | -91.4 | 0 | 0 | 0 | 113 | T272 L273 L274 Y278 L295 | T272-N276 PolarHBondContact O-N 2.9Å; T272-N276 PolarHBondContact O-ND2 3.35Å; L273-N276 CarbonylContact O-C 3.51Å; L273-N276 PolarHBondContact O-N 3.24Å; L273-N276 VanDerWaalsContact O-N 3.12Å; L274-N276 PolarHBondContact O-N 3.01Å; N276-Y278 HydrophobicContact CB-CD2 4.29Å; N276-Y278 HydrophobicContact CB-CE2 4.42Å; N276-L295 HydrophobicContact CB-CD2 3.38Å; N276-L295 VanDerWaalsContact ND2-CD2 3.34Å; N276-L295 WeakPolarHBondContact ND2-CD2 3.38Å |
| 277 | G | 90.6 | Very high | 92.9 | Very high | 36 Ų | 36 | 65 Ų | 65 | 37% | 0.371 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.5 | -6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 116 | L273 L274 Q279 | L273-G277 PolarHBondContact O-N 2.8Å; L274-G277 PolarHBondContact O-N 2.98Å; L274-G277 VanDerWaalsContact O-N 3.09Å; G277-Q279 PolarHBondContact O-N 2.68Å |
| 278 | Y | 94 | Very high | 93 | Very high | 28 Ų | 28 | 66.9 Ų | 66.9 | 11% | 0.11 | 35% | 0.346 | C | S | . | . | trans | -74.1 | 90.4 | 175.3 | -62.6 | -94.3 | 0 | 0 | 0 | 109.7 | L257 L273 L274 N276 D283 L287 H291 L295 | L257-Y278 WeakPolarHBondContact CD1-O 3.4Å; L273-Y278 HydrophobicContact CD2-CD1 4.2Å; L273-Y278 HydrophobicContact CD2-CD2 3.67Å; L273-Y278 HydrophobicContact CD2-CE2 4.19Å; L273-Y278 HydrophobicContact CD2-CG 3.69Å; L273-Y278 WeakPolarHBondContact O-CB 3.5Å; L273-Y278 WeakPolarHBondContact O-CD2 3.34Å; L273-Y278 PolarHBondContact O-N 3.31Å; L274-Y278 WeakPolarHBondContact CD1-O 3.49Å; N276-Y278 HydrophobicContact CB-CD2 4.29Å; N276-Y278 HydrophobicContact CB-CE2 4.42Å; Y278-D283 HydrophobicContact CD1-CB 3.98Å; Y278-D283 WeakPolarHBondContact CD1-O 3.45Å; Y278-D283 VanDerWaalsContact CE1-O 3.25Å; Y278-D283 WeakPolarHBondContact CE1-O 3.34Å; Y278-L287 HydrophobicContact CD1-CD1 4.46Å; Y278-L287 HydrophobicContact CE1-CB 4.27Å; Y278-L287 HydrophobicContact CE1-CD1 3.71Å; Y278-L287 HydrophobicContact CE2-CD1 4.49Å; Y278-H291 VanDerWaalsContact OH-CB 3.25Å; Y278-H291 WeakPolarHBondContact OH-CB 3.5Å; Y278-H291 PolarHBondContact OH-ND1 3.48Å; Y278-L295 HydrophobicContact CE2-CD1 4.21Å | ||
| 279 | Q | 90.7 | Very high | 93 | Very high | 147 Ų | 147 | 66.3 Ų | 66.3 | 69% | 0.687 | 34% | 0.343 | S | S | * | . | trans | -108.2 | -32.7 | -178.5 | -70.4 | 175.4 | 76.9 | 0 | 0 | 111.8 | G277 D283 | G277-Q279 PolarHBondContact O-N 2.68Å; Q279-D283 PolarHBondContact N-OD2 3.33Å | ||
| 280 | T | 92.1 | Very high | 93.1 | Very high | 68 Ų | 68 | 68.4 Ų | 68.4 | 42% | 0.417 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -105.9 | 168.9 | -178.8 | 75.1 | 0 | 0 | 0 | 0 | 111.6 | E282 D283 F284 | T280-E282 WeakPolarHBondContact OG1-CB 3.48Å; T280-E282 PolarHBondContact OG1-N 3.42Å; T280-E282 VanDerWaalsContact OG1-N 3.14Å; T280-D283 WeakPolarHBondContact CA-OD2 3.48Å; T280-D283 WeakPolarHBondContact CB-OD2 3.25Å; T280-D283 PolarHBondContact N-OD2 2.94Å; T280-D283 PolarHBondContact OG1-N 2.93Å; T280-D283 PolarHBondContact OG1-OD1 3.48Å; T280-D283 PolarHBondContact OG1-OD2 3.48Å; T280-F284 PolarHBondContact O-N 2.99Å |
| 281 | L | 92 | Very high | 93.2 | Very high | 25 Ų | 25 | 68.9 Ų | 68.9 | 13% | 0.131 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -73.5 | -15.3 | 169.1 | -68.4 | 170.9 | 0 | 0 | 0 | 112.5 | P254 L257 L260 K285 L313 | P254-L281 HydrophobicContact CB-CD1 4.07Å; P254-L281 HydrophobicContact CB-CD2 4.39Å; P254-L281 WeakPolarHBondContact O-CD1 3.16Å; L257-L281 HydrophobicContact CB-CD2 4.48Å; L260-L281 HydrophobicContact CB-CD2 4.27Å; L260-L281 HydrophobicContact CD2-CD2 3.94Å; L281-K285 WeakPolarHBondContact O-CG 3.34Å; L281-K285 PolarHBondContact O-N 2.65Å; L281-L313 HydrophobicContact CB-CD1 4.5Å; L281-L313 HydrophobicContact CD2-CD1 4.12Å |
| 282 | E | 92.3 | Very high | 93.2 | Very high | 109 Ų | 109 | 64.5 Ų | 64.5 | 51% | 0.509 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -72.5 | -52.8 | 176.7 | -154.3 | 61.6 | -133.5 | 0 | 0 | 110.1 | T280 F284 K285 | T280-E282 WeakPolarHBondContact OG1-CB 3.48Å; T280-E282 PolarHBondContact OG1-N 3.42Å; T280-E282 VanDerWaalsContact OG1-N 3.14Å; E282-F284 PolarHBondContact O-N 3.12Å; E282-F284 VanDerWaalsContact O-N 3.12Å; E282-K285 WeakPolarHBondContact O-CB 3.37Å; E282-K285 PolarHBondContact O-N 3.4Å; E282-K285 WeakPolarHBondContact OE1-CD 3.45Å; E282-K285 IonicContact OE1-NZ 2.58Å; E282-K285 PolarHBondContact OE1-NZ 2.82Å; E282-K285 WeakPolarHBondContact OE2-CE 3.34Å; E282-K285 IonicContact OE2-NZ 3.55Å; E282-K285 PolarHBondContact OE2-NZ 3.17Å |
| 283 | D | 92.8 | Very high | 93.2 | Very high | 58 Ų | 58 | 66.5 Ų | 66.5 | 31% | 0.31 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -52.6 | -38.5 | 174.2 | -40.4 | -49.5 | 0 | 0 | 0 | 110.9 | Y278 Q279 T280 E286 | Y278-D283 HydrophobicContact CD1-CB 3.98Å; Y278-D283 WeakPolarHBondContact CD1-O 3.45Å; Y278-D283 VanDerWaalsContact CE1-O 3.25Å; Y278-D283 WeakPolarHBondContact CE1-O 3.34Å; Q279-D283 PolarHBondContact N-OD2 3.33Å; T280-D283 WeakPolarHBondContact CA-OD2 3.48Å; T280-D283 WeakPolarHBondContact CB-OD2 3.25Å; T280-D283 PolarHBondContact N-OD2 2.94Å; T280-D283 PolarHBondContact OG1-N 2.93Å; T280-D283 PolarHBondContact OG1-OD1 3.48Å; T280-D283 PolarHBondContact OG1-OD2 3.48Å; D283-E286 PolarHBondContact O-N 3.32Å |
| 284 | F | 93.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -70.8 | -26.2 | 179.7 | -167 | -84.4 | 0 | 0 | 0 | 114 | L257 L260 L261 L273 T280 E282 E286 L287 L306 A309 A310 L313 | L257-F284 HydrophobicContact CD1-CB 4.22Å; L257-F284 HydrophobicContact CD1-CD2 3.9Å; L257-F284 HydrophobicContact CD1-CG 4.45Å; L257-F284 HydrophobicContact CG-CD2 4.25Å; L260-F284 HydrophobicContact CD2-CD1 3.74Å; L260-F284 HydrophobicContact CD2-CE1 3.53Å; L260-F284 HydrophobicContact CD2-CG 4.4Å; L260-F284 HydrophobicContact CD2-CZ 4.01Å; L261-F284 HydrophobicContact CD1-CE2 3.84Å; L261-F284 HydrophobicContact CD1-CZ 4.32Å; L273-F284 HydrophobicContact CD1-CE2 4.29Å; T280-F284 PolarHBondContact O-N 2.99Å; E282-F284 PolarHBondContact O-N 3.12Å; E282-F284 VanDerWaalsContact O-N 3.12Å; F284-E286 VanDerWaalsContact C-N 3.27Å; F284-E286 PolarHBondContact O-N 3.25Å; F284-L287 HydrophobicContact CD2-CD2 4.05Å; F284-L287 HydrophobicContact CE1-CD2 4.31Å; F284-L287 HydrophobicContact CE2-CD2 3.61Å; F284-L287 HydrophobicContact CZ-CD2 3.76Å; F284-L287 WeakPolarHBondContact O-CB 3.4Å; F284-L287 PolarHBondContact O-N 2.66Å; F284-L306 HydrophobicContact CE2-CD2 3.85Å; F284-L306 HydrophobicContact CZ-CD2 3.71Å; F284-A309 HydrophobicContact CE1-CB 3.93Å; F284-A309 HydrophobicContact CZ-CB 4.28Å; F284-A310 HydrophobicContact CD1-CB 4.27Å; F284-A310 HydrophobicContact CE1-CB 4.12Å; F284-A310 WeakPolarHBondContact O-CB 3.18Å; F284-L313 HydrophobicContact CD1-CD1 3.77Å; F284-L313 HydrophobicContact CE1-CD1 4.45Å |
| 285 | K | 92.4 | Very high | 93.1 | Very high | 21 Ų | 21 | 70 Ų | 70 | 9% | 0.091 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.5 | -32.2 | 173.4 | -70.1 | 169.7 | -154.6 | 171.2 | 0 | 111.8 | L281 E282 L287 L313 L314 D317 | L281-K285 WeakPolarHBondContact O-CG 3.34Å; L281-K285 PolarHBondContact O-N 2.65Å; E282-K285 WeakPolarHBondContact O-CB 3.37Å; E282-K285 PolarHBondContact O-N 3.4Å; E282-K285 WeakPolarHBondContact OE1-CD 3.45Å; E282-K285 IonicContact OE1-NZ 2.58Å; E282-K285 PolarHBondContact OE1-NZ 2.82Å; E282-K285 WeakPolarHBondContact OE2-CE 3.34Å; E282-K285 IonicContact OE2-NZ 3.55Å; E282-K285 PolarHBondContact OE2-NZ 3.17Å; K285-L287 PolarHBondContact O-N 2.86Å; K285-L313 HydrophobicContact CG-CB 3.81Å; K285-L313 HydrophobicContact CG-CD1 4.27Å; K285-L314 HydrophobicContact CB-CD2 4.03Å; K285-L314 HydrophobicContact CB-CG 4.42Å; K285-L314 HydrophobicContact CD-CD2 4.13Å; K285-L314 HydrophobicContact CG-CD2 4.25Å; K285-D317 VanDerWaalsContact CE-OD2 3.3Å; K285-D317 WeakPolarHBondContact CE-OD2 3.46Å; K285-D317 IonicContact NZ-OD2 3.93Å; K285-D317 PolarHBondContact NZ-OD2 2.96Å |
| 286 | E | 93.1 | Very high | 93 | Very high | 133 Ų | 133 | 68.7 Ų | 68.7 | 62% | 0.621 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -1.5 | 178.2 | -57.8 | -163.6 | 174.2 | 0 | 0 | 113.5 | D283 F284 R288 H291 | D283-E286 PolarHBondContact O-N 3.32Å; F284-E286 VanDerWaalsContact C-N 3.27Å; F284-E286 PolarHBondContact O-N 3.25Å; E286-R288 PolarHBondContact O-N 3.3Å; E286-H291 PolarHBondContact O-CE1 3.25Å; E286-H291 VanDerWaalsContact O-CE1 3.24Å; E286-H291 PolarHBondContact O-ND1 3.44Å |
| 287 | L | 93.8 | Very high | 93 | Very high | 6 Ų | 6 | 64.6 Ų | 64.6 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | trans | -62.1 | 105.7 | -177.7 | -173 | 68.2 | 0 | 0 | 0 | 111.5 | L273 Y278 F284 K285 H291 L292 L295 L306 L307 A310 | L273-L287 HydrophobicContact CD2-CD1 4.17Å; Y278-L287 HydrophobicContact CD1-CD1 4.46Å; Y278-L287 HydrophobicContact CE1-CB 4.27Å; Y278-L287 HydrophobicContact CE1-CD1 3.71Å; Y278-L287 HydrophobicContact CE2-CD1 4.49Å; F284-L287 HydrophobicContact CD2-CD2 4.05Å; F284-L287 HydrophobicContact CE1-CD2 4.31Å; F284-L287 HydrophobicContact CE2-CD2 3.61Å; F284-L287 HydrophobicContact CZ-CD2 3.76Å; F284-L287 WeakPolarHBondContact O-CB 3.4Å; F284-L287 PolarHBondContact O-N 2.66Å; K285-L287 PolarHBondContact O-N 2.86Å; L287-H291 HydrophobicContact CD1-CB 4.05Å; L287-L292 HydrophobicContact CD1-CD2 4.04Å; L287-L292 HydrophobicContact CD1-CG 4.31Å; L287-L292 HydrophobicContact CD2-CD2 4.11Å; L287-L292 HydrophobicContact CG-CD2 4.22Å; L287-L292 HydrophobicContact CG-CG 4.37Å; L287-L295 HydrophobicContact CD1-CD1 4.23Å; L287-L306 HydrophobicContact CD2-CB 3.92Å; L287-L307 WeakPolarHBondContact O-CD2 3.42Å; L287-A310 HydrophobicContact CB-CB 4.43Å | ||
| 288 | R | 93.6 | Very high | 93.1 | Very high | 138 Ų | 138 | 67.6 Ų | 67.6 | 52% | 0.521 | 33% | 0.33 | S | S | . | . | trans | -102.5 | 164.7 | 178.6 | -79.3 | -179.7 | -80.8 | 101.1 | -2.1 | 112.2 | E286 T290 H291 L292 | E286-R288 PolarHBondContact O-N 3.3Å; R288-T290 PolarHBondContact NH1-OG1 3.09Å; R288-T290 PolarHBondContact O-N 2.65Å; R288-T290 VanDerWaalsContact O-N 3.15Å; R288-H291 VanDerWaalsContact CZ-CE1 3.49Å; R288-H291 PolarHBondContact N-ND1 2.92Å; R288-H291 PolarHBondContact NH1-NE2 3.48Å; R288-H291 VanDerWaalsContact NH1-NE2 3.14Å; R288-H291 PolarHBondContact NH2-CE1 3.24Å; R288-H291 VanDerWaalsContact NH2-CE1 3.31Å; R288-H291 PolarHBondContact NH2-NE2 3.46Å; R288-H291 PolarHBondContact O-N 2.93Å; R288-L292 PolarHBondContact O-N 3.02Å | ||
| 289 | E | 94.1 | Very high | 93.1 | Very high | 112 Ų | 112 | 69.4 Ų | 69.4 | 52% | 0.523 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -57.9 | -28.6 | 177.2 | -171.4 | 174.8 | 178.4 | 0 | 0 | 113 | N293 R303 L307 | E289-N293 PolarHBondContact O-N 2.87Å; E289-R303 VanDerWaalsContact CD-NH2 3.35Å; E289-R303 IonicContact OE1-CZ 3.74Å; E289-R303 IonicContact OE1-NH1 2.77Å; E289-R303 IonicContact OE1-NH2 2.63Å; E289-R303 PolarHBondContact OE1-NH2 3.12Å; E289-L307 HydrophobicContact CB-CD1 4.2Å; E289-L307 HydrophobicContact CG-CD1 4.49Å |
| 290 | T | 94.3 | Very high | 93.3 | Very high | 71 Ų | 71 | 66.6 Ų | 66.6 | 44% | 0.436 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.6 | -46.3 | 172.9 | 51.2 | 0 | 0 | 0 | 0 | 112.3 | R288 L292 N293 E294 | R288-T290 PolarHBondContact NH1-OG1 3.09Å; R288-T290 PolarHBondContact O-N 2.65Å; R288-T290 VanDerWaalsContact O-N 3.15Å; T290-L292 VanDerWaalsContact C-N 3.31Å; T290-L292 PolarHBondContact O-N 3.5Å; T290-N293 VanDerWaalsContact O-CB 3.28Å; T290-N293 WeakPolarHBondContact O-CB 3.28Å; T290-N293 PolarHBondContact O-N 3.42Å; T290-E294 PolarHBondContact O-N 2.98Å; T290-E294 VanDerWaalsContact O-N 3.12Å |
| 291 | H | 94.5 | Very high | 93.4 | Very high | 25 Ų | 25 | 69.7 Ų | 69.7 | 12% | 0.116 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65 | -39.2 | -179.6 | -51.4 | 162 | 0 | 0 | 0 | 110.4 | Y278 E286 L287 R288 N293 E294 L295 | Y278-H291 VanDerWaalsContact OH-CB 3.25Å; Y278-H291 WeakPolarHBondContact OH-CB 3.5Å; Y278-H291 PolarHBondContact OH-ND1 3.48Å; E286-H291 PolarHBondContact O-CE1 3.25Å; E286-H291 VanDerWaalsContact O-CE1 3.24Å; E286-H291 PolarHBondContact O-ND1 3.44Å; L287-H291 HydrophobicContact CD1-CB 4.05Å; R288-H291 VanDerWaalsContact CZ-CE1 3.49Å; R288-H291 PolarHBondContact N-ND1 2.92Å; R288-H291 PolarHBondContact NH1-NE2 3.48Å; R288-H291 VanDerWaalsContact NH1-NE2 3.14Å; R288-H291 PolarHBondContact NH2-CE1 3.24Å; R288-H291 VanDerWaalsContact NH2-CE1 3.31Å; R288-H291 PolarHBondContact NH2-NE2 3.46Å; R288-H291 PolarHBondContact O-N 2.93Å; H291-N293 PolarHBondContact O-N 2.8Å; H291-E294 IonicContact CD2-OE2 3.52Å; H291-E294 PolarHBondContact O-N 3.2Å; H291-E294 VanDerWaalsContact O-N 3.11Å; H291-L295 WeakPolarHBondContact O-CB 3.44Å; H291-L295 WeakPolarHBondContact O-CG 3.23Å; H291-L295 PolarHBondContact O-N 2.73Å |
| 292 | L | 94.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.2 | -29.4 | 174.9 | -65.6 | 172.8 | 0 | 0 | 0 | 113.4 | L287 R288 T290 L295 N296 I297 R303 L306 L307 | L287-L292 HydrophobicContact CD1-CD2 4.04Å; L287-L292 HydrophobicContact CD1-CG 4.31Å; L287-L292 HydrophobicContact CD2-CD2 4.11Å; L287-L292 HydrophobicContact CG-CD2 4.22Å; L287-L292 HydrophobicContact CG-CG 4.37Å; R288-L292 PolarHBondContact O-N 3.02Å; T290-L292 VanDerWaalsContact C-N 3.31Å; T290-L292 PolarHBondContact O-N 3.5Å; L292-L295 HydrophobicContact CD2-CD1 4.47Å; L292-N296 PolarHBondContact O-N 3.17Å; L292-I297 HydrophobicContact CD2-CB 4.34Å; L292-I297 HydrophobicContact CD2-CD1 4.03Å; L292-I297 WeakPolarHBondContact O-CA 3.37Å; L292-I297 PolarHBondContact O-N 2.89Å; L292-R303 HydrophobicContact CB-CG 4.29Å; L292-R303 HydrophobicContact CD1-CB 4.06Å; L292-R303 HydrophobicContact CD1-CG 4.11Å; L292-L306 HydrophobicContact CD1-CB 4.37Å; L292-L306 HydrophobicContact CD2-CB 4.21Å; L292-L306 HydrophobicContact CD2-CD1 3.5Å; L292-L306 VanDerWaalsContact CD2-CD1 3.5Å; L292-L306 HydrophobicContact CD2-CG 4.47Å; L292-L307 HydrophobicContact CD1-CD1 4.11Å; L292-L307 HydrophobicContact CD1-CD2 3.79Å; L292-L307 HydrophobicContact CD1-CG 3.66Å |
| 293 | N | 93.9 | Very high | 93.7 | Very high | 89 Ų | 89 | 67.7 Ų | 67.7 | 48% | 0.476 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -72.7 | -42.3 | 173.4 | -171.8 | 65.4 | 0 | 0 | 0 | 111.5 | E289 T290 H291 N296 M298 | E289-N293 PolarHBondContact O-N 2.87Å; T290-N293 VanDerWaalsContact O-CB 3.28Å; T290-N293 WeakPolarHBondContact O-CB 3.28Å; T290-N293 PolarHBondContact O-N 3.42Å; H291-N293 PolarHBondContact O-N 2.8Å; N293-N296 PolarHBondContact O-N 2.77Å; N293-N296 VanDerWaalsContact O-N 3.08Å; N293-M298 WeakPolarHBondContact OD1-CE 3.3Å |
| 294 | E | 93.4 | Very high | 93.8 | Very high | 142 Ų | 142 | 67.2 Ų | 67.2 | 66% | 0.664 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -64.9 | -37.7 | 175.3 | -68.3 | 152.3 | -157.6 | 0 | 0 | 112.2 | T290 H291 N296 | T290-E294 PolarHBondContact O-N 2.98Å; T290-E294 VanDerWaalsContact O-N 3.12Å; H291-E294 IonicContact CD2-OE2 3.52Å; H291-E294 PolarHBondContact O-N 3.2Å; H291-E294 VanDerWaalsContact O-N 3.11Å; E294-N296 PolarHBondContact O-N 3.24Å |
| 295 | L | 92.1 | Very high | 93.9 | Very high | 14 Ų | 14 | 71 Ų | 71 | 7% | 0.073 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -0.1 | 172.6 | -62.2 | 170.7 | 0 | 0 | 0 | 113.4 | T272 L273 N276 Y278 L287 H291 L292 I297 | T272-L295 HydrophobicContact CG2-CB 4.24Å; T272-L295 HydrophobicContact CG2-CD2 4.23Å; L273-L295 HydrophobicContact CD2-CD1 3.56Å; L273-L295 HydrophobicContact CG-CD1 4.3Å; N276-L295 HydrophobicContact CB-CD2 3.38Å; N276-L295 VanDerWaalsContact ND2-CD2 3.34Å; N276-L295 WeakPolarHBondContact ND2-CD2 3.38Å; Y278-L295 HydrophobicContact CE2-CD1 4.21Å; L287-L295 HydrophobicContact CD1-CD1 4.23Å; H291-L295 WeakPolarHBondContact O-CB 3.44Å; H291-L295 WeakPolarHBondContact O-CG 3.23Å; H291-L295 PolarHBondContact O-N 2.73Å; L292-L295 HydrophobicContact CD2-CD1 4.47Å; L295-I297 HydrophobicContact CB-CD1 3.98Å; L295-I297 HydrophobicContact CB-CG1 3.87Å; L295-I297 HydrophobicContact CD1-CD1 4.18Å; L295-I297 PolarHBondContact O-N 2.78Å; L295-I297 VanDerWaalsContact O-N 3.14Å |
| 296 | N | 91.9 | Very high | 94 | Very high | 129 Ų | 129 | 70 Ų | 70 | 69% | 0.69 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 22.2 | -175.4 | -159.7 | 64.9 | 0 | 0 | 0 | 114.4 | L292 N293 E294 M298 | L292-N296 PolarHBondContact O-N 3.17Å; N293-N296 PolarHBondContact O-N 2.77Å; N293-N296 VanDerWaalsContact O-N 3.08Å; E294-N296 PolarHBondContact O-N 3.24Å; N296-M298 VanDerWaalsContact C-N 3.26Å; N296-M298 PolarHBondContact O-N 2.88Å |
| 297 | I | 92.9 | Very high | 94.1 | Very high | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.026 | 33% | 0.332 | C | S | . | . | trans | -82.6 | 75.8 | 174.8 | -52.7 | 177.9 | 0 | 0 | 0 | 107.6 | H269 L292 L295 H302 R303 L306 | H269-I297 HydrophobicContact CB-CD1 4.01Å; L292-I297 HydrophobicContact CD2-CB 4.34Å; L292-I297 HydrophobicContact CD2-CD1 4.03Å; L292-I297 WeakPolarHBondContact O-CA 3.37Å; L292-I297 PolarHBondContact O-N 2.89Å; L295-I297 HydrophobicContact CB-CD1 3.98Å; L295-I297 HydrophobicContact CB-CG1 3.87Å; L295-I297 HydrophobicContact CD1-CD1 4.18Å; L295-I297 PolarHBondContact O-N 2.78Å; L295-I297 VanDerWaalsContact O-N 3.14Å; I297-H302 HydrophobicContact CG2-CB 3.95Å; I297-R303 HydrophobicContact CG2-CG 4.44Å; I297-R303 WeakPolarHBondContact O-CD 3.43Å; I297-R303 WeakPolarHBondContact O-CG 3.43Å; I297-L306 HydrophobicContact CD1-CD1 4Å; I297-L306 HydrophobicContact CG2-CD1 4.13Å | ||
| 298 | M | 91.6 | Very high | 94.1 | Very high | 99 Ų | 99 | 68.9 Ų | 68.9 | 49% | 0.488 | 35% | 0.35 | S | S | . | . | trans | -80.8 | -18.1 | -174.7 | -67.3 | -106.4 | 73.8 | 0 | 0 | 113.9 | N293 N296 R303 | N293-M298 WeakPolarHBondContact OD1-CE 3.3Å; N296-M298 VanDerWaalsContact C-N 3.26Å; N296-M298 PolarHBondContact O-N 2.88Å; M298-R303 WeakPolarHBondContact O-CD 3.36Å | ||
| 299 | D | 95.3 | Very high | 94.1 | Very high | 66 Ų | 66 | 62.6 Ų | 62.6 | 35% | 0.353 | 33% | 0.328 | S | S | . | . | trans | -65.4 | 126.8 | -175.3 | 176.7 | 77.7 | 0 | 0 | 0 | 112.5 | Q301 H302 R303 | D299-Q301 VanDerWaalsContact C-N 3.34Å; D299-Q301 PolarHBondContact O-N 2.79Å; D299-Q301 VanDerWaalsContact OD2-CA 3.29Å; D299-Q301 WeakPolarHBondContact OD2-CA 3.33Å; D299-Q301 VanDerWaalsContact OD2-CB 3.24Å; D299-Q301 WeakPolarHBondContact OD2-CB 3.45Å; D299-Q301 PolarHBondContact OD2-N 3.07Å; D299-H302 HydrophobicContact CB-CB 4.12Å; D299-H302 PolarHBondContact O-N 2.8Å; D299-H302 IonicContact OD2-CD2 3.26Å; D299-H302 PolarHBondContact OD2-CD2 3.11Å; D299-H302 VanDerWaalsContact OD2-CD2 3.25Å; D299-H302 IonicContact OD2-CG 2.76Å; D299-H302 PolarHBondContact OD2-N 3.14Å; D299-H302 IonicContact OD2-NE2 3.44Å; D299-R303 WeakPolarHBondContact O-CB 3.39Å; D299-R303 WeakPolarHBondContact O-CD 3.27Å; D299-R303 WeakPolarHBondContact O-CG 3.02Å; D299-R303 PolarHBondContact O-N 3.45Å | ||
| 300 | P | 94.1 | Very high | 94.1 | Very high | 88 Ų | 88 | 57.5 Ų | 57.5 | 57% | 0.571 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -68.1 | -26.1 | -175.8 | 26.7 | -35.9 | 0 | 0 | 0 | 114.4 | A304 | P300-A304 WeakPolarHBondContact O-CB 3.24Å; P300-A304 PolarHBondContact O-N 2.85Å; P300-A304 VanDerWaalsContact O-N 3.13Å |
| 301 | Q | 94.8 | Very high | 94 | Very high | 133 Ų | 133 | 58.2 Ų | 58.2 | 62% | 0.621 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -72.8 | -43.7 | 174.2 | -62.2 | -68.6 | -86.7 | 0 | 0 | 110.5 | D299 A304 K305 | D299-Q301 VanDerWaalsContact C-N 3.34Å; D299-Q301 PolarHBondContact O-N 2.79Å; D299-Q301 VanDerWaalsContact OD2-CA 3.29Å; D299-Q301 WeakPolarHBondContact OD2-CA 3.33Å; D299-Q301 VanDerWaalsContact OD2-CB 3.24Å; D299-Q301 WeakPolarHBondContact OD2-CB 3.45Å; D299-Q301 PolarHBondContact OD2-N 3.07Å; Q301-A304 PolarHBondContact O-N 3.24Å; Q301-K305 WeakPolarHBondContact O-CB 3.31Å; Q301-K305 WeakPolarHBondContact O-CG 3.43Å; Q301-K305 PolarHBondContact O-N 3.03Å |
| 302 | H | 95 | Very high | 93.8 | Very high | 44 Ų | 44 | 61.3 Ų | 61.3 | 20% | 0.204 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.5 | -44.5 | -178.7 | -61.3 | -174.4 | 0 | 0 | 0 | 110.2 | L266 E268 H269 I297 D299 A304 K305 L306 | L266-H302 HydrophobicContact CD1-CB 4.29Å; L266-H302 HydrophobicContact CD2-CB 3.93Å; L266-H302 WeakPolarHBondContact CD2-CD2 3.17Å; L266-H302 VanDerWaalsContact CD2-CG 3.46Å; E268-H302 IonicContact OE1-CE1 2.74Å; E268-H302 PolarHBondContact OE1-CE1 3.46Å; E268-H302 IonicContact OE1-ND1 3.51Å; E268-H302 PolarHBondContact OE1-ND1 2.8Å; H269-H302 AromaticContact CD2-ND1 3.99Å; H269-H302 AromaticContact NE2-CE1 3.87Å; H269-H302 AromaticContact NE2-ND1 3.17Å; H269-H302 PolarHBondContact NE2-ND1 2.79Å; H269-H302 VanDerWaalsContact NE2-ND1 3.17Å; I297-H302 HydrophobicContact CG2-CB 3.95Å; D299-H302 HydrophobicContact CB-CB 4.12Å; D299-H302 PolarHBondContact O-N 2.8Å; D299-H302 IonicContact OD2-CD2 3.26Å; D299-H302 PolarHBondContact OD2-CD2 3.11Å; D299-H302 VanDerWaalsContact OD2-CD2 3.25Å; D299-H302 IonicContact OD2-CG 2.76Å; D299-H302 PolarHBondContact OD2-N 3.14Å; D299-H302 IonicContact OD2-NE2 3.44Å; H302-A304 PolarHBondContact O-N 3.05Å; H302-K305 PolarHBondContact O-N 3.05Å; H302-L306 WeakPolarHBondContact O-CB 3.17Å; H302-L306 VanDerWaalsContact O-CG 3.28Å; H302-L306 WeakPolarHBondContact O-CG 3.28Å; H302-L306 PolarHBondContact O-N 3.15Å |
| 303 | R | 95.3 | Very high | 93.6 | Very high | 48 Ų | 48 | 61.5 Ų | 61.5 | 18% | 0.181 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.3 | -47 | 173.9 | -65.4 | 167.8 | 89.8 | -144.1 | -2.3 | 112 | E289 L292 I297 M298 D299 K305 L306 L307 | E289-R303 VanDerWaalsContact CD-NH2 3.35Å; E289-R303 IonicContact OE1-CZ 3.74Å; E289-R303 IonicContact OE1-NH1 2.77Å; E289-R303 IonicContact OE1-NH2 2.63Å; E289-R303 PolarHBondContact OE1-NH2 3.12Å; L292-R303 HydrophobicContact CB-CG 4.29Å; L292-R303 HydrophobicContact CD1-CB 4.06Å; L292-R303 HydrophobicContact CD1-CG 4.11Å; I297-R303 HydrophobicContact CG2-CG 4.44Å; I297-R303 WeakPolarHBondContact O-CD 3.43Å; I297-R303 WeakPolarHBondContact O-CG 3.43Å; M298-R303 WeakPolarHBondContact O-CD 3.36Å; D299-R303 WeakPolarHBondContact O-CB 3.39Å; D299-R303 WeakPolarHBondContact O-CD 3.27Å; D299-R303 WeakPolarHBondContact O-CG 3.02Å; D299-R303 PolarHBondContact O-N 3.45Å; R303-K305 PolarHBondContact O-N 3.4Å; R303-L306 PolarHBondContact O-N 3.35Å; R303-L307 WeakPolarHBondContact O-CB 3.5Å; R303-L307 VanDerWaalsContact O-CG 3.26Å; R303-L307 WeakPolarHBondContact O-CG 3.26Å; R303-L307 PolarHBondContact O-N 3.2Å |
| 304 | A | 94.9 | Very high | 93.3 | Very high | 48 Ų | 48 | 61.3 Ų | 61.3 | 40% | 0.397 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P300 Q301 H302 T308 | P300-A304 WeakPolarHBondContact O-CB 3.24Å; P300-A304 PolarHBondContact O-N 2.85Å; P300-A304 VanDerWaalsContact O-N 3.13Å; Q301-A304 PolarHBondContact O-N 3.24Å; H302-A304 PolarHBondContact O-N 3.05Å; A304-T308 VanDerWaalsContact O-CB 3.23Å; A304-T308 WeakPolarHBondContact O-CB 3.5Å; A304-T308 PolarHBondContact O-N 3.45Å; A304-T308 PolarHBondContact O-OG1 3.14Å |
| 305 | K | 95.5 | Very high | 92.9 | Very high | 81 Ų | 81 | 58.9 Ų | 58.9 | 35% | 0.352 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60 | -49.9 | 175.1 | -78.4 | 175.4 | 174.1 | -167.7 | 0 | 112 | I264 G265 L266 Q301 H302 R303 T308 A309 | I264-K305 WeakPolarHBondContact O-CD 3.48Å; I264-K305 WeakPolarHBondContact O-CE 3.47Å; I264-K305 PolarHBondContact O-NZ 3.21Å; G265-K305 PolarHBondContact O-NZ 3Å; L266-K305 HydrophobicContact CD1-CB 3.72Å; L266-K305 HydrophobicContact CD1-CD 3.82Å; L266-K305 HydrophobicContact CD1-CG 4.48Å; L266-K305 HydrophobicContact CD2-CD 4.04Å; L266-K305 HydrophobicContact CG-CD 3.88Å; Q301-K305 WeakPolarHBondContact O-CB 3.31Å; Q301-K305 WeakPolarHBondContact O-CG 3.43Å; Q301-K305 PolarHBondContact O-N 3.03Å; H302-K305 PolarHBondContact O-N 3.05Å; R303-K305 PolarHBondContact O-N 3.4Å; K305-T308 PolarHBondContact O-N 3.08Å; K305-A309 VanDerWaalsContact O-CB 3.3Å; K305-A309 WeakPolarHBondContact O-CB 3.09Å; K305-A309 PolarHBondContact O-N 2.89Å |
| 306 | L | 95.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.4 | -47.1 | -177.4 | -69.8 | 167.6 | 0 | 0 | 0 | 111.8 | I264 L266 L273 F284 L287 L292 I297 H302 R303 T308 A309 A310 | I264-L306 HydrophobicContact CD1-CD2 3.95Å; L266-L306 HydrophobicContact CD1-CD1 4.17Å; L266-L306 HydrophobicContact CD1-CD2 3.79Å; L266-L306 HydrophobicContact CD1-CG 3.59Å; L273-L306 HydrophobicContact CD1-CD2 4.46Å; F284-L306 HydrophobicContact CE2-CD2 3.85Å; F284-L306 HydrophobicContact CZ-CD2 3.71Å; L287-L306 HydrophobicContact CD2-CB 3.92Å; L292-L306 HydrophobicContact CD1-CB 4.37Å; L292-L306 HydrophobicContact CD2-CB 4.21Å; L292-L306 HydrophobicContact CD2-CD1 3.5Å; L292-L306 VanDerWaalsContact CD2-CD1 3.5Å; L292-L306 HydrophobicContact CD2-CG 4.47Å; I297-L306 HydrophobicContact CD1-CD1 4Å; I297-L306 HydrophobicContact CG2-CD1 4.13Å; H302-L306 WeakPolarHBondContact O-CB 3.17Å; H302-L306 VanDerWaalsContact O-CG 3.28Å; H302-L306 WeakPolarHBondContact O-CG 3.28Å; H302-L306 PolarHBondContact O-N 3.15Å; R303-L306 PolarHBondContact O-N 3.35Å; L306-T308 PolarHBondContact O-N 3.21Å; L306-A309 WeakPolarHBondContact O-CB 3.47Å; L306-A309 PolarHBondContact O-N 2.99Å; L306-A310 PolarHBondContact O-N 2.94Å |
| 307 | L | 94.7 | Very high | 91.4 | Very high | 49 Ų | 49 | 58.8 Ų | 58.8 | 26% | 0.257 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 177 | -65.4 | 171.5 | 0 | 0 | 0 | 112 | L287 E289 L292 R303 A309 A310 E311 | L287-L307 WeakPolarHBondContact O-CD2 3.42Å; E289-L307 HydrophobicContact CB-CD1 4.2Å; E289-L307 HydrophobicContact CG-CD1 4.49Å; L292-L307 HydrophobicContact CD1-CD1 4.11Å; L292-L307 HydrophobicContact CD1-CD2 3.79Å; L292-L307 HydrophobicContact CD1-CG 3.66Å; R303-L307 WeakPolarHBondContact O-CB 3.5Å; R303-L307 VanDerWaalsContact O-CG 3.26Å; R303-L307 WeakPolarHBondContact O-CG 3.26Å; R303-L307 PolarHBondContact O-N 3.2Å; L307-A309 VanDerWaalsContact C-N 3.32Å; L307-A309 PolarHBondContact O-N 3.3Å; L307-A310 PolarHBondContact O-N 3.13Å; L307-E311 WeakPolarHBondContact O-CB 3.01Å; L307-E311 PolarHBondContact O-N 2.81Å |
| 308 | T | 94.8 | Very high | 90.1 | Very high | 65 Ų | 65 | 63 Ų | 63 | 40% | 0.399 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.3 | -36.2 | 175.6 | -54.8 | 0 | 0 | 0 | 0 | 111.4 | A304 K305 L306 L312 | A304-T308 VanDerWaalsContact O-CB 3.23Å; A304-T308 WeakPolarHBondContact O-CB 3.5Å; A304-T308 PolarHBondContact O-N 3.45Å; A304-T308 PolarHBondContact O-OG1 3.14Å; K305-T308 PolarHBondContact O-N 3.08Å; L306-T308 PolarHBondContact O-N 3.21Å; T308-L312 HydrophobicContact CG2-CD1 4.21Å; T308-L312 WeakPolarHBondContact O-CB 3.44Å; T308-L312 VanDerWaalsContact O-CG 3.24Å; T308-L312 WeakPolarHBondContact O-CG 3.24Å; T308-L312 PolarHBondContact O-N 2.77Å |
| 309 | A | 93.9 | Very high | 88.3 | Confident | 7 Ų | 7 | 59.7 Ų | 59.7 | 6% | 0.058 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L260 I264 F284 K305 L306 L307 L312 L313 | L260-A309 HydrophobicContact CD1-CB 4.12Å; L260-A309 HydrophobicContact CD2-CB 4.35Å; I264-A309 HydrophobicContact CD1-CB 4.26Å; I264-A309 HydrophobicContact CG2-CB 4.49Å; F284-A309 HydrophobicContact CE1-CB 3.93Å; F284-A309 HydrophobicContact CZ-CB 4.28Å; K305-A309 VanDerWaalsContact O-CB 3.3Å; K305-A309 WeakPolarHBondContact O-CB 3.09Å; K305-A309 PolarHBondContact O-N 2.89Å; L306-A309 WeakPolarHBondContact O-CB 3.47Å; L306-A309 PolarHBondContact O-N 2.99Å; L307-A309 VanDerWaalsContact C-N 3.32Å; L307-A309 PolarHBondContact O-N 3.3Å; A309-L312 PolarHBondContact O-N 3.36Å; A309-L313 WeakPolarHBondContact O-CG 3.29Å; A309-L313 PolarHBondContact O-N 2.9Å; A309-L313 VanDerWaalsContact O-N 3.13Å |
| 310 | A | 93.8 | Very high | 86.2 | Confident | 4 Ų | 4 | 59.4 Ų | 59.4 | 3% | 0.033 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F284 L287 L306 L307 L312 L313 L314 | F284-A310 HydrophobicContact CD1-CB 4.27Å; F284-A310 HydrophobicContact CE1-CB 4.12Å; F284-A310 WeakPolarHBondContact O-CB 3.18Å; L287-A310 HydrophobicContact CB-CB 4.43Å; L306-A310 PolarHBondContact O-N 2.94Å; L307-A310 PolarHBondContact O-N 3.13Å; A310-L312 VanDerWaalsContact C-N 3.32Å; A310-L312 PolarHBondContact O-N 3.41Å; A310-L313 PolarHBondContact O-N 3.5Å; A310-L313 VanDerWaalsContact O-N 3.11Å; A310-L314 PolarHBondContact O-N 2.96Å |
| 311 | E | 92.1 | Very high | 84 | Confident | 86 Ų | 86 | 61.9 Ų | 61.9 | 40% | 0.402 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.2 | -42.9 | 174.9 | -170 | -176.7 | 154.5 | 0 | 0 | 111.9 | R244 L307 L313 L314 D315 | R244-E311 IonicContact CZ-OE1 3.86Å; R244-E311 IonicContact CZ-OE2 3.25Å; R244-E311 IonicContact NH2-OE1 3.41Å; R244-E311 PolarHBondContact NH2-OE1 2.79Å; R244-E311 IonicContact NH2-OE2 3.38Å; R244-E311 PolarHBondContact NH2-OE2 2.81Å; L307-E311 WeakPolarHBondContact O-CB 3.01Å; L307-E311 PolarHBondContact O-N 2.81Å; E311-L313 VanDerWaalsContact C-N 3.32Å; E311-L313 PolarHBondContact O-N 3.47Å; E311-L314 PolarHBondContact O-N 2.74Å; E311-D315 PolarHBondContact O-N 3.36Å |
| 312 | L | 91 | Very high | 81.7 | Confident | 91 Ų | 91 | 64.1 Ų | 64.1 | 48% | 0.476 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.7 | -30.4 | 176.5 | -74.6 | 170.7 | 0 | 0 | 0 | 113.4 | T308 A309 A310 Y316 | T308-L312 HydrophobicContact CG2-CD1 4.21Å; T308-L312 WeakPolarHBondContact O-CB 3.44Å; T308-L312 VanDerWaalsContact O-CG 3.24Å; T308-L312 WeakPolarHBondContact O-CG 3.24Å; T308-L312 PolarHBondContact O-N 2.77Å; A309-L312 PolarHBondContact O-N 3.36Å; A310-L312 VanDerWaalsContact C-N 3.32Å; A310-L312 PolarHBondContact O-N 3.41Å; L312-Y316 WeakPolarHBondContact O-CD2 3.21Å |
| 313 | L | 89.6 | Confident | 79.5 | Confident | 3 Ų | 3 | 65.5 Ų | 65.5 | 2% | 0.016 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -69.4 | -37.3 | 175.3 | -74.4 | 172.5 | 0 | 0 | 0 | 112.1 | K253 P254 L260 L281 F284 K285 A309 A310 E311 Y316 | K253-L313 HydrophobicContact CG-CD2 4.45Å; P254-L313 HydrophobicContact CG-CD2 4.35Å; L260-L313 HydrophobicContact CD2-CD1 3.89Å; L281-L313 HydrophobicContact CB-CD1 4.5Å; L281-L313 HydrophobicContact CD2-CD1 4.12Å; F284-L313 HydrophobicContact CD1-CD1 3.77Å; F284-L313 HydrophobicContact CE1-CD1 4.45Å; K285-L313 HydrophobicContact CG-CB 3.81Å; K285-L313 HydrophobicContact CG-CD1 4.27Å; A309-L313 WeakPolarHBondContact O-CG 3.29Å; A309-L313 PolarHBondContact O-N 2.9Å; A309-L313 VanDerWaalsContact O-N 3.13Å; A310-L313 PolarHBondContact O-N 3.5Å; A310-L313 VanDerWaalsContact O-N 3.11Å; E311-L313 VanDerWaalsContact C-N 3.32Å; E311-L313 PolarHBondContact O-N 3.47Å; L313-Y316 PolarHBondContact O-N 3.4Å |
| 314 | L | 87.6 | Confident | 77.2 | Confident | 85 Ų | 85 | 69.8 Ų | 69.8 | 45% | 0.445 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 174.7 | -65.9 | 168.3 | 0 | 0 | 0 | 111.3 | K285 A310 E311 Y316 D317 T318 | K285-L314 HydrophobicContact CB-CD2 4.03Å; K285-L314 HydrophobicContact CB-CG 4.42Å; K285-L314 HydrophobicContact CD-CD2 4.13Å; K285-L314 HydrophobicContact CG-CD2 4.25Å; A310-L314 PolarHBondContact O-N 2.96Å; E311-L314 PolarHBondContact O-N 2.74Å; L314-Y316 PolarHBondContact O-N 2.9Å; L314-Y316 VanDerWaalsContact O-N 3.14Å; L314-D317 PolarHBondContact O-N 3.49Å; L314-D317 VanDerWaalsContact O-N 3.09Å; L314-T318 PolarHBondContact O-N 3.44Å |
| 315 | D | 84.4 | Confident | 74.7 | Confident | 92 Ų | 92 | 77.3 Ų | 77.3 | 49% | 0.492 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -58.1 | -24.8 | 176.2 | -90 | -3.5 | 0 | 0 | 0 | 113.7 | E311 G319 | E311-D315 PolarHBondContact O-N 3.36Å; D315-G319 PolarHBondContact O-N 3.44Å |
| 316 | Y | 81.4 | Confident | 72.1 | Confident | 87 Ų | 87 | 77 Ų | 77 | 34% | 0.341 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -78 | -30.7 | 176.3 | -79.7 | -72 | 0 | 0 | 0 | 113.4 | R251 K253 L312 L313 L314 S320 | R251-Y316 PolarHBondContact O-OH 3.12Å; R251-Y316 VanDerWaalsContact O-OH 3.08Å; K253-Y316 HydrophobicContact CD-CG 4.41Å; K253-Y316 HydrophobicContact CG-CD2 4.38Å; K253-Y316 HydrophobicContact CG-CG 4.35Å; L312-Y316 WeakPolarHBondContact O-CD2 3.21Å; L313-Y316 PolarHBondContact O-N 3.4Å; L314-Y316 PolarHBondContact O-N 2.9Å; L314-Y316 VanDerWaalsContact O-N 3.14Å; Y316-S320 WeakPolarHBondContact O-CB 3.12Å; Y316-S320 PolarHBondContact O-N 3.39Å |
| 317 | D | 71.1 | Confident | 69.4 | Low | 54 Ų | 54 | 80.8 Ų | 80.8 | 29% | 0.289 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -77.1 | -51.5 | 179.7 | -63.9 | -23.6 | 0 | 0 | 0 | 109.6 | K253 K285 L314 G319 S320 E321 | K253-D317 IonicContact NZ-OD1 3.74Å; K253-D317 PolarHBondContact NZ-OD1 3.43Å; K285-D317 VanDerWaalsContact CE-OD2 3.3Å; K285-D317 WeakPolarHBondContact CE-OD2 3.46Å; K285-D317 IonicContact NZ-OD2 3.93Å; K285-D317 PolarHBondContact NZ-OD2 2.96Å; L314-D317 PolarHBondContact O-N 3.49Å; L314-D317 VanDerWaalsContact O-N 3.09Å; D317-G319 PolarHBondContact O-N 3.41Å; D317-G319 VanDerWaalsContact O-N 3.13Å; D317-S320 PolarHBondContact O-N 3.02Å; D317-E321 PolarHBondContact O-N 3.09Å |
| 318 | T | 66.6 | Low | 66.7 | Low | 94 Ų | 94 | 88.2 Ų | 88.2 | 58% | 0.577 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -19.2 | 175.8 | -49.8 | 0 | 0 | 0 | 0 | 113.5 | L314 E321 | L314-T318 PolarHBondContact O-N 3.44Å; T318-E321 WeakPolarHBondContact CA-OE1 3.15Å |
| 319 | G | 54.1 | Low | 63.7 | Low | 28 Ų | 28 | 90.5 Ų | 90.5 | 29% | 0.289 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -8.1 | 173 | 0 | 0 | 0 | 0 | 0 | 115.3 | D315 D317 | D315-G319 PolarHBondContact O-N 3.44Å; D317-G319 PolarHBondContact O-N 3.41Å; D317-G319 VanDerWaalsContact O-N 3.13Å |
| 320 | S | 51.1 | Low | 61.2 | Low | 60 Ų | 60 | 95.2 Ų | 95.2 | 42% | 0.42 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -28.5 | -177.2 | -165.6 | 0 | 0 | 0 | 0 | 112.8 | Y316 D317 E322 A323 | Y316-S320 WeakPolarHBondContact O-CB 3.12Å; Y316-S320 PolarHBondContact O-N 3.39Å; D317-S320 PolarHBondContact O-N 3.02Å; S320-E322 VanDerWaalsContact C-N 3.27Å; S320-E322 PolarHBondContact O-N 3.19Å; S320-A323 PolarHBondContact O-N 3.44Å; S320-A323 VanDerWaalsContact O-N 3.16Å |
| 321 | E | 46.7 | Very low | 58.4 | Low | 141 Ų | 141 | 104.3 Ų | 104.3 | 66% | 0.659 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -20.3 | -178.4 | 51.2 | -174 | 117.9 | 0 | 0 | 113.9 | D317 T318 A323 | D317-E321 PolarHBondContact O-N 3.09Å; T318-E321 WeakPolarHBondContact CA-OE1 3.15Å; E321-A323 VanDerWaalsContact C-N 3.33Å |
| 322 | E | 46.4 | Very low | 55.5 | Low | 179 Ų | 179 | 109.2 Ų | 109.2 | 84% | 0.836 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -2.1 | 172.7 | -62.9 | -175.1 | 158.4 | 0 | 0 | 114.1 | S320 | S320-E322 VanDerWaalsContact C-N 3.27Å; S320-E322 PolarHBondContact O-N 3.19Å |
| 323 | A | 48.7 | Very low | 53.4 | Low | 74 Ų | 74 | 110 Ų | 110 | 61% | 0.612 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.9 | -8.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | S320 E321 | S320-A323 PolarHBondContact O-N 3.44Å; S320-A323 VanDerWaalsContact O-N 3.16Å; E321-A323 VanDerWaalsContact C-N 3.33Å |
| 324 | E | 47.5 | Very low | 50.7 | Low | 138 Ų | 138 | 116.3 Ų | 116.3 | 65% | 0.645 | 66% | 0.657 | S | S | * | * | trans | -117.7 | 16.6 | -169.2 | -70.8 | -71.6 | 168.7 | 0 | 0 | 114.6 | G326 | E324-G326 VanDerWaalsContact C-N 3.32Å; E324-G326 PolarHBondContact O-N 3.45Å | ||
| 325 | E | 43.2 | Very low | 48 | Very low | 205 Ų | 205 | 116.4 Ų | 116.4 | 96% | 0.958 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -88.7 | 72 | 158 | -74.9 | -149.1 | 159.1 | 0 | 0 | 110.1 | ||
| 326 | G | 40.9 | Very low | 45.5 | Very low | 75 Ų | 75 | 120 Ų | 120 | 77% | 0.773 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -176.7 | 18.2 | -177 | 0 | 0 | 0 | 0 | 0 | 117.4 | E324 | E324-G326 VanDerWaalsContact C-N 3.32Å; E324-G326 PolarHBondContact O-N 3.45Å |
| 327 | A | 38.8 | Very low | 43.1 | Very low | 79 Ų | 79 | 122.1 Ų | 122.1 | 65% | 0.653 | 70% | 0.7 | S | S | * | * | trans | -148.4 | 55.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S329 | A327-S329 PolarHBondContact O-N 3.35Å; A327-S329 VanDerWaalsContact O-N 3.14Å | ||
| 328 | E | 36.2 | Very low | 41.4 | Very low | 205 Ų | 205 | 127.1 Ų | 127.1 | 96% | 0.958 | 73% | 0.726 | S | S | * | * | trans | -69.3 | 103.5 | 160.4 | 59.1 | 179.9 | 118.4 | 0 | 0 | 110.4 | ||||
| 329 | S | 32.4 | Very low | 39.8 | Very low | 113 Ų | 113 | 127.5 Ų | 127.5 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | trans | -161.4 | 112.6 | 150.1 | -178 | 0 | 0 | 0 | 0 | 110.9 | A327 | A327-S329 PolarHBondContact O-N 3.35Å; A327-S329 VanDerWaalsContact O-N 3.14Å | ||
| 330 | S | 42 | Very low | 38.9 | Very low | 106 Ų | 106 | 133.3 Ų | 133.3 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | trans | -44.2 | 148.7 | 168.3 | -40.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 331 | Q | 34.1 | Very low | 39 | Very low | 196 Ų | 196 | 135.5 Ų | 135.5 | 92% | 0.916 | 77% | 0.77 | S | S | * | * | -167.8 | 117.9 | 123.7 | -107.2 | 165.5 | 11.3 | 0 | 0 | 113.2 | |||||
| 332 | E | 32.6 | Very low | 38.9 | Very low | 189 Ų | 189 | 138.1 Ų | 138.1 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | trans | -93.8 | 155.3 | 149 | -78.7 | -116 | 117.8 | 0 | 0 | 108.9 | ||||
| 333 | P | 45.5 | Very low | 38.9 | Very low | 106 Ų | 106 | 135.4 Ų | 135.4 | 69% | 0.688 | 77% | 0.774 | S | S | * | * | trans | -99.3 | 139.6 | -172.5 | 36.1 | -31.7 | 0 | 0 | 0 | 113.8 | ||||
| 334 | V | 33.7 | Very low | 38.5 | Very low | 137 Ų | 137 | 138.9 Ų | 138.9 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | trans | -171.9 | 119.5 | 132.4 | -95.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 335 | S | 30.5 | Very low | 38.8 | Very low | 87 Ų | 87 | 139.6 Ų | 139.6 | 61% | 0.608 | 79% | 0.789 | S | S | * | * | 60.3 | 130.8 | 127.2 | -44 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 336 | H | 32.4 | Very low | 39.4 | Very low | 168 Ų | 168 | 135.4 Ų | 135.4 | 78% | 0.778 | 78% | 0.78 | S | S | * | * | trans | 110.3 | 112.3 | 142.9 | -54.5 | -60.2 | 0 | 0 | 0 | 121.1 | ||||
| 337 | T | 31.6 | Very low | 40.3 | Very low | 130 Ų | 130 | 142.6 Ų | 142.6 | 80% | 0.798 | 78% | 0.784 | S | S | * | * | trans | 81.9 | 117.6 | 138.2 | 51.4 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 338 | L | 34.5 | Very low | 40.3 | Very low | 160 Ų | 160 | 146 Ų | 146 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | trans | 93.8 | 116 | 135.8 | -125.9 | 84.2 | 0 | 0 | 0 | 123.3 | ||||
| 339 | S | 32.9 | Very low | 41.2 | Very low | 101 Ų | 101 | 141.1 Ų | 141.1 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | 65.8 | 113.5 | 140.8 | 53.5 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 340 | D | 36.3 | Very low | 41.8 | Very low | 150 Ų | 150 | 139.4 Ų | 139.4 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | trans | -15.4 | 166.7 | 134.4 | -86.4 | -89.2 | 0 | 0 | 0 | 119.8 | ||||
| 341 | P | 51.3 | Low | 42 | Very low | 106 Ų | 106 | 139.4 Ų | 139.4 | 69% | 0.688 | 78% | 0.778 | S | S | * | * | cis | -142 | 166.2 | -45.2 | 37.4 | -18.4 | 0 | 0 | 0 | 114.8 | ||||
| 342 | K | 46.2 | Very low | 42.4 | Very low | 197 Ų | 197 | 139.7 Ų | 139.7 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | trans | 42.7 | 132.5 | 147.6 | -161 | 139.6 | -179.3 | 171.7 | 0 | 122 | ||||
| 343 | V | 46.4 | Very low | 42.8 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | trans | 92.3 | 108.7 | 166.2 | -169.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 344 | D | 39.6 | Very low | 42.4 | Very low | 148 Ų | 148 | 137 Ų | 137 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | -163.5 | 148.6 | 110.1 | -125 | -50.4 | 0 | 0 | 0 | 112.2 | |||||
| 345 | I | 52.9 | Low | 42.9 | Very low | 152 Ų | 152 | 135.9 Ų | 135.9 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | trans | -131.7 | 118.5 | 175.4 | -63.4 | 171.2 | 0 | 0 | 0 | 109 | ||||
| 346 | P | 57.6 | Low | 43.6 | Very low | 117 Ų | 117 | 141 Ų | 141 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | trans | -114.5 | 90 | 158.1 | 33.5 | -21.3 | 0 | 0 | 0 | 110.7 | D348 | P346-D348 PolarHBondContact O-N 2.96Š| ||
| 347 | R | 57.9 | Low | 43.8 | Very low | 227 Ų | 227 | 138.8 Ų | 138.8 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | 13.4 | 105.1 | 128.4 | -171.4 | -169.1 | -152.1 | 115.7 | -0.3 | 115.8 | |||||
| 348 | D | 40.6 | Very low | 44.1 | Very low | 151 Ų | 151 | 136 Ų | 136 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | trans | -134.4 | 138.5 | 139.2 | -166 | 14 | 0 | 0 | 0 | 109.8 | P346 | P346-D348 PolarHBondContact O-N 2.96Š| ||
| 349 | S | 53.1 | Low | 44.3 | Very low | 101 Ų | 101 | 140.1 Ų | 140.1 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | -130.9 | 75.3 | -175.6 | -62.1 | 0 | 0 | 0 | 0 | 108 | C351 | S349-C351 PolarHBondContact O-N 3.25Š| ||
| 350 | G | 46.1 | Very low | 44.7 | Very low | 78 Ų | 78 | 142.7 Ų | 142.7 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -69.8 | 75.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 351 | C | 45.7 | Very low | 44.8 | Very low | 106 Ų | 106 | 144.7 Ų | 144.7 | 72% | 0.716 | 80% | 0.803 | S | S | * | * | trans | -73 | 131.8 | 158.1 | -174 | 0 | 0 | 0 | 0 | 108.6 | S349 | S349-C351 PolarHBondContact O-N 3.25Š| ||
| 352 | F | 42.4 | Very low | 44.3 | Very low | 201 Ų | 201 | 143.2 Ų | 143.2 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | trans | -129.2 | 128.9 | 157.8 | -156.2 | -93.5 | 0 | 0 | 0 | 110.3 | ||||
| 353 | E | 40.4 | Very low | 43.8 | Very low | 163 Ų | 163 | 140.9 Ų | 140.9 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -101.6 | 136.7 | -172.9 | -165.9 | 173.2 | 116.2 | 0 | 0 | 108.3 | ||||
| 354 | G | 37.9 | Very low | 43.4 | Very low | 76 Ų | 76 | 142.3 Ų | 142.3 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | trans | -163.8 | 85.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 355 | S | 43.9 | Very low | 43.1 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | -64.2 | 144.7 | -168.5 | -42.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 356 | E | 45 | Very low | 42.1 | Very low | 195 Ų | 195 | 136.2 Ų | 136.2 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | -145.1 | 169.3 | 128.2 | 69.3 | 178.9 | 164.7 | 0 | 0 | 111.4 | |||||
| 357 | S | 37.7 | Very low | 41.3 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | -141.9 | 145.2 | -144.4 | 57.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 358 | G | 36.7 | Very low | 40.3 | Very low | 71 Ų | 71 | 133.4 Ų | 133.4 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | trans | 125.4 | 97.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 359 | R | 40.1 | Very low | 40.3 | Very low | 248 Ų | 248 | 133.5 Ų | 133.5 | 94% | 0.936 | 79% | 0.789 | S | S | * | * | 63.5 | 119.4 | 69.2 | -73.4 | -163.7 | 174.5 | -166.9 | -1 | 115.3 | |||||
| 360 | D | 40.1 | Very low | 39.7 | Very low | 155 Ų | 155 | 135.3 Ų | 135.3 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | trans | -61 | 154.6 | 173.9 | -42.7 | -117.2 | 0 | 0 | 0 | 113.9 | ||||
| 361 | E | 38.3 | Very low | 39.4 | Very low | 191 Ų | 191 | 137.7 Ų | 137.7 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | -178.1 | 178.6 | 112 | -109.1 | -111.8 | 65.9 | 0 | 0 | 112.4 | |||||
| 362 | A | 40.6 | Very low | 39.2 | Very low | 76 Ų | 76 | 141.1 Ų | 141.1 | 63% | 0.628 | 79% | 0.786 | S | S | * | * | trans | -114.6 | 166.9 | -157.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 363 | D | 36.1 | Very low | 39 | Very low | 148 Ų | 148 | 134.5 Ų | 134.5 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | trans | 73.7 | 161 | 143.4 | -130.2 | -72.2 | 0 | 0 | 0 | 122.6 | ||||
| 364 | L | 37.7 | Very low | 39.1 | Very low | 150 Ų | 150 | 135.1 Ų | 135.1 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | 79.3 | 118.3 | 165 | -58.4 | 175.5 | 0 | 0 | 0 | 122 | ||||
| 365 | A | 33.9 | Very low | 39.2 | Very low | 104 Ų | 104 | 136.6 Ų | 136.6 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | 49.8 | 145.3 | 141.6 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 366 | G | 32.1 | Very low | 39.2 | Very low | 68 Ų | 68 | 138.6 Ų | 138.6 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | cis | 129.8 | 97 | 6.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 367 | T | 41.7 | Very low | 39.1 | Very low | 120 Ų | 120 | 134.1 Ų | 134.1 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | trans | -178.6 | 110.9 | 166.7 | 42.8 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 368 | E | 37.3 | Very low | 39.2 | Very low | 166 Ų | 166 | 132 Ų | 132 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | 75.9 | 138.8 | 67.1 | 96.6 | -172.1 | 94.7 | 0 | 0 | 115.1 | |||||
| 369 | E | 40.5 | Very low | 39.3 | Very low | 152 Ų | 152 | 133.2 Ų | 133.2 | 71% | 0.71 | 78% | 0.778 | S | S | * | * | trans | 64.6 | 150 | 172 | -73.5 | -146.7 | 63.9 | 0 | 0 | 119.5 | ||||
| 370 | Q | 38.8 | Very low | 40.2 | Very low | 140 Ų | 140 | 131 Ų | 131 | 65% | 0.654 | 80% | 0.796 | S | S | * | * | cis | -170.9 | 159.1 | -21.4 | -169.6 | 108.3 | -82.8 | 0 | 0 | 108.5 | ||||
| 371 | L | 40.8 | Very low | 40.2 | Very low | 128 Ų | 128 | 129.8 Ų | 129.8 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | trans | 87.4 | 123.8 | 154.7 | -54.6 | -178.7 | 0 | 0 | 0 | 123.1 | ||||
| 372 | Q | 42.2 | Very low | 40.3 | Very low | 177 Ų | 177 | 126.6 Ų | 126.6 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | trans | 69.8 | 140.2 | 135.3 | -62.5 | 160.5 | 18.9 | 0 | 0 | 119.2 | ||||
| 373 | G | 37.1 | Very low | 40.3 | Very low | 62 Ų | 62 | 129.4 Ų | 129.4 | 64% | 0.639 | 80% | 0.798 | S | S | * | * | cis | 137.4 | 117.1 | -5.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 374 | L | 43.5 | Very low | 40.6 | Very low | 177 Ų | 177 | 128.3 Ų | 128.3 | 93% | 0.927 | 80% | 0.798 | S | S | * | * | trans | 68.8 | 158.6 | 173.7 | -39.7 | 175.6 | 0 | 0 | 0 | 113.7 | ||||
| 375 | S | 39.4 | Very low | 40.7 | Very low | 107 Ų | 107 | 126.9 Ų | 126.9 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | cis | -154.7 | 175.9 | 3.4 | -152.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 376 | L | 44.5 | Very low | 41.2 | Very low | 154 Ų | 154 | 128.5 Ų | 128.5 | 81% | 0.806 | 80% | 0.795 | S | S | * | * | trans | -35.9 | 146.1 | 171.7 | -96.3 | 70.8 | 0 | 0 | 0 | 120.3 | ||||
| 377 | A | 42.4 | Very low | 41.8 | Very low | 102 Ų | 102 | 132.8 Ų | 132.8 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | 69.6 | 154.1 | 125 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 378 | G | 40.2 | Very low | 41.9 | Very low | 75 Ų | 75 | 133.8 Ų | 133.8 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | 125.5 | 98.9 | 156.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 379 | A | 37.6 | Very low | 42.2 | Very low | 97 Ų | 97 | 131.1 Ų | 131.1 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | trans | -75 | 163.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 380 | P | 59.9 | Low | 42.4 | Very low | 202 Ų | 202 | 129.2 Ų | 129.2 | 100% | 1.312 | 82% | 0.818 | S | S | * | * | -112 | 0 | 121.1 | 33.1 | -33.8 | 0 | 0 | 0 | 112.7 |
Retrieved 380 of 380 residues in 106.8 ms
(Link to these results)