| 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 | 37.2 | Very low | 32.3 | Very low | 238 Ų | 238 | 155.7 Ų | 155.7 | 100% | 1.172 | 82% | 0.821 | S | S | * | * | 0 | 141.6 | 0 | -67.2 | -175.9 | -136.9 | 0 | 0 | 107.9 | |||||
| 2 | R | 38.4 | Very low | 32 | Very low | 244 Ų | 244 | 157.2 Ų | 157.2 | 92% | 0.921 | 83% | 0.828 | S | S | * | * | trans | 62.3 | 92.7 | -161.5 | -52 | -173.2 | -169.1 | -169.7 | 4.4 | 110.1 | ||||
| 3 | E | 33.3 | Very low | 31.8 | Very low | 167 Ų | 167 | 155.5 Ų | 155.5 | 78% | 0.78 | 83% | 0.828 | S | S | * | * | cis | 69.4 | 102 | 26.1 | -159.6 | -142.1 | 130.5 | 0 | 0 | 113.7 | ||||
| 4 | R | 33.3 | Very low | 31.5 | Very low | 231 Ų | 231 | 155.7 Ų | 155.7 | 87% | 0.872 | 83% | 0.828 | S | S | * | * | -158.2 | 140.6 | 110.5 | -103.1 | 177.7 | -178.3 | -176.6 | -0.9 | 110.9 | |||||
| 5 | S | 30.1 | Very low | 31.2 | Very low | 107 Ų | 107 | 159.6 Ų | 159.6 | 75% | 0.748 | 83% | 0.829 | S | S | * | * | trans | -136.7 | -174.3 | 178.8 | -57.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 6 | Q | 33.7 | Very low | 30.8 | Very low | 170 Ų | 170 | 157.1 Ų | 157.1 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | trans | 72.7 | 140.9 | 177.1 | -62.6 | -171.8 | -92.1 | 0 | 0 | 113.8 | ||||
| 7 | D | 29.4 | Very low | 30.5 | Very low | 130 Ų | 130 | 151.6 Ų | 151.6 | 70% | 0.695 | 81% | 0.812 | S | S | * | * | cis | -157.5 | 175.6 | 1.6 | -96 | -22.9 | 0 | 0 | 0 | 108 | ||||
| 8 | S | 28.4 | Very low | 30.4 | Very low | 85 Ų | 85 | 151.9 Ų | 151.9 | 59% | 0.594 | 81% | 0.813 | S | S | * | * | cis | -169.5 | 165.1 | -32.7 | 64.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 9 | L | 32.2 | Very low | 30.3 | Very low | 168 Ų | 168 | 154.7 Ų | 154.7 | 88% | 0.88 | 82% | 0.817 | S | S | * | * | trans | 69.2 | 156.7 | 149.1 | -86 | 161 | 0 | 0 | 0 | 123.8 | ||||
| 10 | A | 30.2 | Very low | 30.2 | Very low | 102 Ų | 102 | 150.8 Ų | 150.8 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | trans | 68.6 | 123.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 11 | G | 28.8 | Very low | 30.6 | Very low | 71 Ų | 71 | 153 Ų | 153 | 73% | 0.732 | 82% | 0.82 | S | S | * | * | cis | 170.8 | 163.9 | -9.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 12 | L | 28.8 | Very low | 30.8 | Very low | 173 Ų | 173 | 147.9 Ų | 147.9 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | trans | 37.3 | 135.4 | 153.9 | -62.8 | 162.8 | 0 | 0 | 0 | 119.5 | ||||
| 13 | V | 29.8 | Very low | 30.4 | Very low | 136 Ų | 136 | 139.3 Ų | 139.3 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | -158.6 | 160.4 | 55.9 | 166.7 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 14 | L | 27.9 | Very low | 30.2 | Very low | 158 Ų | 158 | 139.1 Ų | 139.1 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | trans | -105.5 | 135.9 | 173.8 | -69.8 | 159.9 | 0 | 0 | 0 | 113.4 | ||||
| 15 | Y | 25.9 | Very low | 30.4 | Very low | 214 Ų | 214 | 136.5 Ų | 136.5 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | 175.8 | 137.5 | 140.3 | -116.9 | -122.6 | 0 | 0 | 0 | 108.1 | ||||
| 16 | V | 25.9 | Very low | 30.6 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | cis | 72.9 | 118.4 | 45.4 | 180 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 17 | G | 25 | Very low | 30.5 | Very low | 63 Ų | 63 | 142.1 Ų | 142.1 | 65% | 0.649 | 80% | 0.801 | S | S | * | * | trans | 128.9 | 84.2 | 149.1 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 18 | L | 29.2 | Very low | 30.7 | Very low | 157 Ų | 157 | 140.1 Ų | 140.1 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | 63 | 148.5 | 126.9 | -67.8 | 164.7 | 0 | 0 | 0 | 125 | |||||
| 19 | F | 28 | Very low | 30.9 | Very low | 205 Ų | 205 | 142.9 Ų | 142.9 | 90% | 0.899 | 80% | 0.804 | S | S | * | * | trans | 68.9 | 127.9 | 156.5 | -78.1 | -67.1 | 0 | 0 | 0 | 122.7 | ||||
| 20 | G | 28.7 | Very low | 30.9 | Very low | 76 Ų | 76 | 144.9 Ų | 144.9 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | 136.2 | 111.6 | 148.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 21 | H | 37.3 | Very low | 31.1 | Very low | 197 Ų | 197 | 144.4 Ų | 144.4 | 91% | 0.912 | 79% | 0.791 | S | S | * | * | trans | -79.6 | 147 | 156.1 | -67.7 | -63.1 | 0 | 0 | 0 | 109.5 | ||||
| 22 | P | 42.9 | Very low | 31.5 | Very low | 131 Ų | 131 | 151 Ų | 151 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | -156.5 | -173.7 | 97.2 | 41.4 | -23.5 | 0 | 0 | 0 | 115.2 | |||||
| 23 | G | 29.1 | Very low | 31.6 | Very low | 65 Ų | 65 | 151.2 Ų | 151.2 | 67% | 0.67 | 79% | 0.788 | S | S | * | * | 118.6 | 75.6 | 129.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 24 | M | 30.4 | Very low | 31.5 | Very low | 162 Ų | 162 | 155.7 Ų | 155.7 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | trans | 3 | 117.3 | 131.6 | -178.1 | 179.9 | 68.8 | 0 | 0 | 117.2 | ||||
| 25 | L | 36.8 | Very low | 31.7 | Very low | 176 Ų | 176 | 154.3 Ų | 154.3 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 150.8 | 177.1 | -83.2 | 171.7 | 0 | 0 | 0 | 114.2 | ||
| 26 | H | 35 | Very low | 31.9 | Very low | 175 Ų | 175 | 151.3 Ų | 151.3 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 161 | -167 | -90.1 | -118 | 0 | 0 | 0 | 115.6 | ||
| 27 | R | 31.3 | Very low | 32.2 | Very low | 220 Ų | 220 | 149.1 Ų | 149.1 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 140.3 | -177.4 | 167 | -173.3 | 177.4 | 175.8 | 2.2 | 113.8 | ||
| 28 | A | 32.5 | Very low | 32.5 | Very low | 88 Ų | 88 | 153.2 Ų | 153.2 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -119.7 | 140.1 | 148.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 29 | K | 33.3 | Very low | 32.5 | Very low | 143 Ų | 143 | 151.5 Ų | 151.5 | 62% | 0.622 | 77% | 0.769 | S | S | * | * | cis | 68.1 | 116.6 | 41.2 | -59.6 | -175.1 | 178.6 | -178.2 | 0 | 110.8 | ||||
| 30 | Y | 32.3 | Very low | 32.6 | Very low | 211 Ų | 211 | 146.6 Ų | 146.6 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | cis | -144.3 | -171.8 | 15.1 | -66.1 | -87.3 | 0 | 0 | 0 | 111.8 | ||||
| 31 | S | 33.8 | Very low | 32.8 | Very low | 91 Ų | 91 | 150.1 Ų | 150.1 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | 170.3 | 93 | -63.5 | 172.4 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 32 | R | 37.6 | Very low | 32.4 | Very low | 211 Ų | 211 | 147.3 Ų | 147.3 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | trans | 68.9 | 163.4 | 177.8 | -54.1 | -179.5 | 168.6 | 175.2 | -5.7 | 114.5 | ||||
| 33 | F | 31 | Very low | 31.7 | Very low | 176 Ų | 176 | 149 Ų | 149 | 77% | 0.772 | 75% | 0.748 | S | S | * | * | cis | -122.9 | 176.1 | 6.5 | -86 | -92.2 | 0 | 0 | 0 | 109.8 | ||||
| 34 | R | 28.2 | Very low | 31.6 | Very low | 231 Ų | 231 | 148.9 Ų | 148.9 | 87% | 0.872 | 75% | 0.747 | S | S | * | * | cis | -153.5 | 150.8 | 28.1 | -155.6 | -175.2 | -165.3 | 171.5 | 2.9 | 111.6 | ||||
| 35 | N | 31.4 | Very low | 31.5 | Very low | 128 Ų | 128 | 146 Ų | 146 | 68% | 0.684 | 74% | 0.743 | S | S | * | * | trans | -87.5 | -177.2 | 167.9 | -81.8 | 2 | 0 | 0 | 0 | 111.7 | ||||
| 36 | E | 31.2 | Very low | 31.2 | Very low | 151 Ų | 151 | 143 Ų | 143 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | trans | 117.1 | 135.3 | 137.7 | -56.2 | -51.2 | 139.2 | 0 | 0 | 114.1 | ||||
| 37 | S | 31 | Very low | 30.9 | Very low | 74 Ų | 74 | 138.6 Ų | 138.6 | 52% | 0.517 | 74% | 0.739 | S | S | . | * | cis | 176.9 | 167.1 | -22.8 | -108.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 38 | I | 31.6 | Very low | 30.7 | Very low | 150 Ų | 150 | 132 Ų | 132 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | trans | 46.7 | 158.6 | 146 | 72.4 | -166.8 | 0 | 0 | 0 | 120.6 | ||||
| 39 | T | 29.5 | Very low | 30.5 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 74% | 0.742 | 74% | 0.743 | S | S | * | * | cis | -159.5 | 174.4 | -11.3 | 17 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 40 | S | 28.8 | Very low | 30.3 | Very low | 101 Ų | 101 | 133.4 Ų | 133.4 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | -178.6 | 147.4 | 59.8 | 47.1 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 41 | L | 34.4 | Very low | 30 | Very low | 150 Ų | 150 | 126.7 Ų | 126.7 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | 64.3 | 132.7 | 75.2 | -138.9 | 97.8 | 0 | 0 | 0 | 113 | |||||
| 42 | D | 27.7 | Very low | 29.7 | Very low | 138 Ų | 138 | 129.4 Ų | 129.4 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | cis | -153 | -174.2 | -17 | -119.2 | 156.1 | 0 | 0 | 0 | 107.3 | ||||
| 43 | E | 29.1 | Very low | 29.3 | Very low | 166 Ų | 166 | 128.8 Ų | 128.8 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | cis | -136.8 | -146.6 | 7 | -146.2 | -143 | 116.9 | 0 | 0 | 107.7 | S45 | E43-S45 PolarHBondContact OE1-N 3.27Š| ||
| 44 | G | 26 | Very low | 29 | Very low | 64 Ų | 64 | 123.9 Ų | 123.9 | 66% | 0.66 | 76% | 0.76 | S | S | * | * | cis | -172.8 | 176 | 0.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 45 | S | 29.7 | Very low | 29.5 | Very low | 102 Ų | 102 | 118.8 Ų | 118.8 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | trans | -131 | 158.3 | -145 | -162.8 | 0 | 0 | 0 | 0 | 119.4 | E43 | E43-S45 PolarHBondContact OE1-N 3.27Š| ||
| 46 | S | 30.6 | Very low | 30.3 | Very low | 111 Ų | 111 | 117.5 Ų | 117.5 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | 81.9 | 141.2 | 146.5 | 80.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 47 | G | 27.9 | Very low | 30.5 | Very low | 84 Ų | 84 | 119.3 Ų | 119.3 | 87% | 0.866 | 77% | 0.767 | S | S | * | * | trans | 80.6 | 154.4 | 134.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 48 | G | 26.2 | Very low | 31.3 | Very low | 80 Ų | 80 | 120.7 Ų | 120.7 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | -178.9 | 154.6 | 168 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 49 | S | 28.6 | Very low | 32 | Very low | 116 Ų | 116 | 118.6 Ų | 118.6 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | 175.8 | 162.9 | 155.2 | -167 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 50 | V | 29.6 | Very low | 31.8 | Very low | 146 Ų | 146 | 121.2 Ų | 121.2 | 89% | 0.885 | 77% | 0.773 | S | S | * | * | trans | 70.3 | 131.5 | 166.9 | -166.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 51 | G | 26.6 | Very low | 32.7 | Very low | 70 Ų | 70 | 122.1 Ų | 122.1 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | trans | 152.9 | 38.8 | 155.6 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 52 | N | 28 | Very low | 32.3 | Very low | 147 Ų | 147 | 118.9 Ų | 118.9 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | trans | 40.7 | 125.8 | 151.6 | -107.7 | -17 | 0 | 0 | 0 | 123.7 | ||||
| 53 | K | 27.9 | Very low | 32.3 | Very low | 199 Ų | 199 | 120.6 Ų | 120.6 | 87% | 0.865 | 78% | 0.78 | S | S | * | * | trans | 54.8 | 132.7 | 146.3 | -61.5 | -179.3 | 178.6 | -177 | 0 | 120.9 | ||||
| 54 | G | 26 | Very low | 32.2 | Very low | 73 Ų | 73 | 116.9 Ų | 116.9 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | cis | 153 | 174.6 | -8.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 55 | S | 37.7 | Very low | 33.1 | Very low | 123 Ų | 123 | 118.4 Ų | 118.4 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | 79.7 | 153.3 | 167.8 | -124 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 56 | P | 48.6 | Very low | 33 | Very low | 101 Ų | 101 | 121.9 Ų | 121.9 | 66% | 0.656 | 78% | 0.781 | S | S | * | * | -143.1 | 165.2 | -53.9 | 39.9 | -23.9 | 0 | 0 | 0 | 117.8 | |||||
| 57 | Q | 35.7 | Very low | 33 | Very low | 190 Ų | 190 | 124.6 Ų | 124.6 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | 80.4 | 160.8 | 145 | -81.8 | -161.5 | -80.8 | 0 | 0 | 123.5 | ||||
| 58 | P | 46.7 | Very low | 33.7 | Very low | 103 Ų | 103 | 126.4 Ų | 126.4 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | trans | -122.7 | -149.5 | -159.3 | 46.6 | -29 | 0 | 0 | 0 | 111.7 | ||||
| 59 | P | 46.4 | Very low | 33.9 | Very low | 106 Ų | 106 | 126.3 Ų | 126.3 | 69% | 0.688 | 77% | 0.773 | S | S | * | * | cis | -139.9 | -177.4 | -2.6 | 38.7 | -16 | 0 | 0 | 0 | 118.9 | ||||
| 60 | H | 25.5 | Very low | 34.1 | Very low | 175 Ų | 175 | 129.8 Ų | 129.8 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | -9.4 | 168.7 | 145 | -55.9 | -62.5 | 0 | 0 | 0 | 121.1 | ||||
| 61 | P | 48 | Very low | 34 | Very low | 120 Ų | 120 | 130.6 Ų | 130.6 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | cis | -141.3 | -171.3 | -25 | 31.2 | -8.5 | 0 | 0 | 0 | 115 | ||||
| 62 | A | 25.9 | Very low | 34.2 | Very low | 82 Ų | 82 | 131.5 Ų | 131.5 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | 116.9 | 143.6 | 125.6 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 63 | L | 27 | Very low | 34.1 | Very low | 174 Ų | 174 | 129.1 Ų | 129.1 | 91% | 0.911 | 78% | 0.778 | S | S | * | * | trans | 71.8 | 135 | 152.2 | -71.1 | 159.4 | 0 | 0 | 0 | 121.4 | ||||
| 64 | A | 27.8 | Very low | 34.2 | Very low | 88 Ų | 88 | 127.8 Ų | 127.8 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -92.7 | -155.2 | 159.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 65 | P | 44.9 | Very low | 34.7 | Very low | 97 Ų | 97 | 129.8 Ų | 129.8 | 63% | 0.63 | 78% | 0.779 | S | S | * | * | cis | -145.4 | -167.1 | 20.8 | 24.4 | 5.8 | 0 | 0 | 0 | 116.7 | ||||
| 66 | H | 27.4 | Very low | 34.2 | Very low | 175 Ų | 175 | 129.6 Ų | 129.6 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | 109.2 | 145 | 153.3 | -57.5 | -60.8 | 0 | 0 | 0 | 120.6 | ||||
| 67 | L | 31.3 | Very low | 33.2 | Very low | 168 Ų | 168 | 133.6 Ų | 133.6 | 88% | 0.88 | 79% | 0.787 | S | S | * | * | trans | -115.9 | 176.1 | 175.7 | -53.3 | 166.4 | 0 | 0 | 0 | 108 | ||||
| 68 | P | 43 | Very low | 32.8 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | -159.1 | -173.3 | 76.9 | 42.7 | -21.4 | 0 | 0 | 0 | 117.6 | |||||
| 69 | A | 29.6 | Very low | 31.9 | Very low | 77 Ų | 77 | 134.1 Ų | 134.1 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | trans | 65.2 | 121.2 | 157.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 70 | E | 32.8 | Very low | 31.9 | Very low | 189 Ų | 189 | 134.4 Ų | 134.4 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | 73.9 | 136.5 | 68.3 | -67.5 | 175.2 | 116.8 | 0 | 0 | 112.5 | |||||
| 71 | D | 26.5 | Very low | 32.5 | Very low | 163 Ų | 163 | 132 Ų | 132 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | cis | -147.7 | -166.9 | 41.1 | -161.2 | -7.9 | 0 | 0 | 0 | 113.1 | ||||
| 72 | A | 30.9 | Very low | 32.7 | Very low | 89 Ų | 89 | 131.5 Ų | 131.5 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | trans | -106.8 | 161.6 | -159.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 73 | A | 27.5 | Very low | 32.9 | Very low | 98 Ų | 98 | 135.3 Ų | 135.3 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -172.7 | 144.4 | 139.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 74 | L | 28.9 | Very low | 33 | Very low | 171 Ų | 171 | 132 Ų | 132 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | trans | -110.8 | 173.4 | 158.8 | -73.8 | 172.5 | 0 | 0 | 0 | 107.2 | ||||
| 75 | P | 37 | Very low | 33.1 | Very low | 114 Ų | 114 | 134.4 Ų | 134.4 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | cis | -149 | -154.2 | 21.8 | 45.5 | -23.8 | 0 | 0 | 0 | 116.1 | ||||
| 76 | S | 27.2 | Very low | 32.5 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | 102 | 159.3 | 155.3 | 76.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 77 | Q | 28.3 | Very low | 33 | Very low | 185 Ų | 185 | 136.2 Ų | 136.2 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -115.5 | 160 | -159.8 | -59.1 | 177.5 | -31.6 | 0 | 0 | 112.2 | ||||
| 78 | E | 26.3 | Very low | 33.7 | Very low | 197 Ų | 197 | 133.4 Ų | 133.4 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | -175.7 | 171.3 | 117.9 | -103.1 | -178.4 | 159.5 | 0 | 0 | 113.5 | |||||
| 79 | S | 28.9 | Very low | 33 | Very low | 107 Ų | 107 | 139.7 Ų | 139.7 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | -160.8 | 169.2 | 176.8 | 71.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 80 | P | 45.8 | Very low | 33 | Very low | 112 Ų | 112 | 145 Ų | 145 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | cis | -144.1 | -158.7 | 17.3 | 43.1 | -20.9 | 0 | 0 | 0 | 116.5 | ||||
| 81 | T | 38.7 | Very low | 32.9 | Very low | 124 Ų | 124 | 141 Ų | 141 | 76% | 0.761 | 81% | 0.813 | S | S | * | * | trans | -32.5 | 159.8 | 167.4 | 41.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 82 | P | 50.6 | Low | 33.1 | Very low | 110 Ų | 110 | 137.9 Ų | 137.9 | 71% | 0.714 | 81% | 0.805 | S | S | * | * | -159.5 | 171.4 | 53.8 | 44.6 | -22.6 | 0 | 0 | 0 | 122.9 | |||||
| 83 | L | 31.8 | Very low | 33 | Very low | 162 Ų | 162 | 141.5 Ų | 141.5 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | trans | 44.8 | 134.1 | 143.2 | -73.3 | 164.8 | 0 | 0 | 0 | 123.8 | ||||
| 84 | C | 28 | Very low | 33.1 | Very low | 104 Ų | 104 | 144.7 Ų | 144.7 | 70% | 0.703 | 80% | 0.804 | S | S | * | * | 158.4 | 145.2 | 96.7 | -117.7 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 85 | T | 30.9 | Very low | 33.2 | Very low | 139 Ų | 139 | 144.2 Ų | 144.2 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | 71 | 166.8 | 149.2 | 43.1 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 86 | L | 30.9 | Very low | 32.6 | Very low | 162 Ų | 162 | 143.4 Ų | 143.4 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | -152.7 | -159.7 | -162.3 | -161.6 | 118.8 | 0 | 0 | 0 | 111.5 | ||||
| 87 | I | 37.8 | Very low | 32.6 | Very low | 149 Ų | 149 | 145.1 Ų | 145.1 | 76% | 0.764 | 80% | 0.804 | S | S | * | * | trans | 78.3 | 163.2 | 168.1 | 5.6 | -177 | 0 | 0 | 0 | 117.7 | ||||
| 88 | P | 46.6 | Very low | 34.2 | Very low | 108 Ų | 108 | 141.3 Ų | 141.3 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | -134.7 | -172.1 | -105.1 | 46.9 | -30.5 | 0 | 0 | 0 | 116.5 | |||||
| 89 | R | 28.7 | Very low | 34.3 | Very low | 254 Ų | 254 | 135.9 Ų | 135.9 | 96% | 0.958 | 79% | 0.785 | S | S | * | * | trans | -141 | 161.4 | 153.7 | -80.3 | -158 | 168.9 | 178.3 | -1.7 | 113.7 | ||||
| 90 | M | 29.3 | Very low | 34.3 | Very low | 190 Ų | 190 | 137.1 Ų | 137.1 | 94% | 0.936 | 79% | 0.788 | S | S | * | * | trans | -110.3 | 154.1 | -170.5 | -65 | -175.4 | -76.8 | 0 | 0 | 114.1 | ||||
| 91 | A | 31.4 | Very low | 33.8 | Very low | 103 Ų | 103 | 138.6 Ų | 138.6 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | -130.5 | 169 | 159.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 92 | S | 30.8 | Very low | 33.7 | Very low | 99 Ų | 99 | 140.1 Ų | 140.1 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | trans | -163.2 | -171.1 | -172.6 | 66.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 93 | M | 27.9 | Very low | 32.7 | Very low | 164 Ų | 164 | 139.1 Ų | 139.1 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | trans | 92.7 | 154.1 | 171.3 | -50.5 | -63.2 | 176.7 | 0 | 0 | 117.9 | ||||
| 94 | K | 28.4 | Very low | 32.9 | Very low | 166 Ų | 166 | 138.2 Ų | 138.2 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | cis | -174.4 | 124.2 | -40.3 | -172 | 168.3 | -177.2 | -180 | 0 | 111.1 | ||||
| 95 | L | 31.2 | Very low | 33.3 | Very low | 161 Ų | 161 | 141.4 Ų | 141.4 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | 56.9 | 161.8 | 167.5 | -90.7 | 69.1 | 0 | 0 | 0 | 116.1 | ||||
| 96 | A | 26.1 | Very low | 33.2 | Very low | 96 Ų | 96 | 141 Ų | 141 | 79% | 0.793 | 78% | 0.777 | S | S | * | * | cis | -143.9 | -166.5 | 18.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 97 | N | 27.3 | Very low | 33 | Very low | 155 Ų | 155 | 142 Ų | 142 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | trans | -124.2 | -166.9 | -174.2 | -149.8 | 14.5 | 0 | 0 | 0 | 111.2 | ||||
| 98 | P | 60.7 | Low | 32.6 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 69% | 0.688 | 77% | 0.77 | S | S | * | * | -126.3 | -176.7 | -117.2 | 42.8 | -24.8 | 0 | 0 | 0 | 114.9 | |||||
| 99 | A | 28.4 | Very low | 31.8 | Very low | 83 Ų | 83 | 142.7 Ų | 142.7 | 69% | 0.686 | 78% | 0.78 | S | S | * | * | trans | -178.5 | 173.4 | 143.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 100 | T | 29.9 | Very low | 31.7 | Very low | 133 Ų | 133 | 134 Ų | 134 | 82% | 0.816 | 77% | 0.769 | S | S | * | * | trans | 71.7 | 155.1 | 162.1 | 69 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 101 | L | 35.3 | Very low | 31.6 | Very low | 143 Ų | 143 | 132 Ų | 132 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | -172.3 | 156.3 | -52.6 | -115.6 | 175.7 | 0 | 0 | 0 | 110.9 | |||||
| 102 | L | 35.3 | Very low | 31.8 | Very low | 156 Ų | 156 | 137.5 Ų | 137.5 | 82% | 0.817 | 77% | 0.772 | S | S | * | * | trans | 67.3 | 160.2 | 161.5 | -62.2 | 171.3 | 0 | 0 | 0 | 118 | ||||
| 103 | S | 29.9 | Very low | 31.7 | Very low | 89 Ų | 89 | 141.2 Ų | 141.2 | 62% | 0.622 | 78% | 0.779 | S | S | * | * | cis | -171.2 | 165.7 | -26.1 | -174.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 104 | L | 36.6 | Very low | 31.8 | Very low | 143 Ų | 143 | 139 Ų | 139 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | trans | 100.4 | 115.3 | 157.7 | -56.7 | 178.7 | 0 | 0 | 0 | 117 | ||||
| 105 | K | 36.3 | Very low | 32.5 | Very low | 170 Ų | 170 | 136.2 Ų | 136.2 | 74% | 0.739 | 77% | 0.773 | S | S | * | * | cis | 99.3 | 108.6 | 49.5 | -91.8 | -161.2 | -174.2 | 178.3 | 0 | 113.8 | ||||
| 106 | N | 28.8 | Very low | 32.3 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | 171.1 | 130.7 | 109.5 | -87.1 | -19.1 | 0 | 0 | 0 | 115.6 | |||||
| 107 | F | 26.6 | Very low | 32.4 | Very low | 184 Ų | 184 | 140.2 Ų | 140.2 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | trans | 32.5 | 142.8 | 138.8 | -68.3 | -93.3 | 0 | 0 | 0 | 123.1 | ||||
| 108 | C | 29.9 | Very low | 32.2 | Very low | 99 Ų | 99 | 141.5 Ų | 141.5 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | cis | -174.2 | 176.7 | -15.4 | -146.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 109 | L | 29.7 | Very low | 30.6 | Very low | 173 Ų | 173 | 143.6 Ų | 143.6 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | trans | 69.2 | 137.2 | 164.5 | -61.1 | 165.9 | 0 | 0 | 0 | 117.8 | ||||
| 110 | G | 26.6 | Very low | 30.4 | Very low | 70 Ų | 70 | 147 Ų | 147 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | cis | 173 | 116.6 | -10.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 111 | T | 26.8 | Very low | 30.2 | Very low | 149 Ų | 149 | 148.4 Ų | 148.4 | 91% | 0.914 | 77% | 0.767 | S | S | * | * | trans | -126.9 | 146.4 | 162.7 | 51.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 112 | K | 34.8 | Very low | 29.7 | Very low | 219 Ų | 219 | 147.3 Ų | 147.3 | 95% | 0.952 | 77% | 0.771 | S | S | * | * | trans | -132.5 | 156 | -177.8 | -129.8 | -175.6 | -177.9 | -173.7 | 0 | 112.4 | ||||
| 113 | E | 29 | Very low | 29.3 | Very low | 177 Ų | 177 | 151.2 Ų | 151.2 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | trans | -141.4 | 132.4 | -148 | -124.1 | -148.5 | 136.4 | 0 | 0 | 113.1 | ||||
| 114 | V | 29.7 | Very low | 29.1 | Very low | 116 Ų | 116 | 154.1 Ų | 154.1 | 70% | 0.703 | 78% | 0.783 | S | S | * | * | trans | 60.2 | -174.6 | 148.7 | -118.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 115 | P | 43.6 | Very low | 29.3 | Very low | 109 Ų | 109 | 153.2 Ų | 153.2 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | -137.6 | -145 | -128.9 | 49.3 | -27.3 | 0 | 0 | 0 | 115.4 | |||||
| 116 | R | 26.2 | Very low | 28.7 | Very low | 214 Ų | 214 | 148.4 Ų | 148.4 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | trans | 122.3 | 150.4 | 163.5 | -68.9 | 172.5 | 82.3 | 103.2 | -0.9 | 111.8 | ||||
| 117 | L | 29.2 | Very low | 28.5 | Very low | 126 Ų | 126 | 148.1 Ų | 148.1 | 66% | 0.66 | 79% | 0.793 | S | S | * | * | cis | -162.8 | 173.1 | -16.1 | -109 | 177.6 | 0 | 0 | 0 | 110.3 | ||||
| 118 | K | 23.8 | Very low | 28.5 | Very low | 183 Ų | 183 | 144.6 Ų | 144.6 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | trans | -6.6 | 148.1 | 162.5 | -71 | -174.1 | 172.3 | -166.6 | 0 | 118.8 | ||||
| 119 | L | 25.5 | Very low | 28.5 | Very low | 150 Ų | 150 | 145.4 Ų | 145.4 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | -175.1 | 148.3 | 64.9 | -175.1 | 61.7 | 0 | 0 | 0 | 114.4 | |||||
| 120 | Q | 25.3 | Very low | 29 | Very low | 153 Ų | 153 | 142.9 Ų | 142.9 | 72% | 0.715 | 79% | 0.792 | S | S | * | * | trans | 24.7 | 132.6 | 151.1 | -151.8 | 87.5 | -2.1 | 0 | 0 | 123.8 | ||||
| 121 | E | 24.6 | Very low | 29 | Very low | 163 Ų | 163 | 144.7 Ų | 144.7 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | 128.1 | 150.8 | 121.2 | -149.8 | 140.4 | 149.6 | 0 | 0 | 120 | |||||
| 122 | S | 25.7 | Very low | 29.2 | Very low | 120 Ų | 120 | 142.9 Ų | 142.9 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | trans | 88.8 | 169.5 | 163.3 | 78.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 123 | R | 26.2 | Very low | 29.7 | Very low | 239 Ų | 239 | 138.6 Ų | 138.6 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | trans | -110.8 | 165.7 | -156.2 | -85.2 | 173.6 | 159.6 | 151.7 | -9.1 | 113.8 | ||||
| 124 | D | 26.6 | Very low | 29.7 | Very low | 149 Ų | 149 | 138.8 Ų | 138.8 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -33.5 | 159.5 | 157.3 | -64.8 | -78.5 | 0 | 0 | 0 | 116.3 | ||||
| 125 | P | 41 | Very low | 29.5 | Very low | 125 Ų | 125 | 140 Ų | 140 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | cis | -147.2 | 160.5 | 29.7 | 40.9 | -21.2 | 0 | 0 | 0 | 120.4 | ||||
| 126 | G | 22.8 | Very low | 28.7 | Very low | 68 Ų | 68 | 139.6 Ų | 139.6 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | 102.4 | 146.7 | 119.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 127 | S | 24.2 | Very low | 28.9 | Very low | 125 Ų | 125 | 137.4 Ų | 137.4 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | 66.8 | 134 | 158.8 | -139 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 128 | S | 26.6 | Very low | 28.9 | Very low | 110 Ų | 110 | 137.2 Ų | 137.2 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | cis | -162.8 | 164.3 | 30.1 | 46.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 129 | S | 30.6 | Very low | 29.1 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | trans | -136.9 | 148 | 165.6 | 59 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 130 | P | 40.3 | Very low | 29.1 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | trans | -146.6 | 172.2 | 141 | 37.3 | -22 | 0 | 0 | 0 | 112.3 | ||||
| 131 | S | 26.2 | Very low | 29.1 | Very low | 109 Ų | 109 | 135 Ų | 135 | 76% | 0.762 | 81% | 0.813 | S | S | * | * | cis | -170.5 | 154.2 | -28.4 | 55.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 132 | S | 31 | Very low | 29.2 | Very low | 111 Ų | 111 | 134.1 Ų | 134.1 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | trans | -78.3 | 173.1 | 172.2 | -47.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 133 | P | 45.6 | Very low | 29.2 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | trans | -127.8 | 163.2 | 140.4 | 37.4 | -28.7 | 0 | 0 | 0 | 113.7 | ||||
| 134 | E | 28.5 | Very low | 30.2 | Very low | 182 Ų | 182 | 127 Ų | 127 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | trans | -119.6 | 166.4 | -179.7 | -63 | -177.1 | 85.1 | 0 | 0 | 112.8 | ||||
| 135 | T | 25.9 | Very low | 31.4 | Very low | 142 Ų | 142 | 125.4 Ų | 125.4 | 87% | 0.871 | 81% | 0.806 | S | S | * | * | trans | 172.3 | 151 | 144.3 | 25.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 136 | S | 27.2 | Very low | 31.4 | Very low | 100 Ų | 100 | 125.2 Ų | 125.2 | 70% | 0.699 | 81% | 0.805 | S | S | * | * | cis | -163.4 | 127.5 | -12.7 | 51.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 137 | L | 31 | Very low | 31.9 | Very low | 168 Ų | 168 | 129.9 Ų | 129.9 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | trans | 22 | 128 | 145.7 | -63.8 | 167.7 | 0 | 0 | 0 | 123.2 | ||||
| 138 | S | 28.1 | Very low | 32.8 | Very low | 122 Ų | 122 | 128.7 Ų | 128.7 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | 166.7 | 166.9 | 117.2 | 50.7 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 139 | R | 27.7 | Very low | 32.8 | Very low | 243 Ų | 243 | 129.3 Ų | 129.3 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | cis | -177.6 | 105.7 | -43.2 | 178.8 | -162.9 | -170.5 | -147.7 | 4.7 | 110 | ||||
| 140 | S | 25.3 | Very low | 32.9 | Very low | 132 Ų | 132 | 130 Ų | 130 | 92% | 0.923 | 79% | 0.786 | S | S | * | * | trans | -177.8 | 166.3 | 158.7 | 50.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 141 | G | 26.1 | Very low | 32.5 | Very low | 65 Ų | 65 | 131 Ų | 131 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | trans | 177.6 | -174 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 142 | T | 26.4 | Very low | 32.5 | Very low | 144 Ų | 144 | 128.3 Ų | 128.3 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | trans | 114.7 | 111.4 | 164.2 | -46.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 143 | A | 26.2 | Very low | 32.5 | Very low | 91 Ų | 91 | 132.4 Ų | 132.4 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | 82.5 | 138.9 | 144.6 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 144 | P | 46.6 | Very low | 31.6 | Very low | 119 Ų | 119 | 137 Ų | 137 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -97.8 | -162.4 | 166.2 | 46.5 | -39.1 | 0 | 0 | 0 | 110.3 | ||||
| 145 | P | 51.8 | Low | 31.6 | Very low | 115 Ų | 115 | 132.3 Ų | 132.3 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | cis | -119.7 | -127.4 | 7.3 | 34.1 | -8.4 | 0 | 0 | 0 | 112.6 | ||||
| 146 | P | 41.3 | Very low | 31.7 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | cis | -106 | -160.4 | 20.8 | 43.9 | -38 | 0 | 0 | 0 | 115.3 | ||||
| 147 | Q | 32.8 | Very low | 31.7 | Very low | 166 Ų | 166 | 131.1 Ų | 131.1 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | -144.6 | 176.2 | 170.7 | -143.5 | -156.1 | 4.4 | 0 | 0 | 109.3 | ||||
| 148 | P | 44.3 | Very low | 31.7 | Very low | 100 Ų | 100 | 131.1 Ų | 131.1 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | -141.3 | -156.9 | 70.8 | 42.3 | -22.2 | 0 | 0 | 0 | 111.1 | |||||
| 149 | D | 25.3 | Very low | 31.7 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 66% | 0.658 | 77% | 0.772 | S | S | * | * | cis | -163.2 | -178.5 | -1.6 | -134.1 | -2.1 | 0 | 0 | 0 | 107.6 | ||||
| 150 | L | 33.4 | Very low | 32.3 | Very low | 131 Ų | 131 | 125 Ų | 125 | 69% | 0.686 | 76% | 0.762 | S | S | * | * | cis | -156.7 | 154.3 | -12 | -170.7 | 66.7 | 0 | 0 | 0 | 107.3 | ||||
| 151 | V | 31.4 | Very low | 32.3 | Very low | 139 Ų | 139 | 125.7 Ų | 125.7 | 84% | 0.842 | 76% | 0.756 | S | S | * | * | trans | 62.9 | 131.1 | 171.8 | -156.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 152 | G | 27.4 | Very low | 32.3 | Very low | 53 Ų | 53 | 127.6 Ų | 127.6 | 55% | 0.546 | 76% | 0.759 | S | S | . | * | cis | 167.8 | 142.9 | -9.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 153 | H | 30.5 | Very low | 32.7 | Very low | 197 Ų | 197 | 127.2 Ų | 127.2 | 91% | 0.912 | 76% | 0.76 | S | S | * | * | trans | 38.4 | 137.9 | 144 | -59.7 | -49.3 | 0 | 0 | 0 | 121.9 | ||||
| 154 | R | 27.1 | Very low | 33.1 | Very low | 226 Ų | 226 | 128.3 Ų | 128.3 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | cis | -168.3 | 149.9 | 6.9 | 159.4 | 179.1 | -176.3 | 169.6 | 1 | 112.5 | ||||
| 155 | A | 28.3 | Very low | 32.4 | Very low | 82 Ų | 82 | 130.5 Ų | 130.5 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | trans | -4.1 | 153.4 | 156.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 156 | T | 28.1 | Very low | 31.6 | Very low | 132 Ų | 132 | 131.2 Ų | 131.2 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | -163.5 | 152.2 | 66.4 | -53.8 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 157 | A | 27.3 | Very low | 31.2 | Very low | 86 Ų | 86 | 128.8 Ų | 128.8 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | -100.6 | 161.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 158 | L | 29.5 | Very low | 31.6 | Very low | 168 Ų | 168 | 127.4 Ų | 127.4 | 88% | 0.88 | 77% | 0.772 | S | S | * | * | trans | -167.1 | 157.8 | 153 | -106.2 | 166.9 | 0 | 0 | 0 | 110.9 | ||||
| 159 | T | 29.1 | Very low | 31.1 | Very low | 124 Ų | 124 | 126.3 Ų | 126.3 | 76% | 0.761 | 78% | 0.778 | S | S | * | * | trans | -121.6 | 177 | 172.3 | 58.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 160 | P | 40.4 | Very low | 31.5 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | cis | -135.5 | -157.5 | 3.4 | 41 | -20.5 | 0 | 0 | 0 | 114.2 | ||||
| 161 | D | 25.1 | Very low | 31.6 | Very low | 148 Ų | 148 | 128.9 Ų | 128.9 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | 98.6 | 156.7 | 143.3 | -117 | -37.1 | 0 | 0 | 0 | 122.4 | ||||
| 162 | S | 26.3 | Very low | 31.8 | Very low | 105 Ų | 105 | 127.8 Ų | 127.8 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | 71.3 | 101.4 | 169.3 | -60.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 163 | C | 34.6 | Very low | 32.4 | Very low | 135 Ų | 135 | 132.6 Ų | 132.6 | 91% | 0.912 | 80% | 0.801 | S | S | * | * | trans | -113.6 | 133.4 | 155.9 | -71.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 164 | P | 34.9 | Very low | 32.5 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | trans | -130.6 | 116.3 | 156.4 | 27.7 | -9.6 | 0 | 0 | 0 | 114.2 | ||||
| 165 | L | 31.7 | Very low | 33.2 | Very low | 165 Ų | 165 | 127.4 Ų | 127.4 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | 35.8 | 117 | 141 | -61.9 | 169 | 0 | 0 | 0 | 120.6 | ||||
| 166 | P | 35.9 | Very low | 33.7 | Very low | 129 Ų | 129 | 133 Ų | 133 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 143.3 | 155.8 | -14.7 | 30.1 | 0 | 0 | 0 | 112.1 | ||
| 167 | G | 31.3 | Very low | 34.4 | Very low | 70 Ų | 70 | 134.7 Ų | 134.7 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 159.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 168 | P | 42.7 | Very low | 35.5 | Very low | 137 Ų | 137 | 134.5 Ų | 134.5 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -92 | 142.4 | -174.4 | 34.7 | -33.4 | 0 | 0 | 0 | 113.5 | ||
| 169 | G | 32.2 | Very low | 36.7 | Very low | 77 Ų | 77 | 136 Ų | 136 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | trans | 136.1 | 14.7 | 146.7 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 170 | E | 33.9 | Very low | 38 | Very low | 194 Ų | 194 | 135.9 Ų | 135.9 | 91% | 0.907 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 141.4 | 167.1 | -79.8 | -154.4 | 114.8 | 0 | 0 | 113.2 | ||
| 171 | P | 34.9 | Very low | 39 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 153.1 | 179.4 | 32.7 | -35.3 | 0 | 0 | 0 | 112.9 | ||
| 172 | P | 37.7 | Very low | 40.7 | Very low | 117 Ų | 117 | 128.2 Ų | 128.2 | 76% | 0.76 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 128.1 | -166.1 | 29.5 | -35.8 | 0 | 0 | 0 | 115.3 | R174 | P172-R174 PolarHBondContact O-N 2.97Š|
| 173 | L | 39.4 | Very low | 42.3 | Very low | 154 Ų | 154 | 129.8 Ų | 129.8 | 81% | 0.806 | 71% | 0.707 | S | S | * | * | trans | 40.3 | 68.5 | 132.5 | -162.1 | 73.3 | 0 | 0 | 0 | 117.7 | ||||
| 174 | R | 32.9 | Very low | 43.7 | Very low | 224 Ų | 224 | 128.1 Ų | 128.1 | 85% | 0.845 | 69% | 0.686 | S | S | * | * | trans | -107.9 | -31.3 | 159.1 | -78 | -170.7 | 169.8 | -163 | -3.5 | 114.6 | P172 R176 Q177 | P172-R174 PolarHBondContact O-N 2.97Å; R174-R176 VanDerWaalsContact C-N 3.26Å; R174-R176 PolarHBondContact O-N 3.43Å; R174-R176 VanDerWaalsContact O-N 3.07Å; R174-Q177 PolarHBondContact O-N 3.12Å | ||
| 175 | S | 40.6 | Very low | 45.4 | Very low | 90 Ų | 90 | 122.7 Ų | 122.7 | 63% | 0.629 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -56 | -29.1 | -171.6 | 177.9 | 0 | 0 | 0 | 0 | 115.5 | D178 R179 | S175-D178 PolarHBondContact O-N 2.94Å; S175-R179 PolarHBondContact O-N 3.03Å |
| 176 | R | 38.3 | Very low | 47 | Very low | 199 Ų | 199 | 119.2 Ų | 119.2 | 75% | 0.751 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -76.3 | -30.6 | -171.4 | -148.4 | 179.2 | -168.2 | -158.8 | 3.2 | 114.5 | R174 H180 | R174-R176 VanDerWaalsContact C-N 3.26Å; R174-R176 PolarHBondContact O-N 3.43Å; R174-R176 VanDerWaalsContact O-N 3.07Å; R176-H180 PolarHBondContact O-CD2 2.99Å |
| 177 | Q | 43.2 | Very low | 48.6 | Very low | 168 Ų | 168 | 115.1 Ų | 115.1 | 79% | 0.785 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -73.7 | -39.5 | 172.5 | -88.2 | 178 | -42.7 | 0 | 0 | 111.4 | R174 R179 H180 F181 | R174-Q177 PolarHBondContact O-N 3.12Å; Q177-R179 PolarHBondContact O-N 2.89Å; Q177-H180 PolarHBondContact O-N 3.09Å; Q177-H180 VanDerWaalsContact O-N 3.08Å; Q177-F181 PolarHBondContact O-N 2.95Å |
| 178 | D | 51.6 | Low | 50.6 | Low | 82 Ų | 82 | 119.7 Ų | 119.7 | 44% | 0.439 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -57.5 | -44.4 | -174.3 | -156 | 26 | 0 | 0 | 0 | 112.1 | S175 H180 F181 L182 | S175-D178 PolarHBondContact O-N 2.94Å; D178-H180 PolarHBondContact O-N 2.8Å; D178-F181 WeakPolarHBondContact O-CB 3.49Å; D178-F181 PolarHBondContact O-N 3.05Å; D178-L182 WeakPolarHBondContact O-CB 3.46Å; D178-L182 VanDerWaalsContact O-CG 3.24Å; D178-L182 WeakPolarHBondContact O-CG 3.32Å; D178-L182 PolarHBondContact O-N 2.83Å |
| 179 | R | 53.9 | Low | 52.6 | Low | 199 Ų | 199 | 113.3 Ų | 113.3 | 75% | 0.751 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -59.8 | -40 | 175.1 | -86.9 | -172.3 | 163.2 | -170.5 | -5.6 | 114.1 | S175 Q177 Q183 | S175-R179 PolarHBondContact O-N 3.03Å; Q177-R179 PolarHBondContact O-N 2.89Å; R179-Q183 WeakPolarHBondContact O-CB 3.49Å; R179-Q183 PolarHBondContact O-N 3.08Å; R179-Q183 VanDerWaalsContact O-N 3.09Å |
| 180 | H | 56.7 | Low | 55.3 | Low | 121 Ų | 121 | 111.6 Ų | 111.6 | 56% | 0.56 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -73.5 | -39.6 | 177.4 | -74.5 | -80 | 0 | 0 | 0 | 111.7 | R176 Q177 D178 L182 Q183 H184 | R176-H180 PolarHBondContact O-CD2 2.99Å; Q177-H180 PolarHBondContact O-N 3.09Å; Q177-H180 VanDerWaalsContact O-N 3.08Å; D178-H180 PolarHBondContact O-N 2.8Å; H180-L182 PolarHBondContact O-N 3.3Å; H180-Q183 PolarHBondContact O-N 3.42Å; H180-H184 PolarHBondContact O-CD2 2.94Å; H180-H184 PolarHBondContact O-N 3.26Å |
| 181 | F | 60.9 | Low | 58.1 | Low | 48 Ų | 48 | 106.2 Ų | 106.2 | 21% | 0.211 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -56.5 | -49.5 | 174.8 | -175.5 | -86.9 | 0 | 0 | 0 | 111.3 | Q177 D178 H184 L185 M190 T333 Q336 | Q177-F181 PolarHBondContact O-N 2.95Å; D178-F181 WeakPolarHBondContact O-CB 3.49Å; D178-F181 PolarHBondContact O-N 3.05Å; F181-H184 PolarHBondContact O-N 2.79Å; F181-L185 HydrophobicContact CD1-CD1 3.69Å; F181-L185 HydrophobicContact CE1-CD1 3.32Å; F181-L185 HydrophobicContact CZ-CD1 4.06Å; F181-L185 PolarHBondContact O-N 3.18Å; F181-L185 VanDerWaalsContact O-N 3.1Å; F181-M190 HydrophobicContact CD1-SD 4.4Å; F181-M190 HydrophobicContact CD2-CE 3.63Å; F181-M190 HydrophobicContact CD2-SD 3.5Å; F181-M190 WeakPolarHBondContact CD2-SD 3.36Å; F181-M190 HydrophobicContact CE1-SD 4.23Å; F181-M190 HydrophobicContact CE2-CE 3.51Å; F181-M190 HydrophobicContact CE2-SD 3.31Å; F181-M190 WeakPolarHBondContact CE2-SD 3.17Å; F181-M190 HydrophobicContact CG-SD 4.05Å; F181-M190 HydrophobicContact CZ-CE 4.42Å; F181-M190 HydrophobicContact CZ-SD 3.69Å; F181-T333 HydrophobicContact CZ-CG2 4Å; F181-Q336 VanDerWaalsContact CE1-OE1 3.28Å |
| 182 | L | 61.3 | Low | 60.9 | Low | 51 Ų | 51 | 102.2 Ų | 102.2 | 27% | 0.267 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 175.3 | -66.9 | 175.8 | 0 | 0 | 0 | 112.9 | D178 H180 H184 L185 L186 L340 | D178-L182 WeakPolarHBondContact O-CB 3.46Å; D178-L182 VanDerWaalsContact O-CG 3.24Å; D178-L182 WeakPolarHBondContact O-CG 3.32Å; D178-L182 PolarHBondContact O-N 2.83Å; H180-L182 PolarHBondContact O-N 3.3Å; L182-H184 VanDerWaalsContact C-N 3.33Å; L182-H184 PolarHBondContact O-N 3.01Å; L182-L185 PolarHBondContact O-N 2.9Å; L182-L186 WeakPolarHBondContact O-CB 3.43Å; L182-L186 WeakPolarHBondContact O-CG 3.47Å; L182-L186 PolarHBondContact O-N 2.7Å; L182-L340 HydrophobicContact CD2-CD1 3.57Å; L182-L340 HydrophobicContact CD2-CD2 3.72Å; L182-L340 HydrophobicContact CD2-CG 4.2Å |
| 183 | Q | 59.8 | Low | 63.6 | Low | 138 Ų | 138 | 101.4 Ų | 101.4 | 65% | 0.645 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.6 | -38.1 | 178 | -165.7 | 71 | 52.9 | 0 | 0 | 112.2 | R179 H180 G187 | R179-Q183 WeakPolarHBondContact O-CB 3.49Å; R179-Q183 PolarHBondContact O-N 3.08Å; R179-Q183 VanDerWaalsContact O-N 3.09Å; H180-Q183 PolarHBondContact O-N 3.42Å; Q183-G187 PolarHBondContact O-N 3.39Å |
| 184 | H | 63.4 | Low | 66.2 | Low | 100 Ų | 100 | 94.3 Ų | 94.3 | 46% | 0.463 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -70.8 | -40.6 | 175.9 | -76.8 | -66.3 | 0 | 0 | 0 | 112.5 | H180 F181 L182 L186 G187 G189 M190 | H180-H184 PolarHBondContact O-CD2 2.94Å; H180-H184 PolarHBondContact O-N 3.26Å; F181-H184 PolarHBondContact O-N 2.79Å; L182-H184 VanDerWaalsContact C-N 3.33Å; L182-H184 PolarHBondContact O-N 3.01Å; H184-L186 VanDerWaalsContact C-N 3.34Å; H184-L186 PolarHBondContact O-N 3.36Å; H184-G187 CarbonylContact O-C 3.56Å; H184-G187 PolarHBondContact O-N 2.87Å; H184-G189 VanDerWaalsContact O-CA 3.3Å; H184-G189 WeakPolarHBondContact O-CA 3.09Å; H184-G189 PolarHBondContact O-N 3.06Å; H184-M190 HydrophobicContact CB-CG 4.25Å |
| 185 | L | 71.3 | Confident | 69 | Low | 0 Ų | 0 | 86.5 Ų | 86.5 | 0% | 0 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.2 | -36.8 | 176.2 | -95 | 158.7 | 0 | 0 | 0 | 113.7 | F181 L182 G187 M190 I266 T268 T333 A337 L340 | F181-L185 HydrophobicContact CD1-CD1 3.69Å; F181-L185 HydrophobicContact CE1-CD1 3.32Å; F181-L185 HydrophobicContact CZ-CD1 4.06Å; F181-L185 PolarHBondContact O-N 3.18Å; F181-L185 VanDerWaalsContact O-N 3.1Å; L182-L185 PolarHBondContact O-N 2.9Å; L185-G187 VanDerWaalsContact C-N 3.33Å; L185-M190 HydrophobicContact CD1-SD 4.27Å; L185-M190 HydrophobicContact CG-CG 4.21Å; L185-M190 HydrophobicContact CG-SD 4.22Å; L185-I266 HydrophobicContact CD2-CG2 4.2Å; L185-T268 PolarHBondContact O-N 3.34Å; L185-T268 VanDerWaalsContact O-N 3.1Å; L185-T333 HydrophobicContact CD1-CG2 4.27Å; L185-T333 HydrophobicContact CD2-CG2 4.17Å; L185-T333 HydrophobicContact CG-CG2 4.47Å; L185-A337 HydrophobicContact CD2-CB 3.81Å; L185-L340 HydrophobicContact CB-CD1 4.23Å; L185-L340 HydrophobicContact CD1-CD1 4.05Å |
| 186 | L | 65 | Low | 71.6 | Confident | 93 Ų | 93 | 82.6 Ų | 82.6 | 49% | 0.487 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -11.7 | 178.2 | -71.8 | 166 | 0 | 0 | 0 | 114 | L182 H184 T268 | L182-L186 WeakPolarHBondContact O-CB 3.43Å; L182-L186 WeakPolarHBondContact O-CG 3.47Å; L182-L186 PolarHBondContact O-N 2.7Å; H184-L186 VanDerWaalsContact C-N 3.34Å; H184-L186 PolarHBondContact O-N 3.36Å; L186-T268 HydrophobicContact CD2-CG2 4.02Å |
| 187 | G | 69.9 | Low | 74.1 | Confident | 43 Ų | 43 | 73.1 Ų | 73.1 | 44% | 0.443 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | -117.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q183 H184 L185 G189 | Q183-G187 PolarHBondContact O-N 3.39Å; H184-G187 CarbonylContact O-C 3.56Å; H184-G187 PolarHBondContact O-N 2.87Å; L185-G187 VanDerWaalsContact C-N 3.33Å; G187-G189 PolarHBondContact O-N 3.01Å |
| 188 | M | 72.6 | Confident | 76.5 | Confident | 166 Ų | 166 | 65.1 Ų | 65.1 | 82% | 0.818 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -8.2 | -173.5 | -57.4 | 177.4 | 77.5 | 0 | 0 | 115.6 | T265 | M188-T265 WeakPolarHBondContact O-CG2 3.34Š|
| 189 | G | 84.4 | Confident | 78.4 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 3% | 0.031 | 31% | 0.305 | C | S | . | . | trans | 77.1 | 159.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | H184 G187 N191 I266 | H184-G189 VanDerWaalsContact O-CA 3.3Å; H184-G189 WeakPolarHBondContact O-CA 3.09Å; H184-G189 PolarHBondContact O-N 3.06Å; G187-G189 PolarHBondContact O-N 3.01Å; G189-N191 PolarHBondContact O-ND2 3.12Å; G189-N191 VanDerWaalsContact O-ND2 3.07Å; G189-I266 CarbonylContact C-O 3.55Å; G189-I266 WeakPolarHBondContact CA-O 3.08Å | ||
| 190 | M | 90.2 | Very high | 80.3 | Confident | 40 Ų | 40 | 52 Ų | 52 | 20% | 0.197 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 140.4 | 173.2 | -68.1 | -168.1 | 69.9 | 0 | 0 | 110.9 | F181 H184 L185 Y192 T265 I266 T333 | F181-M190 HydrophobicContact CD1-SD 4.4Å; F181-M190 HydrophobicContact CD2-CE 3.63Å; F181-M190 HydrophobicContact CD2-SD 3.5Å; F181-M190 WeakPolarHBondContact CD2-SD 3.36Å; F181-M190 HydrophobicContact CE1-SD 4.23Å; F181-M190 HydrophobicContact CE2-CE 3.51Å; F181-M190 HydrophobicContact CE2-SD 3.31Å; F181-M190 WeakPolarHBondContact CE2-SD 3.17Å; F181-M190 HydrophobicContact CG-SD 4.05Å; F181-M190 HydrophobicContact CZ-CE 4.42Å; F181-M190 HydrophobicContact CZ-SD 3.69Å; H184-M190 HydrophobicContact CB-CG 4.25Å; L185-M190 HydrophobicContact CD1-SD 4.27Å; L185-M190 HydrophobicContact CG-CG 4.21Å; L185-M190 HydrophobicContact CG-SD 4.22Å; M190-Y192 HydrophobicContact CB-CE2 3.73Å; M190-Y192 WeakPolarHBondContact CE-OH 3.36Å; M190-T265 CarbonylContact O-C 3.52Å; M190-T265 WeakPolarHBondContact O-CA 3.49Å; M190-I266 PolarHBondContact N-O 2.71Å; M190-I266 PolarHBondContact O-N 2.86Å; M190-T333 HydrophobicContact CB-CG2 4.27Å; M190-T333 HydrophobicContact CG-CG2 4.47Å; M190-T333 HydrophobicContact SD-CG2 3.78Å |
| 191 | N | 93 | Very high | 82 | Confident | 81 Ų | 81 | 49.7 Ų | 49.7 | 43% | 0.433 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 125.8 | -167.9 | -68 | -84.9 | 0 | 0 | 0 | 111.3 | G189 K263 L264 T265 | G189-N191 PolarHBondContact O-ND2 3.12Å; G189-N191 VanDerWaalsContact O-ND2 3.07Å; N191-K263 HydrophobicContact CB-CG 4.5Å; N191-K263 WeakPolarHBondContact OD1-CE 3.36Å; N191-L264 CarbonylContact C-O 3.52Å; N191-L264 WeakPolarHBondContact CA-O 3.44Å; N191-T265 PolarHBondContact OD1-OG1 2.94Å |
| 192 | Y | 93.3 | Very high | 83.6 | Confident | 30 Ų | 30 | 47.6 Ų | 47.6 | 12% | 0.118 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 130.9 | -177.3 | -61.4 | -96.1 | 0 | 0 | 0 | 110.6 | M190 K263 L264 I266 V330 T333 | M190-Y192 HydrophobicContact CB-CE2 3.73Å; M190-Y192 WeakPolarHBondContact CE-OH 3.36Å; Y192-K263 WeakPolarHBondContact O-CA 3.35Å; Y192-L264 PolarHBondContact N-O 2.87Å; Y192-L264 PolarHBondContact O-N 3.08Å; Y192-I266 HydrophobicContact CD2-CD1 3.7Å; Y192-I266 HydrophobicContact CD2-CG1 4.07Å; Y192-I266 HydrophobicContact CE2-CD1 3.53Å; Y192-I266 HydrophobicContact CE2-CG1 4.11Å; Y192-V330 HydrophobicContact CD1-CG2 3.52Å; Y192-V330 HydrophobicContact CD2-CG2 4.3Å; Y192-V330 HydrophobicContact CE1-CG2 3.97Å; Y192-V330 HydrophobicContact CG-CG2 3.72Å; Y192-T333 HydrophobicContact CE2-CG2 4.26Å; Y192-T333 PolarHBondContact OH-OG1 3.21Å |
| 193 | C | 93.1 | Very high | 85 | Confident | 100 Ų | 100 | 50 Ų | 50 | 68% | 0.676 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 110.6 | 171.1 | -62.2 | 0 | 0 | 0 | 0 | 109.1 | I262 L276 | C193-I262 WeakPolarHBondContact CA-O 3.45Å; C193-L276 HydrophobicContact CB-CD1 4.31Å |
| 194 | V | 93.9 | Very high | 86.4 | Confident | 5 Ų | 5 | 47.3 Ų | 47.3 | 3% | 0.03 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 156.5 | -175.1 | -58.1 | 0 | 0 | 0 | 0 | 109.5 | I262 L264 L320 C322 | V194-I262 HydrophobicContact CG2-CD1 4.09Å; V194-I262 HydrophobicContact CG2-CG1 3.68Å; V194-I262 PolarHBondContact N-O 3.07Å; V194-I262 VanDerWaalsContact O-CG1 3.29Å; V194-I262 WeakPolarHBondContact O-CG1 3.17Å; V194-I262 PolarHBondContact O-N 2.82Å; V194-L264 HydrophobicContact CG2-CB 3.97Å; V194-L320 HydrophobicContact CG2-CB 4.41Å; V194-L320 HydrophobicContact CG2-CD1 4.34Å; V194-L320 HydrophobicContact CG2-CD2 4.12Å; V194-C322 HydrophobicContact CG1-CB 4.22Å; V194-C322 VanDerWaalsContact CG1-SG 3.51Å |
| 195 | R | 93 | Very high | 87.7 | Confident | 59 Ų | 59 | 44.8 Ų | 44.8 | 22% | 0.223 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 125.5 | 176.3 | -168.2 | -177.4 | -66.2 | 139.9 | -5.9 | 110.5 | M197 G259 M260 N261 L320 E321 H323 | R195-M197 HydrophobicContact CB-CE 4.12Å; R195-M197 VanDerWaalsContact CD-CE 3.47Å; R195-M197 HydrophobicContact CG-CE 3.63Å; R195-M197 PolarHBondContact O-N 3.2Å; R195-G259 VanDerWaalsContact CD-O 3.27Å; R195-G259 WeakPolarHBondContact CD-O 3.24Å; R195-G259 VanDerWaalsContact CG-O 3.31Å; R195-G259 WeakPolarHBondContact CG-O 3.36Å; R195-M260 CarbonylContact C-O 3.46Å; R195-M260 WeakPolarHBondContact CA-O 3.24Å; R195-M260 WeakPolarHBondContact CG-O 3.47Å; R195-N261 PolarHBondContact NE-OD1 3.5Å; R195-N261 VanDerWaalsContact NE-OD1 3.14Å; R195-L320 WeakPolarHBondContact O-CA 3.36Å; R195-E321 HydrophobicContact CB-CB 4.25Å; R195-E321 WeakPolarHBondContact CD-OE2 3.38Å; R195-E321 IonicContact CZ-OE2 3.59Å; R195-E321 PolarHBondContact N-O 3.35Å; R195-E321 IonicContact NE-OE2 3.83Å; R195-E321 IonicContact NH1-OE1 3.73Å; R195-E321 IonicContact NH1-OE2 3.24Å; R195-E321 PolarHBondContact NH1-OE2 3.1Å; R195-E321 PolarHBondContact O-N 3.25Å; R195-H323 PolarHBondContact NH1-CE1 3.4Å; R195-H323 VanDerWaalsContact NH1-CE1 3.32Å; R195-H323 PolarHBondContact NH1-NE2 2.82Å |
| 196 | Y | 93.8 | Very high | 88.6 | Confident | 9 Ų | 9 | 44.9 Ų | 44.9 | 4% | 0.035 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 119.7 | 176.1 | -171.9 | -111.6 | 0 | 0 | 0 | 109.5 | F257 G259 M260 I262 L273 H318 L320 | Y196-F257 HydrophobicContact CD1-CB 3.89Å; Y196-F257 WeakPolarHBondContact CD1-O 3.12Å; Y196-F257 HydrophobicContact CE1-CB 4.08Å; Y196-G259 PolarHBondContact O-N 2.82Å; Y196-M260 PolarHBondContact N-O 3.49Å; Y196-I262 HydrophobicContact CD2-CD1 4.26Å; Y196-L273 HydrophobicContact CD2-CD2 3.67Å; Y196-L273 HydrophobicContact CE2-CD2 3.58Å; Y196-H318 HydrophobicContact CE2-CB 4.22Å; Y196-H318 AromaticContact CZ-ND1 3.94Å; Y196-H318 PolarHBondContact OH-ND1 3.46Å; Y196-L320 HydrophobicContact CD2-CD2 3.75Å |
| 197 | M | 92.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | -20.1 | 178.1 | -66.9 | -72.8 | 99.9 | 0 | 0 | 112.3 | R195 L225 V229 A232 S258 Y303 I319 E321 | R195-M197 HydrophobicContact CB-CE 4.12Å; R195-M197 VanDerWaalsContact CD-CE 3.47Å; R195-M197 HydrophobicContact CG-CE 3.63Å; R195-M197 PolarHBondContact O-N 3.2Å; M197-L225 HydrophobicContact CB-CD2 3.6Å; M197-L225 HydrophobicContact CB-CG 4.29Å; M197-L225 WeakPolarHBondContact O-CD2 3.5Å; M197-V229 WeakPolarHBondContact O-CG2 3.4Å; M197-V229 HydrophobicContact SD-CG1 4.34Å; M197-A232 HydrophobicContact SD-CB 3.72Å; M197-S258 WeakPolarHBondContact O-CB 3.48Å; M197-Y303 HydrophobicContact CG-CD1 4.43Å; M197-Y303 HydrophobicContact CG-CE1 4.09Å; M197-Y303 HydrophobicContact SD-CE1 4.14Å; M197-I319 HydrophobicContact CB-CB 4.24Å; M197-I319 HydrophobicContact CB-CG2 3.93Å; M197-I319 HydrophobicContact CG-CG2 4.06Å; M197-I319 PolarHBondContact N-O 3.13Å; M197-E321 HydrophobicContact CE-CB 3.9Å; M197-E321 WeakPolarHBondContact CE-OE2 3.25Å; M197-E321 HydrophobicContact CG-CB 4.07Å; M197-E321 HydrophobicContact SD-CB 4.17Å |
| 198 | G | 92.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 119.8 | -164.4 | -169.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I319 | G198-I319 PolarHBondContact O-N 3.27Å; G198-I319 VanDerWaalsContact O-N 3.11Å |
| 199 | C | 92.7 | Very high | 91.5 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.014 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 163.1 | 173.6 | 61.6 | 0 | 0 | 0 | 0 | 112.9 | S253 N254 A316 C317 H318 | C199-S253 WeakPolarHBondContact O-CA 3.27Å; C199-N254 PolarHBondContact N-O 3.39Å; C199-N254 VanDerWaalsContact N-O 3.09Å; C199-N254 PolarHBondContact O-N 2.99Å; C199-A316 HydrophobicContact CB-CB 4.14Å; C199-C317 CarbonylContact C-O 3.6Å; C199-C317 WeakPolarHBondContact CA-O 3.36Å; C199-C317 VanDerWaalsContact CB-O 3.27Å; C199-C317 WeakPolarHBondContact CB-O 3.5Å; C199-H318 HydrophobicContact CB-CB 4.33Å |
| 200 | I | 93.1 | Very high | 91.7 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 128.4 | 175.7 | -54.9 | -172.5 | 0 | 0 | 0 | 109.1 | A221 R224 L225 L250 K252 A316 C317 | I200-A221 HydrophobicContact CD1-CB 4.14Å; I200-A221 WeakPolarHBondContact CD1-O 3.49Å; I200-R224 HydrophobicContact CD1-CB 3.92Å; I200-L225 HydrophobicContact CD1-CB 4.38Å; I200-L225 HydrophobicContact CD1-CD1 4.1Å; I200-L225 HydrophobicContact CG1-CD1 3.89Å; I200-L250 HydrophobicContact CG2-CB 4.22Å; I200-L250 HydrophobicContact CG2-CD2 4.09Å; I200-K252 WeakPolarHBondContact CA-O 3.42Å; I200-A316 CarbonylContact O-C 3.54Å; I200-A316 WeakPolarHBondContact O-CA 3.11Å; I200-C317 PolarHBondContact N-O 2.81Å; I200-C317 PolarHBondContact O-N 2.86Å |
| 201 | E | 92.7 | Very high | 91.7 | Very high | 71 Ų | 71 | 53.7 Ų | 53.7 | 33% | 0.332 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 136.2 | 174.6 | 179.7 | -177.7 | -147.4 | 0 | 0 | 111.3 | L203 G251 K252 | E201-L203 HydrophobicContact CG-CD2 3.89Å; E201-G251 PolarHBondContact O-N 2.82Å; E201-K252 WeakPolarHBondContact CB-O 3.29Å; E201-K252 PolarHBondContact N-O 2.91Å; E201-K252 PolarHBondContact OE2-N 3.02Å |
| 202 | V | 93.8 | Very high | 91.6 | Very high | 5 Ų | 5 | 52.2 Ų | 52.2 | 3% | 0.03 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 110.1 | 178 | -161.1 | 0 | 0 | 0 | 0 | 109.9 | M206 V217 V249 L250 V307 R315 C317 | V202-M206 HydrophobicContact CG1-SD 4.47Å; V202-V217 HydrophobicContact CG1-CG1 4.4Å; V202-V249 CarbonylContact C-O 3.57Å; V202-V249 WeakPolarHBondContact CA-O 3.43Å; V202-V249 HydrophobicContact CG1-CG1 3.93Å; V202-V249 WeakPolarHBondContact CG1-O 3.29Å; V202-L250 HydrophobicContact CG2-CD2 4.22Å; V202-V307 HydrophobicContact CG2-CG1 4.11Å; V202-R315 PolarHBondContact N-O 2.77Å; V202-R315 PolarHBondContact O-NH1 2.97Å; V202-C317 HydrophobicContact CG2-CB 3.76Å |
| 203 | L | 91.6 | Very high | 91.5 | Very high | 101 Ų | 101 | 52 Ų | 52 | 53% | 0.529 | 27% | 0.273 | S | S | . | . | trans | -77.6 | -43.1 | -169 | -57.3 | 174.5 | 0 | 0 | 0 | 112.4 | E201 V249 | E201-L203 HydrophobicContact CG-CD2 3.89Å; L203-V249 PolarHBondContact N-O 2.88Å | ||
| 204 | Q | 89.6 | Confident | 91.4 | Very high | 82 Ų | 82 | 50.4 Ų | 50.4 | 38% | 0.383 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -99.2 | 136.6 | -179.7 | -169.7 | -179.5 | 10.7 | 0 | 0 | 111.4 | L209 V249 R315 | Q204-L209 HydrophobicContact CG-CD2 4.39Å; Q204-V249 HydrophobicContact CB-CG1 4.32Å; Q204-V249 HydrophobicContact CB-CG2 4.43Å; Q204-R315 VanDerWaalsContact C-NH1 3.26Å; Q204-R315 PolarHBondContact O-NH1 3.11Å; Q204-R315 PolarHBondContact O-NH2 2.95Å |
| 205 | S | 89.7 | Confident | 91.3 | Very high | 47 Ų | 47 | 51.5 Ų | 51.5 | 33% | 0.329 | 26% | 0.26 | S | S | . | . | trans | -58.5 | 137.6 | -173.6 | -178.7 | 0 | 0 | 0 | 0 | 114.3 | R207 S208 | S205-R207 PolarHBondContact O-N 2.83Å; S205-R207 PolarHBondContact OG-N 3.15Å; S205-S208 PolarHBondContact O-N 3.46Å; S205-S208 PolarHBondContact O-OG 2.95Å | ||
| 206 | M | 90.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -61.2 | -29.9 | 176 | -62.8 | -48.4 | -85.6 | 0 | 0 | 111.7 | V202 S208 L209 R214 S291 F292 V307 R315 | V202-M206 HydrophobicContact CG1-SD 4.47Å; M206-S208 VanDerWaalsContact C-N 3.29Å; M206-S208 PolarHBondContact O-N 2.89Å; M206-L209 PolarHBondContact O-N 3.45Å; M206-L209 HydrophobicContact SD-CD1 4.45Å; M206-R214 HydrophobicContact CE-CB 3.65Å; M206-R214 HydrophobicContact CE-CG 3.75Å; M206-R214 VanDerWaalsContact O-CZ 3.28Å; M206-R214 PolarHBondContact O-NE 2.9Å; M206-R214 PolarHBondContact O-NH2 3.11Å; M206-S291 WeakPolarHBondContact CG-OG 3.38Å; M206-F292 HydrophobicContact CB-CB 4.35Å; M206-F292 HydrophobicContact CE-CB 3.66Å; M206-F292 HydrophobicContact CE-CD1 3.4Å; M206-F292 VanDerWaalsContact CE-CD1 3.4Å; M206-F292 HydrophobicContact CE-CE1 4.14Å; M206-F292 HydrophobicContact CE-CG 3.64Å; M206-F292 HydrophobicContact CG-CB 3.93Å; M206-V307 HydrophobicContact CE-CG2 3.95Å; M206-V307 HydrophobicContact CG-CB 4.09Å; M206-V307 HydrophobicContact CG-CG1 3.9Å; M206-V307 HydrophobicContact CG-CG2 4.34Å; M206-V307 HydrophobicContact SD-CB 4.41Å; M206-V307 HydrophobicContact SD-CG1 4.18Å; M206-V307 HydrophobicContact SD-CG2 4.06Å; M206-R315 PolarHBondContact SD-NH2 3.24Å |
| 207 | R | 88.4 | Confident | 91.1 | Very high | 204 Ų | 204 | 52.2 Ų | 52.2 | 77% | 0.77 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -72.4 | -20.2 | -177.7 | -65.4 | -167.5 | -67.9 | -97.1 | 4.9 | 113.6 | S205 | S205-R207 PolarHBondContact O-N 2.83Å; S205-R207 PolarHBondContact OG-N 3.15Å |
| 208 | S | 89 | Confident | 91.1 | Very high | 73 Ų | 73 | 52.2 Ų | 52.2 | 51% | 0.51 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -99.4 | 13.2 | 176.3 | 62 | 0 | 0 | 0 | 0 | 113.3 | S205 M206 | S205-S208 PolarHBondContact O-N 3.46Å; S205-S208 PolarHBondContact O-OG 2.95Å; M206-S208 VanDerWaalsContact C-N 3.29Å; M206-S208 PolarHBondContact O-N 2.89Å |
| 209 | L | 89.9 | Confident | 91 | Very high | 14 Ų | 14 | 57.4 Ų | 57.4 | 7% | 0.073 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -115.8 | 144.1 | 175.8 | -61.5 | 175.4 | 0 | 0 | 0 | 109.2 | Q204 M206 M213 R214 V217 V249 | Q204-L209 HydrophobicContact CG-CD2 4.39Å; M206-L209 PolarHBondContact O-N 3.45Å; M206-L209 HydrophobicContact SD-CD1 4.45Å; L209-M213 HydrophobicContact CB-CB 4.36Å; L209-M213 HydrophobicContact CB-CG 4.1Å; L209-M213 HydrophobicContact CD1-CG 4.45Å; L209-M213 HydrophobicContact CD2-CE 4.28Å; L209-M213 HydrophobicContact CD2-CG 3.88Å; L209-M213 HydrophobicContact CG-CG 4.36Å; L209-R214 HydrophobicContact CB-CG 3.96Å; L209-R214 PolarHBondContact O-NE 3.14Å; L209-R214 PolarHBondContact O-NH2 3.08Å; L209-V217 HydrophobicContact CD1-CG2 4.36Å; L209-V249 HydrophobicContact CD1-CG1 3.99Å |
| 210 | D | 90.7 | Very high | 90.9 | Very high | 94 Ų | 94 | 58.3 Ų | 58.3 | 50% | 0.503 | 29% | 0.29 | S | S | . | . | trans | -65.1 | 157.2 | 171.7 | -70.4 | -46.4 | 0 | 0 | 0 | 112.4 | G212 M213 R214 | D210-G212 VanDerWaalsContact C-N 3.32Å; D210-G212 PolarHBondContact O-N 3.38Å; D210-M213 HydrophobicContact CB-CB 4.33Å; D210-M213 CarbonylContact O-C 3.18Å; D210-M213 WeakPolarHBondContact O-CA 3.45Å; D210-M213 WeakPolarHBondContact O-CB 3.48Å; D210-M213 PolarHBondContact O-N 2.82Å; D210-R214 WeakPolarHBondContact O-CG 3.36Å; D210-R214 PolarHBondContact O-N 2.91Å | ||
| 211 | F | 89.6 | Confident | 90.9 | Very high | 145 Ų | 145 | 58.1 Ų | 58.1 | 64% | 0.636 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -55.3 | -45 | -179.8 | 179.6 | -99.8 | 0 | 0 | 0 | 112.8 | M213 R214 T215 F292 | F211-M213 VanDerWaalsContact C-N 3.33Å; F211-M213 PolarHBondContact O-N 2.74Å; F211-R214 PolarHBondContact O-N 3.37Å; F211-T215 PolarHBondContact O-N 3.46Å; F211-T215 VanDerWaalsContact O-N 3.1Å; F211-T215 PolarHBondContact O-OG1 2.91Å; F211-F292 HydrophobicContact CD2-CE2 4.22Å; F211-F292 HydrophobicContact CE2-CE2 4.08Å; F211-F292 HydrophobicContact CE2-CZ 4.38Å |
| 212 | G | 90.7 | Very high | 90.8 | Very high | 50 Ų | 50 | 54.8 Ų | 54.8 | 52% | 0.515 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.4 | -40.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D210 T215 Q216 | D210-G212 VanDerWaalsContact C-N 3.32Å; D210-G212 PolarHBondContact O-N 3.38Å; G212-T215 PolarHBondContact O-N 3.35Å; G212-Q216 WeakPolarHBondContact O-CB 3.46Å; G212-Q216 PolarHBondContact O-N 3.45Å |
| 213 | M | 91.2 | Very high | 90.6 | Very high | 26 Ų | 26 | 57.5 Ų | 57.5 | 13% | 0.128 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.5 | -40.3 | 176.6 | -178.5 | 62.3 | 177.3 | 0 | 0 | 111.8 | L209 D210 F211 T215 Q216 V217 F245 L246 V249 | L209-M213 HydrophobicContact CB-CB 4.36Å; L209-M213 HydrophobicContact CB-CG 4.1Å; L209-M213 HydrophobicContact CD1-CG 4.45Å; L209-M213 HydrophobicContact CD2-CE 4.28Å; L209-M213 HydrophobicContact CD2-CG 3.88Å; L209-M213 HydrophobicContact CG-CG 4.36Å; D210-M213 HydrophobicContact CB-CB 4.33Å; D210-M213 CarbonylContact O-C 3.18Å; D210-M213 WeakPolarHBondContact O-CA 3.45Å; D210-M213 WeakPolarHBondContact O-CB 3.48Å; D210-M213 PolarHBondContact O-N 2.82Å; F211-M213 VanDerWaalsContact C-N 3.33Å; F211-M213 PolarHBondContact O-N 2.74Å; M213-T215 PolarHBondContact O-N 2.79Å; M213-Q216 PolarHBondContact O-N 2.97Å; M213-V217 HydrophobicContact CE-CG2 4.14Å; M213-V217 WeakPolarHBondContact O-CB 3.34Å; M213-V217 VanDerWaalsContact O-CG2 3.24Å; M213-V217 WeakPolarHBondContact O-CG2 3.4Å; M213-V217 PolarHBondContact O-N 3.29Å; M213-V217 HydrophobicContact SD-CG2 4.45Å; M213-F245 HydrophobicContact CE-CD1 3.77Å; M213-F245 HydrophobicContact CE-CE1 3.38Å; M213-F245 HydrophobicContact CE-CZ 4.21Å; M213-F245 HydrophobicContact SD-CD1 4.27Å; M213-F245 HydrophobicContact SD-CE1 3.9Å; M213-L246 HydrophobicContact CE-CD2 3.65Å; M213-L246 HydrophobicContact SD-CD2 3.89Å; M213-V249 HydrophobicContact CE-CG2 3.87Å |
| 214 | R | 91.7 | Very high | 90.5 | Very high | 66 Ų | 66 | 55.5 Ų | 55.5 | 25% | 0.249 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.5 | -47.2 | 173.6 | -65.4 | 172.5 | -152.9 | -177.6 | 3.2 | 111.6 | M206 L209 D210 F211 Q216 V217 T218 F292 | M206-R214 HydrophobicContact CE-CB 3.65Å; M206-R214 HydrophobicContact CE-CG 3.75Å; M206-R214 VanDerWaalsContact O-CZ 3.28Å; M206-R214 PolarHBondContact O-NE 2.9Å; M206-R214 PolarHBondContact O-NH2 3.11Å; L209-R214 HydrophobicContact CB-CG 3.96Å; L209-R214 PolarHBondContact O-NE 3.14Å; L209-R214 PolarHBondContact O-NH2 3.08Å; D210-R214 WeakPolarHBondContact O-CG 3.36Å; D210-R214 PolarHBondContact O-N 2.91Å; F211-R214 PolarHBondContact O-N 3.37Å; R214-Q216 VanDerWaalsContact C-N 3.33Å; R214-Q216 PolarHBondContact O-N 3.27Å; R214-V217 PolarHBondContact O-N 2.7Å; R214-T218 PolarHBondContact O-N 3.35Å; R214-T218 PolarHBondContact O-OG1 3.29Å; R214-F292 HydrophobicContact CB-CD1 4.17Å; R214-F292 HydrophobicContact CB-CD2 4.26Å; R214-F292 HydrophobicContact CB-CE1 3.75Å; R214-F292 HydrophobicContact CB-CE2 3.86Å; R214-F292 HydrophobicContact CB-CG 4.4Å; R214-F292 HydrophobicContact CB-CZ 3.58Å; R214-F292 HydrophobicContact CG-CE2 4.49Å |
| 215 | T | 91.6 | Very high | 90.4 | Very high | 29 Ų | 29 | 51.6 Ų | 51.6 | 18% | 0.178 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.9 | -33.2 | 178 | -55.5 | 0 | 0 | 0 | 0 | 112.1 | F211 G212 M213 T218 R219 | F211-T215 PolarHBondContact O-N 3.46Å; F211-T215 VanDerWaalsContact O-N 3.1Å; F211-T215 PolarHBondContact O-OG1 2.91Å; G212-T215 PolarHBondContact O-N 3.35Å; M213-T215 PolarHBondContact O-N 2.79Å; T215-T218 WeakPolarHBondContact CA-OG1 3.31Å; T215-T218 PolarHBondContact O-OG1 3.32Å; T215-T218 VanDerWaalsContact O-OG1 3.09Å; T215-R219 WeakPolarHBondContact O-CB 3.49Å; T215-R219 PolarHBondContact O-N 2.93Å |
| 216 | Q | 90.6 | Very high | 90.3 | Very high | 82 Ų | 82 | 50.8 Ų | 50.8 | 38% | 0.383 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -70.6 | -36.9 | 173.4 | -162.1 | -177.6 | -0.3 | 0 | 0 | 112.1 | G212 M213 R214 R219 E220 L246 | G212-Q216 WeakPolarHBondContact O-CB 3.46Å; G212-Q216 PolarHBondContact O-N 3.45Å; M213-Q216 PolarHBondContact O-N 2.97Å; R214-Q216 VanDerWaalsContact C-N 3.33Å; R214-Q216 PolarHBondContact O-N 3.27Å; Q216-R219 PolarHBondContact O-N 3.41Å; Q216-E220 WeakPolarHBondContact O-CB 3.45Å; Q216-E220 PolarHBondContact O-N 3.07Å; Q216-L246 HydrophobicContact CG-CD1 3.87Å |
| 217 | V | 92.2 | Very high | 90 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.4 | -44 | 174.8 | 167.9 | 0 | 0 | 0 | 0 | 111.3 | V202 L209 M213 R214 A221 L246 V249 L250 | V202-V217 HydrophobicContact CG1-CG1 4.4Å; L209-V217 HydrophobicContact CD1-CG2 4.36Å; M213-V217 HydrophobicContact CE-CG2 4.14Å; M213-V217 WeakPolarHBondContact O-CB 3.34Å; M213-V217 VanDerWaalsContact O-CG2 3.24Å; M213-V217 WeakPolarHBondContact O-CG2 3.4Å; M213-V217 PolarHBondContact O-N 3.29Å; M213-V217 HydrophobicContact SD-CG2 4.45Å; R214-V217 PolarHBondContact O-N 2.7Å; V217-A221 VanDerWaalsContact O-CB 3.29Å; V217-A221 WeakPolarHBondContact O-CB 3.22Å; V217-A221 PolarHBondContact O-N 3.1Å; V217-L246 HydrophobicContact CG2-CD2 3.9Å; V217-V249 HydrophobicContact CG1-CG1 3.99Å; V217-V249 HydrophobicContact CG2-CB 4.28Å; V217-V249 HydrophobicContact CG2-CG1 3.76Å; V217-L250 HydrophobicContact CG1-CD2 3.77Å; V217-L250 HydrophobicContact CG1-CG 4.14Å |
| 218 | T | 92.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.2 | -38.7 | 174.6 | 49.8 | 0 | 0 | 0 | 0 | 112.3 | R214 T215 A221 I222 F292 A305 V307 | R214-T218 PolarHBondContact O-N 3.35Å; R214-T218 PolarHBondContact O-OG1 3.29Å; T215-T218 WeakPolarHBondContact CA-OG1 3.31Å; T215-T218 PolarHBondContact O-OG1 3.32Å; T215-T218 VanDerWaalsContact O-OG1 3.09Å; T218-A221 PolarHBondContact O-N 2.88Å; T218-I222 VanDerWaalsContact O-CG1 3.32Å; T218-I222 WeakPolarHBondContact O-CG1 3.27Å; T218-I222 PolarHBondContact O-N 3Å; T218-F292 HydrophobicContact CG2-CD1 3.79Å; T218-F292 HydrophobicContact CG2-CE1 3.79Å; T218-A305 HydrophobicContact CG2-CB 4.17Å; T218-V307 HydrophobicContact CG2-CG2 4.4Å |
| 219 | R | 89.9 | Confident | 89.5 | Confident | 108 Ų | 108 | 46.2 Ų | 46.2 | 41% | 0.408 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.6 | -50 | 175.2 | 178.4 | -175.5 | -56.1 | -124.3 | -4.1 | 112.9 | T215 Q216 A221 I222 S223 D297 | T215-R219 WeakPolarHBondContact O-CB 3.49Å; T215-R219 PolarHBondContact O-N 2.93Å; Q216-R219 PolarHBondContact O-N 3.41Å; R219-A221 VanDerWaalsContact C-N 3.3Å; R219-A221 PolarHBondContact O-N 3.47Å; R219-I222 PolarHBondContact O-N 2.78Å; R219-S223 PolarHBondContact O-N 3.01Å; R219-D297 WeakPolarHBondContact CD-OD1 3.39Å; R219-D297 WeakPolarHBondContact CD-OD2 3.39Å; R219-D297 WeakPolarHBondContact CG-OD1 3.33Å; R219-D297 WeakPolarHBondContact CG-OD2 3.47Å; R219-D297 IonicContact CZ-OD1 2.7Å; R219-D297 IonicContact CZ-OD2 2.87Å; R219-D297 IonicContact NE-OD1 2.92Å; R219-D297 PolarHBondContact NE-OD1 3.42Å; R219-D297 IonicContact NE-OD2 2.66Å; R219-D297 PolarHBondContact NE-OD2 2.91Å; R219-D297 IonicContact NH1-OD1 2.84Å; R219-D297 PolarHBondContact NH1-OD1 3.01Å; R219-D297 IonicContact NH1-OD2 3.87Å; R219-D297 PolarHBondContact NH1-OD2 3.21Å; R219-D297 IonicContact NH2-OD1 3.93Å; R219-D297 PolarHBondContact NH2-OD1 3.3Å; R219-D297 VanDerWaalsContact NH2-OD1 3.08Å; R219-D297 IonicContact NH2-OD2 3.04Å |
| 220 | E | 90.2 | Very high | 88.4 | Confident | 21 Ų | 21 | 51.5 Ų | 51.5 | 10% | 0.098 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.7 | -37.8 | 175.1 | 173.8 | 86.8 | -170.1 | 0 | 0 | 110.9 | Q216 S223 R224 P242 V243 L246 L250 | Q216-E220 WeakPolarHBondContact O-CB 3.45Å; Q216-E220 PolarHBondContact O-N 3.07Å; E220-S223 PolarHBondContact O-N 3.45Å; E220-R224 WeakPolarHBondContact O-CB 3.35Å; E220-R224 WeakPolarHBondContact O-CG 3.36Å; E220-R224 PolarHBondContact O-N 2.92Å; E220-R224 IonicContact OE1-CZ 3.2Å; E220-R224 IonicContact OE1-NE 2.79Å; E220-R224 PolarHBondContact OE1-NE 3.48Å; E220-R224 IonicContact OE1-NH2 2.74Å; E220-R224 PolarHBondContact OE1-NH2 3.45Å; E220-P242 VanDerWaalsContact OE1-CB 3.24Å; E220-P242 WeakPolarHBondContact OE1-CB 3.44Å; E220-V243 PolarHBondContact OE2-N 3.26Å; E220-L246 HydrophobicContact CB-CD1 3.54Å; E220-L246 HydrophobicContact CG-CB 3.95Å; E220-L246 HydrophobicContact CG-CD1 3.7Å; E220-L246 HydrophobicContact CG-CG 4.48Å; E220-L250 HydrophobicContact CB-CD1 4.04Å; E220-L250 HydrophobicContact CG-CD1 3.63Å |
| 221 | A | 92 | Very high | 87.3 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64 | -45.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I200 V217 T218 R219 R224 L225 L250 I319 | I200-A221 HydrophobicContact CD1-CB 4.14Å; I200-A221 WeakPolarHBondContact CD1-O 3.49Å; V217-A221 VanDerWaalsContact O-CB 3.29Å; V217-A221 WeakPolarHBondContact O-CB 3.22Å; V217-A221 PolarHBondContact O-N 3.1Å; T218-A221 PolarHBondContact O-N 2.88Å; R219-A221 VanDerWaalsContact C-N 3.3Å; R219-A221 PolarHBondContact O-N 3.47Å; A221-R224 PolarHBondContact O-N 3.37Å; A221-L225 WeakPolarHBondContact O-CB 3.34Å; A221-L225 PolarHBondContact O-N 3.04Å; A221-L225 VanDerWaalsContact O-N 3.08Å; A221-L250 HydrophobicContact CB-CD1 4.02Å; A221-L250 HydrophobicContact CB-CD2 4.03Å; A221-I319 HydrophobicContact CB-CD1 3.99Å; A221-I319 WeakPolarHBondContact O-CD1 3.34Å |
| 222 | I | 91.9 | Very high | 86.2 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.1 | -51.8 | 172.8 | -67.2 | 162.8 | 0 | 0 | 0 | 109.5 | T218 R219 R224 L225 C226 Y303 A305 I319 | T218-I222 VanDerWaalsContact O-CG1 3.32Å; T218-I222 WeakPolarHBondContact O-CG1 3.27Å; T218-I222 PolarHBondContact O-N 3Å; R219-I222 PolarHBondContact O-N 2.78Å; I222-R224 PolarHBondContact O-N 3.28Å; I222-L225 PolarHBondContact O-N 3.28Å; I222-L225 VanDerWaalsContact O-N 3.11Å; I222-C226 PolarHBondContact O-N 2.74Å; I222-C226 PolarHBondContact O-SG 2.8Å; I222-Y303 HydrophobicContact CG2-CD1 4.05Å; I222-Y303 HydrophobicContact CG2-CD2 4.5Å; I222-Y303 HydrophobicContact CG2-CG 3.9Å; I222-A305 HydrophobicContact CD1-CB 3.98Å; I222-A305 HydrophobicContact CG1-CB 4.12Å; I222-I319 HydrophobicContact CG1-CD1 4.19Å; I222-I319 HydrophobicContact CG1-CG1 4.05Å; I222-I319 HydrophobicContact CG1-CG2 4.08Å |
| 223 | S | 89.3 | Confident | 84.7 | Confident | 62 Ų | 62 | 47.6 Ų | 47.6 | 43% | 0.434 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58 | -44.4 | -178.6 | -165.8 | 0 | 0 | 0 | 0 | 112.9 | R219 E220 L225 E227 | R219-S223 PolarHBondContact O-N 3.01Å; E220-S223 PolarHBondContact O-N 3.45Å; S223-L225 VanDerWaalsContact C-N 3.32Å; S223-L225 PolarHBondContact O-N 2.98Å; S223-E227 PolarHBondContact O-N 2.72Å; S223-E227 VanDerWaalsContact O-N 3.08Å |
| 224 | R | 88.4 | Confident | 82.9 | Confident | 59 Ų | 59 | 48 Ų | 48 | 22% | 0.223 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.6 | -35.2 | 177.5 | -74.4 | 179.9 | -172.2 | -173.3 | 8.1 | 112.7 | I200 E220 A221 I222 A228 | I200-R224 HydrophobicContact CD1-CB 3.92Å; E220-R224 WeakPolarHBondContact O-CB 3.35Å; E220-R224 WeakPolarHBondContact O-CG 3.36Å; E220-R224 PolarHBondContact O-N 2.92Å; E220-R224 IonicContact OE1-CZ 3.2Å; E220-R224 IonicContact OE1-NE 2.79Å; E220-R224 PolarHBondContact OE1-NE 3.48Å; E220-R224 IonicContact OE1-NH2 2.74Å; E220-R224 PolarHBondContact OE1-NH2 3.45Å; A221-R224 PolarHBondContact O-N 3.37Å; I222-R224 PolarHBondContact O-N 3.28Å; R224-A228 WeakPolarHBondContact O-CB 3.35Å; R224-A228 PolarHBondContact O-N 2.76Å |
| 225 | L | 89.1 | Confident | 80.8 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -78.1 | -38.9 | -178.9 | -146.7 | 68 | 0 | 0 | 0 | 111.5 | M197 I200 A221 I222 S223 E227 A228 V229 L255 I319 | M197-L225 HydrophobicContact CB-CD2 3.6Å; M197-L225 HydrophobicContact CB-CG 4.29Å; M197-L225 WeakPolarHBondContact O-CD2 3.5Å; I200-L225 HydrophobicContact CD1-CB 4.38Å; I200-L225 HydrophobicContact CD1-CD1 4.1Å; I200-L225 HydrophobicContact CG1-CD1 3.89Å; A221-L225 WeakPolarHBondContact O-CB 3.34Å; A221-L225 PolarHBondContact O-N 3.04Å; A221-L225 VanDerWaalsContact O-N 3.08Å; I222-L225 PolarHBondContact O-N 3.28Å; I222-L225 VanDerWaalsContact O-N 3.11Å; S223-L225 VanDerWaalsContact C-N 3.32Å; S223-L225 PolarHBondContact O-N 2.98Å; L225-E227 VanDerWaalsContact C-N 3.3Å; L225-E227 PolarHBondContact O-N 2.79Å; L225-A228 PolarHBondContact O-N 2.98Å; L225-V229 HydrophobicContact CG-CG2 4.31Å; L225-V229 WeakPolarHBondContact O-CG2 3.36Å; L225-V229 PolarHBondContact O-N 3.43Å; L225-L255 HydrophobicContact CD1-CD2 3.53Å; L225-L255 HydrophobicContact CG-CD2 4.27Å; L225-I319 HydrophobicContact CB-CD1 4.1Å; L225-I319 HydrophobicContact CD2-CB 3.84Å; L225-I319 HydrophobicContact CD2-CD1 3.68Å; L225-I319 HydrophobicContact CD2-CG1 4.34Å; L225-I319 HydrophobicContact CD2-CG2 4.34Å |
| 226 | C | 85.9 | Confident | 79.1 | Confident | 29 Ų | 29 | 55.4 Ų | 55.4 | 20% | 0.196 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.1 | -31.3 | 172 | -63.1 | 0 | 0 | 0 | 0 | 113 | I222 A228 Y303 | I222-C226 PolarHBondContact O-N 2.74Å; I222-C226 PolarHBondContact O-SG 2.8Å; C226-A228 VanDerWaalsContact C-N 3.31Å; C226-Y303 WeakPolarHBondContact SG-CE1 3.29Å; C226-Y303 VanDerWaalsContact SG-CZ 3.56Å |
| 227 | E | 85.1 | Confident | 77.4 | Confident | 127 Ų | 127 | 60.2 Ų | 60.2 | 59% | 0.593 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -72.7 | -21.6 | 170.2 | -75.2 | -170.3 | 169 | 0 | 0 | 113.2 | S223 L225 | S223-E227 PolarHBondContact O-N 2.72Å; S223-E227 VanDerWaalsContact O-N 3.08Å; L225-E227 VanDerWaalsContact C-N 3.3Å; L225-E227 PolarHBondContact O-N 2.79Å |
| 228 | A | 84.2 | Confident | 75.6 | Confident | 44 Ų | 44 | 69.9 Ų | 69.9 | 36% | 0.364 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -100.2 | -21.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | R224 L225 C226 P230 L255 | R224-A228 WeakPolarHBondContact O-CB 3.35Å; R224-A228 PolarHBondContact O-N 2.76Å; L225-A228 PolarHBondContact O-N 2.98Å; C226-A228 VanDerWaalsContact C-N 3.31Å; A228-P230 WeakPolarHBondContact O-CD 3.32Å; A228-L255 HydrophobicContact CB-CD1 4.19Å |
| 229 | V | 82.4 | Confident | 73.8 | Confident | 11 Ų | 11 | 78.9 Ų | 78.9 | 7% | 0.067 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -98 | 114.2 | -177.8 | 177.2 | 0 | 0 | 0 | 0 | 110.8 | M197 L225 G231 A232 L255 | M197-V229 WeakPolarHBondContact O-CG2 3.4Å; M197-V229 HydrophobicContact SD-CG1 4.34Å; L225-V229 HydrophobicContact CG-CG2 4.31Å; L225-V229 WeakPolarHBondContact O-CG2 3.36Å; L225-V229 PolarHBondContact O-N 3.43Å; V229-G231 PolarHBondContact O-N 2.82Å; V229-A232 HydrophobicContact CG1-CB 4.46Å; V229-L255 HydrophobicContact CG2-CD2 3.84Å |
| 230 | P | 67.4 | Low | 72.3 | Confident | 125 Ų | 125 | 82.8 Ų | 82.8 | 81% | 0.812 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 122.7 | 175.6 | -20.2 | 33 | 0 | 0 | 0 | 111.4 | A228 | A228-P230 WeakPolarHBondContact O-CD 3.32Š|
| 231 | G | 68 | Low | 70.6 | Confident | 67 Ų | 67 | 86.5 Ų | 86.5 | 69% | 0.691 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.1 | 3.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | V229 | V229-G231 PolarHBondContact O-N 2.82Š|
| 232 | A | 66.4 | Low | 69 | Low | 16 Ų | 16 | 89.9 Ų | 89.9 | 13% | 0.132 | 49% | 0.494 | C | S | . | . | trans | -64.2 | 142.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | M197 V229 G234 | M197-A232 HydrophobicContact SD-CB 3.72Å; V229-A232 HydrophobicContact CG1-CB 4.46Å; A232-G234 PolarHBondContact O-N 2.78Å | ||
| 233 | N | 57.6 | Low | 67.7 | Low | 124 Ų | 124 | 92.7 Ų | 92.7 | 66% | 0.663 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -78.2 | 26.5 | -173.7 | -79.4 | -61.3 | 0 | 0 | 0 | 114.6 | A235 E321 | N233-A235 PolarHBondContact O-N 2.91Å; N233-E321 PolarHBondContact N-OE1 2.95Å |
| 234 | G | 54.8 | Low | 66.8 | Low | 35 Ų | 35 | 98.8 Ų | 98.8 | 36% | 0.361 | 53% | 0.53 | S | S | . | . | trans | -69.5 | 97.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | A232 I236 | A232-G234 PolarHBondContact O-N 2.78Å; G234-I236 PolarHBondContact O-N 3.02Å | ||
| 235 | A | 46.7 | Very low | 66.1 | Low | 71 Ų | 71 | 102.3 Ų | 102.3 | 59% | 0.587 | 55% | 0.547 | S | S | * | . | trans | -54 | 129.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | N233 K237 | N233-A235 PolarHBondContact O-N 2.91Å; A235-K237 HydrophobicContact CB-CD 4.5Å; A235-K237 HydrophobicContact CB-CG 4.46Å; A235-K237 PolarHBondContact O-N 2.91Å | ||
| 236 | I | 57.1 | Low | 65.6 | Low | 179 Ų | 179 | 102.3 Ų | 102.3 | 92% | 0.918 | 55% | 0.547 | S | S | * | . | trans | -71.9 | 65.7 | -168 | -44.2 | 172.8 | 0 | 0 | 0 | 111.9 | G234 | G234-I236 PolarHBondContact O-N 3.02Š| ||
| 237 | K | 54.3 | Low | 65.3 | Low | 184 Ų | 184 | 104 Ų | 104 | 80% | 0.8 | 56% | 0.559 | S | S | * | * | trans | -108.7 | 79.8 | -170.9 | -75.8 | -176.8 | 175.5 | 174.7 | 0 | 112.1 | A235 R239 | A235-K237 HydrophobicContact CB-CD 4.5Å; A235-K237 HydrophobicContact CB-CG 4.46Å; A235-K237 PolarHBondContact O-N 2.91Å; K237-R239 PolarHBondContact O-N 2.86Å | ||
| 238 | K | 54.1 | Low | 65.2 | Low | 203 Ų | 203 | 102.1 Ų | 102.1 | 88% | 0.883 | 56% | 0.556 | S | S | * | * | trans | 39.1 | 68.7 | 157.9 | -67.9 | -165.2 | 173.1 | -173 | 0 | 116.7 | ||||
| 239 | R | 55.5 | Low | 65.4 | Low | 189 Ų | 189 | 100 Ų | 100 | 71% | 0.713 | 54% | 0.539 | S | S | * | . | trans | 29 | 99 | 133.4 | -165.5 | -176.2 | -155.5 | -173.2 | 7.6 | 116.4 | K237 | K237-R239 PolarHBondContact O-N 2.86Š| ||
| 240 | K | 57.7 | Low | 65.8 | Low | 191 Ų | 191 | 99.7 Ų | 99.7 | 83% | 0.83 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -71.2 | 138.8 | 141.8 | -72.1 | 173.1 | -178.7 | 166.4 | 0 | 107.2 | ||
| 241 | P | 55.3 | Low | 66.8 | Low | 99 Ų | 99 | 94.9 Ų | 94.9 | 64% | 0.643 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 143.7 | 174.2 | 28.1 | -33.7 | 0 | 0 | 0 | 109.9 | V243 | P241-V243 PolarHBondContact O-N 2.83Š|
| 242 | P | 57.7 | Low | 67.9 | Low | 70 Ų | 70 | 99.7 Ų | 99.7 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 134.7 | -179.9 | 24.3 | -34.3 | 0 | 0 | 0 | 110.4 | E220 K244 | E220-P242 VanDerWaalsContact OE1-CB 3.24Å; E220-P242 WeakPolarHBondContact OE1-CB 3.44Å; P242-K244 PolarHBondContact O-N 2.98Å |
| 243 | V | 65.3 | Low | 69 | Low | 62 Ų | 62 | 102.1 Ų | 102.1 | 38% | 0.376 | 53% | 0.528 | S | S | . | . | trans | -73.2 | 115.7 | -171.9 | -172.2 | 0 | 0 | 0 | 0 | 108.8 | E220 P241 F245 L246 | E220-V243 PolarHBondContact OE2-N 3.26Å; P241-V243 PolarHBondContact O-N 2.83Å; V243-F245 HydrophobicContact CG1-CB 4.32Å; V243-F245 PolarHBondContact O-N 2.87Å; V243-L246 HydrophobicContact CB-CD1 3.85Å; V243-L246 HydrophobicContact CB-CG 4.02Å; V243-L246 HydrophobicContact CG1-CG 4.44Å; V243-L246 HydrophobicContact CG2-CD1 4.14Å; V243-L246 PolarHBondContact O-N 3.26Å | ||
| 244 | K | 68.9 | Low | 70.6 | Confident | 190 Ų | 190 | 97.9 Ų | 97.9 | 83% | 0.826 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -24.1 | -175.1 | -65.5 | -176.1 | 178.9 | -179 | 0 | 114.7 | P242 S247 | P242-K244 PolarHBondContact O-N 2.98Å; K244-S247 PolarHBondContact O-OG 3.29Å |
| 245 | F | 74.4 | Confident | 72.2 | Confident | 133 Ų | 133 | 99 Ų | 99 | 58% | 0.583 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -30.5 | 175.6 | -173 | -123.7 | 0 | 0 | 0 | 113.2 | M213 V243 T248 | M213-F245 HydrophobicContact CE-CD1 3.77Å; M213-F245 HydrophobicContact CE-CE1 3.38Å; M213-F245 HydrophobicContact CE-CZ 4.21Å; M213-F245 HydrophobicContact SD-CD1 4.27Å; M213-F245 HydrophobicContact SD-CE1 3.9Å; V243-F245 HydrophobicContact CG1-CB 4.32Å; V243-F245 PolarHBondContact O-N 2.87Å; F245-T248 PolarHBondContact O-OG1 3.47Å |
| 246 | L | 78.8 | Confident | 74 | Confident | 0 Ų | 0 | 102.4 Ų | 102.4 | 0% | 0 | 51% | 0.507 | C | S | . | . | G | 310 helix | trans | -81.5 | -16.2 | -176.1 | -57.9 | 175.6 | 0 | 0 | 0 | 112.9 | M213 Q216 V217 E220 V243 T248 V249 L250 | M213-L246 HydrophobicContact CE-CD2 3.65Å; M213-L246 HydrophobicContact SD-CD2 3.89Å; Q216-L246 HydrophobicContact CG-CD1 3.87Å; V217-L246 HydrophobicContact CG2-CD2 3.9Å; E220-L246 HydrophobicContact CB-CD1 3.54Å; E220-L246 HydrophobicContact CG-CB 3.95Å; E220-L246 HydrophobicContact CG-CD1 3.7Å; E220-L246 HydrophobicContact CG-CG 4.48Å; V243-L246 HydrophobicContact CB-CD1 3.85Å; V243-L246 HydrophobicContact CB-CG 4.02Å; V243-L246 HydrophobicContact CG1-CG 4.44Å; V243-L246 HydrophobicContact CG2-CD1 4.14Å; V243-L246 PolarHBondContact O-N 3.26Å; L246-T248 VanDerWaalsContact C-N 3.25Å; L246-T248 PolarHBondContact O-N 2.97Å; L246-V249 PolarHBondContact O-N 2.92Å; L246-V249 VanDerWaalsContact O-N 3.15Å; L246-L250 PolarHBondContact O-N 3.45Å |
| 247 | S | 79.6 | Confident | 75.4 | Confident | 64 Ų | 64 | 97 Ų | 97 | 45% | 0.448 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -71.3 | -7.8 | 171.5 | 29.5 | 0 | 0 | 0 | 0 | 115.3 | K244 | K244-S247 PolarHBondContact O-OG 3.29Š|
| 248 | T | 83.5 | Confident | 77.1 | Confident | 87 Ų | 87 | 90.1 Ų | 90.1 | 53% | 0.534 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -87.4 | -19.2 | 166.5 | 59.6 | 0 | 0 | 0 | 0 | 112.3 | F245 L246 | F245-T248 PolarHBondContact O-OG1 3.47Å; L246-T248 VanDerWaalsContact C-N 3.25Å; L246-T248 PolarHBondContact O-N 2.97Å |
| 249 | V | 88.1 | Confident | 78.7 | Confident | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -39.5 | -177.5 | -176.9 | 0 | 0 | 0 | 0 | 111.7 | V202 L203 Q204 L209 M213 V217 L246 | V202-V249 CarbonylContact C-O 3.57Å; V202-V249 WeakPolarHBondContact CA-O 3.43Å; V202-V249 HydrophobicContact CG1-CG1 3.93Å; V202-V249 WeakPolarHBondContact CG1-O 3.29Å; L203-V249 PolarHBondContact N-O 2.88Å; Q204-V249 HydrophobicContact CB-CG1 4.32Å; Q204-V249 HydrophobicContact CB-CG2 4.43Å; L209-V249 HydrophobicContact CD1-CG1 3.99Å; M213-V249 HydrophobicContact CE-CG2 3.87Å; V217-V249 HydrophobicContact CG1-CG1 3.99Å; V217-V249 HydrophobicContact CG2-CB 4.28Å; V217-V249 HydrophobicContact CG2-CG1 3.76Å; L246-V249 PolarHBondContact O-N 2.92Å; L246-V249 VanDerWaalsContact O-N 3.15Å |
| 250 | L | 90.5 | Very high | 80.4 | Confident | 4 Ų | 4 | 75.6 Ų | 75.6 | 2% | 0.021 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 117.8 | 176.7 | -67.1 | 175.2 | 0 | 0 | 0 | 110.7 | I200 V202 V217 E220 A221 L246 | I200-L250 HydrophobicContact CG2-CB 4.22Å; I200-L250 HydrophobicContact CG2-CD2 4.09Å; V202-L250 HydrophobicContact CG2-CD2 4.22Å; V217-L250 HydrophobicContact CG1-CD2 3.77Å; V217-L250 HydrophobicContact CG1-CG 4.14Å; E220-L250 HydrophobicContact CB-CD1 4.04Å; E220-L250 HydrophobicContact CG-CD1 3.63Å; A221-L250 HydrophobicContact CB-CD1 4.02Å; A221-L250 HydrophobicContact CB-CD2 4.03Å; L246-L250 PolarHBondContact O-N 3.45Å |
| 251 | G | 89.5 | Confident | 82 | Confident | 24 Ų | 24 | 69.7 Ų | 69.7 | 25% | 0.247 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | -135.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E201 | E201-G251 PolarHBondContact O-N 2.82Å |
| 252 | K | 89.4 | Confident | 83.9 | Confident | 168 Ų | 168 | 65 Ų | 65 | 73% | 0.73 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 147.1 | -176 | -62.9 | 173.2 | -174.6 | 171 | 0 | 112.4 | I200 E201 | I200-K252 WeakPolarHBondContact CA-O 3.42Å; E201-K252 WeakPolarHBondContact CB-O 3.29Å; E201-K252 PolarHBondContact N-O 2.91Å; E201-K252 PolarHBondContact OE2-N 3.02Å |
| 253 | S | 91 | Very high | 85.7 | Confident | 68 Ų | 68 | 65.4 Ų | 65.4 | 48% | 0.476 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 140.6 | 165.9 | 45.4 | 0 | 0 | 0 | 0 | 111.1 | C199 | C199-S253 WeakPolarHBondContact O-CA 3.27Å |
| 254 | N | 89.6 | Confident | 87.1 | Confident | 35 Ų | 35 | 62.4 Ų | 62.4 | 19% | 0.187 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 119.4 | 169.7 | -176.6 | 2.5 | 0 | 0 | 0 | 109.2 | C199 Q256 N313 | C199-N254 PolarHBondContact N-O 3.39Å; C199-N254 VanDerWaalsContact N-O 3.09Å; C199-N254 PolarHBondContact O-N 2.99Å; N254-Q256 WeakPolarHBondContact OD1-CB 3.47Å; N254-Q256 VanDerWaalsContact OD1-CD 3.32Å; N254-Q256 WeakPolarHBondContact OD1-CG 3.32Å; N254-Q256 PolarHBondContact OD1-N 3.31Å; N254-Q256 VanDerWaalsContact OD1-N 3.12Å; N254-Q256 PolarHBondContact OD1-NE2 2.9Å; N254-N313 PolarHBondContact ND2-OD1 2.75Å |
| 255 | L | 89.8 | Confident | 88.3 | Confident | 58 Ų | 58 | 54.5 Ų | 54.5 | 30% | 0.304 | 30% | 0.295 | S | S | . | . | trans | -113.3 | 10.9 | -175 | -60.7 | 178.7 | 0 | 0 | 0 | 113.2 | L225 A228 V229 F257 S258 | L225-L255 HydrophobicContact CD1-CD2 3.53Å; L225-L255 HydrophobicContact CG-CD2 4.27Å; A228-L255 HydrophobicContact CB-CD1 4.19Å; V229-L255 HydrophobicContact CG2-CD2 3.84Å; L255-F257 PolarHBondContact O-N 2.89Å; L255-S258 WeakPolarHBondContact O-CB 3.35Å; L255-S258 PolarHBondContact O-N 3.14Å; L255-S258 PolarHBondContact O-OG 2.68Å; L255-S258 VanDerWaalsContact O-OG 3.05Å | ||
| 256 | Q | 84.4 | Confident | 89.3 | Confident | 142 Ų | 142 | 48.1 Ų | 48.1 | 66% | 0.664 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -26.7 | -174.2 | -75.6 | 166 | 24.6 | 0 | 0 | 114.9 | N254 | N254-Q256 WeakPolarHBondContact OD1-CB 3.47Å; N254-Q256 VanDerWaalsContact OD1-CD 3.32Å; N254-Q256 WeakPolarHBondContact OD1-CG 3.32Å; N254-Q256 PolarHBondContact OD1-N 3.31Å; N254-Q256 VanDerWaalsContact OD1-N 3.12Å; N254-Q256 PolarHBondContact OD1-NE2 2.9Å |
| 257 | F | 86.3 | Confident | 89.9 | Confident | 67 Ų | 67 | 48.9 Ų | 48.9 | 29% | 0.294 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.4 | 19.7 | 178.9 | -53.8 | -78.8 | 0 | 0 | 0 | 112.5 | Y196 L255 M260 I282 | Y196-F257 HydrophobicContact CD1-CB 3.89Å; Y196-F257 WeakPolarHBondContact CD1-O 3.12Å; Y196-F257 HydrophobicContact CE1-CB 4.08Å; L255-F257 PolarHBondContact O-N 2.89Å; F257-M260 HydrophobicContact CB-SD 3.79Å; F257-M260 HydrophobicContact CD1-SD 3.81Å; F257-M260 HydrophobicContact CG-SD 4.31Å; F257-M260 WeakPolarHBondContact O-CB 3.48Å; F257-M260 WeakPolarHBondContact O-CG 3.37Å; F257-M260 PolarHBondContact O-N 2.8Å; F257-I282 HydrophobicContact CB-CD1 4.4Å; F257-I282 HydrophobicContact CB-CG2 4.25Å; F257-I282 HydrophobicContact CD1-CG2 4.28Å; F257-I282 HydrophobicContact CD2-CG2 3.59Å; F257-I282 HydrophobicContact CE2-CG2 3.96Å; F257-I282 HydrophobicContact CG-CG2 3.77Å; F257-I282 HydrophobicContact CZ-CG2 4.45Å |
| 258 | S | 90.4 | Very high | 90.5 | Very high | 39 Ų | 39 | 46 Ų | 46 | 27% | 0.273 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | 137.3 | -174.4 | 64.2 | 0 | 0 | 0 | 0 | 112.7 | M197 L255 M260 | M197-S258 WeakPolarHBondContact O-CB 3.48Å; L255-S258 WeakPolarHBondContact O-CB 3.35Å; L255-S258 PolarHBondContact O-N 3.14Å; L255-S258 PolarHBondContact O-OG 2.68Å; L255-S258 VanDerWaalsContact O-OG 3.05Å; S258-M260 VanDerWaalsContact C-N 3.29Å |
| 259 | G | 87.6 | Confident | 90.8 | Very high | 31 Ų | 31 | 44.2 Ų | 44.2 | 32% | 0.32 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | -3.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R195 Y196 | R195-G259 VanDerWaalsContact CD-O 3.27Å; R195-G259 WeakPolarHBondContact CD-O 3.24Å; R195-G259 VanDerWaalsContact CG-O 3.31Å; R195-G259 WeakPolarHBondContact CG-O 3.36Å; Y196-G259 PolarHBondContact O-N 2.82Å |
| 260 | M | 90 | Very high | 91 | Very high | 55 Ų | 55 | 45 Ų | 45 | 27% | 0.271 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 140.1 | -179 | -62.6 | -177.7 | 71.3 | 0 | 0 | 111.8 | R195 Y196 F257 S258 N275 | R195-M260 CarbonylContact C-O 3.46Å; R195-M260 WeakPolarHBondContact CA-O 3.24Å; R195-M260 WeakPolarHBondContact CG-O 3.47Å; Y196-M260 PolarHBondContact N-O 3.49Å; F257-M260 HydrophobicContact CB-SD 3.79Å; F257-M260 HydrophobicContact CD1-SD 3.81Å; F257-M260 HydrophobicContact CG-SD 4.31Å; F257-M260 WeakPolarHBondContact O-CB 3.48Å; F257-M260 WeakPolarHBondContact O-CG 3.37Å; F257-M260 PolarHBondContact O-N 2.8Å; S258-M260 VanDerWaalsContact C-N 3.29Å; M260-N275 HydrophobicContact CE-CB 4.43Å; M260-N275 VanDerWaalsContact CE-ND2 3.32Å; M260-N275 WeakPolarHBondContact CE-ND2 3.32Å |
| 261 | N | 92.6 | Very high | 91.2 | Very high | 68 Ų | 68 | 44.9 Ų | 44.9 | 36% | 0.364 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 122.3 | 175.6 | -52.7 | -53.9 | 0 | 0 | 0 | 109 | R195 N275 L276 | R195-N261 PolarHBondContact NE-OD1 3.5Å; R195-N261 VanDerWaalsContact NE-OD1 3.14Å; N261-N275 PolarHBondContact O-OD1 2.84Å; N261-L276 HydrophobicContact CB-CD1 3.97Å; N261-L276 WeakPolarHBondContact O-CB 3.35Å; N261-L276 PolarHBondContact O-N 2.84Å; N261-L276 VanDerWaalsContact O-N 3.13Å |
| 262 | I | 94.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 151.8 | -173.9 | 69.4 | 157.5 | 0 | 0 | 0 | 111.8 | C193 V194 Y196 L273 M274 I282 L320 | C193-I262 WeakPolarHBondContact CA-O 3.45Å; V194-I262 HydrophobicContact CG2-CD1 4.09Å; V194-I262 HydrophobicContact CG2-CG1 3.68Å; V194-I262 PolarHBondContact N-O 3.07Å; V194-I262 VanDerWaalsContact O-CG1 3.29Å; V194-I262 WeakPolarHBondContact O-CG1 3.17Å; V194-I262 PolarHBondContact O-N 2.82Å; Y196-I262 HydrophobicContact CD2-CD1 4.26Å; I262-L273 HydrophobicContact CD1-CB 3.92Å; I262-L273 HydrophobicContact CD1-CD2 3.76Å; I262-L273 HydrophobicContact CD1-CG 3.65Å; I262-M274 CarbonylContact C-O 3.54Å; I262-M274 VanDerWaalsContact CA-O 3.29Å; I262-M274 WeakPolarHBondContact CA-O 3.45Å; I262-M274 WeakPolarHBondContact CB-O 3.42Å; I262-I282 HydrophobicContact CG2-CD1 3.62Å; I262-L320 HydrophobicContact CD1-CD2 4Å |
| 263 | K | 94.7 | Very high | 91.6 | Very high | 78 Ų | 78 | 36.9 Ų | 36.9 | 34% | 0.339 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 106 | 162.5 | -178.5 | 178.9 | 171.7 | -172 | 0 | 107.5 | N191 Y192 M274 L276 | N191-K263 HydrophobicContact CB-CG 4.5Å; N191-K263 WeakPolarHBondContact OD1-CE 3.36Å; Y192-K263 WeakPolarHBondContact O-CA 3.35Å; K263-M274 HydrophobicContact CB-CB 4.42Å; K263-M274 HydrophobicContact CD-SD 4.41Å; K263-M274 PolarHBondContact N-O 2.79Å; K263-M274 PolarHBondContact O-N 2.8Å; K263-L276 HydrophobicContact CB-CD2 3.88Å; K263-L276 HydrophobicContact CB-CG 4.32Å |
| 264 | L | 94.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 117.8 | 167.8 | 175.2 | 72 | 0 | 0 | 0 | 108.5 | N191 Y192 V194 I266 L271 L273 L320 V330 | N191-L264 CarbonylContact C-O 3.52Å; N191-L264 WeakPolarHBondContact CA-O 3.44Å; Y192-L264 PolarHBondContact N-O 2.87Å; Y192-L264 PolarHBondContact O-N 3.08Å; V194-L264 HydrophobicContact CG2-CB 3.97Å; L264-I266 HydrophobicContact CD2-CD1 3.92Å; L264-I266 HydrophobicContact CD2-CG1 3.94Å; L264-I266 HydrophobicContact CG-CD1 4.47Å; L264-I266 HydrophobicContact CG-CG1 3.95Å; L264-L271 HydrophobicContact CD1-CB 4.29Å; L264-L273 HydrophobicContact CD1-CD1 3.75Å; L264-L273 HydrophobicContact CD1-CG 4.12Å; L264-L320 HydrophobicContact CD2-CD1 3.87Å; L264-V330 HydrophobicContact CD2-CG1 3.87Å |
| 265 | T | 94.5 | Very high | 91.9 | Very high | 23 Ų | 23 | 34.6 Ų | 34.6 | 14% | 0.141 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 121.7 | 171 | -54.2 | 0 | 0 | 0 | 0 | 109.5 | M188 M190 N191 L271 T272 | M188-T265 WeakPolarHBondContact O-CG2 3.34Å; M190-T265 CarbonylContact O-C 3.52Å; M190-T265 WeakPolarHBondContact O-CA 3.49Å; N191-T265 PolarHBondContact OD1-OG1 2.94Å; T265-L271 WeakPolarHBondContact O-CA 3.41Å; T265-T272 PolarHBondContact N-O 3.1Å; T265-T272 PolarHBondContact O-N 3.2Å |
| 266 | I | 94.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 109 | -178.7 | -49 | -177.4 | 0 | 0 | 0 | 109 | L185 G189 M190 Y192 L264 L271 V330 T333 I334 A337 | L185-I266 HydrophobicContact CD2-CG2 4.2Å; G189-I266 CarbonylContact C-O 3.55Å; G189-I266 WeakPolarHBondContact CA-O 3.08Å; M190-I266 PolarHBondContact N-O 2.71Å; M190-I266 PolarHBondContact O-N 2.86Å; Y192-I266 HydrophobicContact CD2-CD1 3.7Å; Y192-I266 HydrophobicContact CD2-CG1 4.07Å; Y192-I266 HydrophobicContact CE2-CD1 3.53Å; Y192-I266 HydrophobicContact CE2-CG1 4.11Å; L264-I266 HydrophobicContact CD2-CD1 3.92Å; L264-I266 HydrophobicContact CD2-CG1 3.94Å; L264-I266 HydrophobicContact CG-CD1 4.47Å; L264-I266 HydrophobicContact CG-CG1 3.95Å; I266-L271 HydrophobicContact CB-CD2 4.06Å; I266-L271 HydrophobicContact CG1-CD2 3.92Å; I266-L271 HydrophobicContact CG2-CD2 3.74Å; I266-V330 HydrophobicContact CD1-CG1 4.35Å; I266-T333 HydrophobicContact CB-CG2 4.33Å; I266-T333 HydrophobicContact CD1-CG2 4.03Å; I266-T333 HydrophobicContact CG2-CG2 4.08Å; I266-I334 HydrophobicContact CD1-CG1 4.01Å; I266-A337 HydrophobicContact CG2-CB 4.03Å |
| 267 | S | 93.1 | Very high | 92.2 | Very high | 16 Ų | 16 | 34.5 Ų | 34.5 | 11% | 0.112 | 19% | 0.193 | C | C | . | . | trans | -117.4 | 163.4 | 174.6 | 172.2 | 0 | 0 | 0 | 0 | 110.3 | C269 S270 M287 | S267-C269 PolarHBondContact O-N 2.87Å; S267-C269 PolarHBondContact OG-N 3Å; S267-S270 PolarHBondContact N-O 3.2Å; S267-M287 WeakPolarHBondContact O-CE 3.46Å | ||
| 268 | T | 90.6 | Very high | 92.4 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 3% | 0.025 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -62.3 | -19.4 | 166.2 | 51.7 | 0 | 0 | 0 | 0 | 113 | L185 L186 M287 L340 R341 | L185-T268 PolarHBondContact O-N 3.34Å; L185-T268 VanDerWaalsContact O-N 3.1Å; L186-T268 HydrophobicContact CD2-CG2 4.02Å; T268-M287 VanDerWaalsContact O-CG 3.29Å; T268-M287 WeakPolarHBondContact O-CG 3.47Å; T268-L340 HydrophobicContact CG2-CB 3.76Å; T268-L340 HydrophobicContact CG2-CD1 4.3Å; T268-R341 WeakPolarHBondContact O-CD 3.32Å |
| 269 | C | 89.8 | Confident | 92.2 | Very high | 48 Ų | 48 | 40.7 Ų | 40.7 | 32% | 0.324 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -83.8 | -53.4 | 176.4 | -67.2 | 0 | 0 | 0 | 0 | 112.7 | S267 H286 M287 R341 | S267-C269 PolarHBondContact O-N 2.87Å; S267-C269 PolarHBondContact OG-N 3Å; C269-H286 PolarHBondContact O-CD2 3.35Å; C269-M287 PolarHBondContact O-N 2.93Å; C269-R341 PolarHBondContact O-NH1 3.36Å |
| 270 | S | 92.8 | Very high | 92.4 | Very high | 18 Ų | 18 | 44.2 Ų | 44.2 | 13% | 0.126 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 166.6 | -175.9 | 65.5 | 0 | 0 | 0 | 0 | 114.4 | S267 N284 H285 | S267-S270 PolarHBondContact N-O 3.2Å; S270-N284 WeakPolarHBondContact CB-OD1 3.19Å; S270-N284 PolarHBondContact OG-OD1 3.09Å; S270-H285 CarbonylContact C-O 3.54Å; S270-H285 VanDerWaalsContact CA-O 3.28Å; S270-H285 WeakPolarHBondContact CA-O 3.4Å; S270-H285 VanDerWaalsContact CB-O 3.32Å; S270-H285 WeakPolarHBondContact CB-O 3.31Å |
| 271 | L | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 116.3 | 159.3 | -60.2 | -174.9 | 0 | 0 | 0 | 108.9 | L264 T265 I266 L273 N284 H285 M287 I290 Y306 I334 | L264-L271 HydrophobicContact CD1-CB 4.29Å; T265-L271 WeakPolarHBondContact O-CA 3.41Å; I266-L271 HydrophobicContact CB-CD2 4.06Å; I266-L271 HydrophobicContact CG1-CD2 3.92Å; I266-L271 HydrophobicContact CG2-CD2 3.74Å; L271-L273 HydrophobicContact CB-CD1 4.27Å; L271-N284 CarbonylContact O-C 3.6Å; L271-N284 WeakPolarHBondContact O-CA 3.47Å; L271-H285 HydrophobicContact CB-CB 4.39Å; L271-H285 PolarHBondContact N-O 3.4Å; L271-H285 PolarHBondContact O-N 3.1Å; L271-M287 HydrophobicContact CB-CE 4.47Å; L271-M287 HydrophobicContact CD2-CE 3.63Å; L271-M287 HydrophobicContact CG-CE 3.62Å; L271-I290 HydrophobicContact CB-CD1 4.39Å; L271-I290 HydrophobicContact CD1-CD1 3.63Å; L271-I290 HydrophobicContact CG-CD1 3.68Å; L271-Y306 HydrophobicContact CD1-CD1 4.39Å; L271-Y306 HydrophobicContact CD1-CD2 4.14Å; L271-Y306 HydrophobicContact CD1-CE1 4.32Å; L271-Y306 HydrophobicContact CD1-CE2 4.07Å; L271-Y306 HydrophobicContact CD1-CG 4.31Å; L271-I334 HydrophobicContact CD1-CD1 4.32Å; L271-I334 HydrophobicContact CD2-CG1 4.28Å |
| 272 | T | 93.5 | Very high | 92.3 | Very high | 24 Ų | 24 | 44.4 Ų | 44.4 | 15% | 0.147 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 127 | 173.6 | -58.2 | 0 | 0 | 0 | 0 | 109.4 | T265 I281 N284 | T265-T272 PolarHBondContact N-O 3.1Å; T265-T272 PolarHBondContact O-N 3.2Å; T272-I281 HydrophobicContact CG2-CD1 4.2Å; T272-I281 HydrophobicContact CG2-CG1 4.11Å; T272-I281 HydrophobicContact CG2-CG2 3.99Å; T272-N284 PolarHBondContact OG1-OD1 3.32Å |
| 273 | L | 93.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 102.7 | 178.6 | -77.9 | 71.6 | 0 | 0 | 0 | 107.9 | Y196 I262 L264 L271 I282 A283 Y306 L320 | Y196-L273 HydrophobicContact CD2-CD2 3.67Å; Y196-L273 HydrophobicContact CE2-CD2 3.58Å; I262-L273 HydrophobicContact CD1-CB 3.92Å; I262-L273 HydrophobicContact CD1-CD2 3.76Å; I262-L273 HydrophobicContact CD1-CG 3.65Å; L264-L273 HydrophobicContact CD1-CD1 3.75Å; L264-L273 HydrophobicContact CD1-CG 4.12Å; L271-L273 HydrophobicContact CB-CD1 4.27Å; L273-I282 PolarHBondContact O-N 3.48Å; L273-A283 HydrophobicContact CB-CB 4.43Å; L273-A283 PolarHBondContact N-O 3.05Å; L273-A283 PolarHBondContact O-N 3.43Å; L273-Y306 VanDerWaalsContact CD1-OH 3.31Å; L273-Y306 WeakPolarHBondContact CD1-OH 3.39Å; L273-Y306 WeakPolarHBondContact CD2-OH 2.96Å; L273-L320 HydrophobicContact CD2-CD2 4.48Å |
| 274 | M | 93.6 | Very high | 91.9 | Very high | 48 Ų | 48 | 45.6 Ų | 45.6 | 24% | 0.236 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 131 | -179.4 | 175.2 | -179.8 | -79.6 | 0 | 0 | 110 | I262 K263 Q279 Q280 I281 | I262-M274 CarbonylContact C-O 3.54Å; I262-M274 VanDerWaalsContact CA-O 3.29Å; I262-M274 WeakPolarHBondContact CA-O 3.45Å; I262-M274 WeakPolarHBondContact CB-O 3.42Å; K263-M274 HydrophobicContact CB-CB 4.42Å; K263-M274 HydrophobicContact CD-SD 4.41Å; K263-M274 PolarHBondContact N-O 2.79Å; K263-M274 PolarHBondContact O-N 2.8Å; M274-Q279 HydrophobicContact SD-CB 4.47Å; M274-Q280 CarbonylContact C-O 3.57Å; M274-Q280 WeakPolarHBondContact CA-O 3.43Å; M274-I281 HydrophobicContact CE-CG1 4.18Å |
| 275 | N | 94.3 | Very high | 91.8 | Very high | 7 Ų | 7 | 45.6 Ų | 45.6 | 4% | 0.037 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 136.4 | 172 | 179 | 20.6 | 0 | 0 | 0 | 110.6 | M260 N261 D277 N278 Q279 Q280 I282 | M260-N275 HydrophobicContact CE-CB 4.43Å; M260-N275 VanDerWaalsContact CE-ND2 3.32Å; M260-N275 WeakPolarHBondContact CE-ND2 3.32Å; N261-N275 PolarHBondContact O-OD1 2.84Å; N275-D277 PolarHBondContact OD1-N 2.98Å; N275-N278 VanDerWaalsContact CB-OD1 3.25Å; N275-N278 WeakPolarHBondContact CB-OD1 3.4Å; N275-N278 VanDerWaalsContact ND2-CG 3.31Å; N275-N278 PolarHBondContact ND2-N 3.34Å; N275-N278 PolarHBondContact ND2-OD1 2.84Å; N275-Q279 WeakPolarHBondContact O-CA 3.43Å; N275-Q279 PolarHBondContact O-N 2.87Å; N275-Q279 VanDerWaalsContact O-N 3.12Å; N275-Q280 PolarHBondContact N-O 3.49Å; N275-I282 HydrophobicContact CB-CD1 4.17Å; N275-I282 HydrophobicContact CB-CG1 4.42Å |
| 276 | L | 90.3 | Very high | 91.7 | Very high | 70 Ų | 70 | 48 Ų | 48 | 37% | 0.366 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -35.5 | 177.2 | -75.8 | 164.2 | 0 | 0 | 0 | 112.5 | C193 N261 K263 | C193-L276 HydrophobicContact CB-CD1 4.31Å; N261-L276 HydrophobicContact CB-CD1 3.97Å; N261-L276 WeakPolarHBondContact O-CB 3.35Å; N261-L276 PolarHBondContact O-N 2.84Å; N261-L276 VanDerWaalsContact O-N 3.13Å; K263-L276 HydrophobicContact CB-CD2 3.88Å; K263-L276 HydrophobicContact CB-CG 4.32Å |
| 277 | D | 90.6 | Very high | 91.5 | Very high | 128 Ų | 128 | 48.1 Ų | 48.1 | 68% | 0.684 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -40.8 | -168.8 | -58.2 | -42.6 | 0 | 0 | 0 | 113.4 | N275 | N275-D277 PolarHBondContact OD1-N 2.98Š|
| 278 | N | 89 | Confident | 91.3 | Very high | 87 Ų | 87 | 53.1 Ų | 53.1 | 47% | 0.465 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | 3.3 | -179 | 79 | -11.7 | 0 | 0 | 0 | 114.3 | N275 Q280 | N275-N278 VanDerWaalsContact CB-OD1 3.25Å; N275-N278 WeakPolarHBondContact CB-OD1 3.4Å; N275-N278 VanDerWaalsContact ND2-CG 3.31Å; N275-N278 PolarHBondContact ND2-N 3.34Å; N275-N278 PolarHBondContact ND2-OD1 2.84Å; N278-Q280 PolarHBondContact ND2-OE1 2.85Å; N278-Q280 PolarHBondContact O-N 3.24Å; N278-Q280 WeakPolarHBondContact OD1-CB 3.48Å; N278-Q280 PolarHBondContact OD1-N 2.93Å |
| 279 | Q | 87.8 | Confident | 91.3 | Very high | 149 Ų | 149 | 54.5 Ų | 54.5 | 70% | 0.696 | 28% | 0.284 | S | S | * | . | trans | 56.6 | 14.7 | -179.1 | -54.2 | -175.4 | 21.9 | 0 | 0 | 115.2 | M274 N275 | M274-Q279 HydrophobicContact SD-CB 4.47Å; N275-Q279 WeakPolarHBondContact O-CA 3.43Å; N275-Q279 PolarHBondContact O-N 2.87Å; N275-Q279 VanDerWaalsContact O-N 3.12Å | ||
| 280 | Q | 91.6 | Very high | 91.4 | Very high | 105 Ų | 105 | 52.8 Ų | 52.8 | 49% | 0.491 | 27% | 0.271 | S | S | . | . | trans | -76.3 | 137.6 | 178.6 | -172.2 | -178.6 | 3 | 0 | 0 | 111.2 | M274 N275 N278 I282 | M274-Q280 CarbonylContact C-O 3.57Å; M274-Q280 WeakPolarHBondContact CA-O 3.43Å; N275-Q280 PolarHBondContact N-O 3.49Å; N278-Q280 PolarHBondContact ND2-OE1 2.85Å; N278-Q280 PolarHBondContact O-N 3.24Å; N278-Q280 WeakPolarHBondContact OD1-CB 3.48Å; N278-Q280 PolarHBondContact OD1-N 2.93Å; Q280-I282 PolarHBondContact O-N 3.29Å | ||
| 281 | I | 90.8 | Very high | 91.3 | Very high | 94 Ų | 94 | 53.6 Ų | 53.6 | 48% | 0.482 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 118.1 | 168.9 | -59.8 | 173.5 | 0 | 0 | 0 | 108.7 | T272 M274 A283 N284 | T272-I281 HydrophobicContact CG2-CD1 4.2Å; T272-I281 HydrophobicContact CG2-CG1 4.11Å; T272-I281 HydrophobicContact CG2-CG2 3.99Å; M274-I281 HydrophobicContact CE-CG1 4.18Å; I281-A283 WeakPolarHBondContact CG2-O 3.5Å; I281-N284 HydrophobicContact CG2-CB 4.45Å |
| 282 | I | 89.5 | Confident | 91.3 | Very high | 34 Ų | 34 | 54.7 Ų | 54.7 | 17% | 0.174 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | -42.9 | 175.6 | -57.3 | 172.4 | 0 | 0 | 0 | 110 | F257 I262 L273 N275 Q280 | F257-I282 HydrophobicContact CB-CD1 4.4Å; F257-I282 HydrophobicContact CB-CG2 4.25Å; F257-I282 HydrophobicContact CD1-CG2 4.28Å; F257-I282 HydrophobicContact CD2-CG2 3.59Å; F257-I282 HydrophobicContact CE2-CG2 3.96Å; F257-I282 HydrophobicContact CG-CG2 3.77Å; F257-I282 HydrophobicContact CZ-CG2 4.45Å; I262-I282 HydrophobicContact CG2-CD1 3.62Å; L273-I282 PolarHBondContact O-N 3.48Å; N275-I282 HydrophobicContact CB-CD1 4.17Å; N275-I282 HydrophobicContact CB-CG1 4.42Å; Q280-I282 PolarHBondContact O-N 3.29Å |
| 283 | A | 89.4 | Confident | 91.3 | Very high | 10 Ų | 10 | 54.9 Ų | 54.9 | 8% | 0.083 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 155.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L273 I281 | L273-A283 HydrophobicContact CB-CB 4.43Å; L273-A283 PolarHBondContact N-O 3.05Å; L273-A283 PolarHBondContact O-N 3.43Å; I281-A283 WeakPolarHBondContact CG2-O 3.5Å |
| 284 | N | 91.2 | Very high | 91.3 | Very high | 92 Ų | 92 | 55.7 Ų | 55.7 | 49% | 0.492 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 99.8 | 174.9 | -178.8 | 8 | 0 | 0 | 0 | 109.1 | S270 L271 T272 I281 | S270-N284 WeakPolarHBondContact CB-OD1 3.19Å; S270-N284 PolarHBondContact OG-OD1 3.09Å; L271-N284 CarbonylContact O-C 3.6Å; L271-N284 WeakPolarHBondContact O-CA 3.47Å; T272-N284 PolarHBondContact OG1-OD1 3.32Å; I281-N284 HydrophobicContact CG2-CB 4.45Å |
| 285 | H | 93.5 | Very high | 91.2 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 99.4 | -175.4 | -57.6 | 123.5 | 0 | 0 | 0 | 110.7 | S270 L271 M287 I290 Y306 A308 D310 H318 | S270-H285 CarbonylContact C-O 3.54Å; S270-H285 VanDerWaalsContact CA-O 3.28Å; S270-H285 WeakPolarHBondContact CA-O 3.4Å; S270-H285 VanDerWaalsContact CB-O 3.32Å; S270-H285 WeakPolarHBondContact CB-O 3.31Å; L271-H285 HydrophobicContact CB-CB 4.39Å; L271-H285 PolarHBondContact N-O 3.4Å; L271-H285 PolarHBondContact O-N 3.1Å; H285-M287 PolarHBondContact O-N 3.16Å; H285-I290 HydrophobicContact CB-CD1 4.02Å; H285-I290 HydrophobicContact CB-CG1 4Å; H285-Y306 AromaticContact CE1-CE2 3.92Å; H285-Y306 PolarHBondContact CE1-OH 3.29Å; H285-Y306 VanDerWaalsContact CE1-OH 3.28Å; H285-Y306 AromaticContact ND1-CE2 3.4Å; H285-Y306 WeakPolarHBondContact ND1-CE2 3.09Å; H285-Y306 AromaticContact ND1-CZ 3.67Å; H285-Y306 PolarHBondContact ND1-OH 2.85Å; H285-Y306 VanDerWaalsContact ND1-OH 3.08Å; H285-A308 HydrophobicContact CB-CB 4Å; H285-D310 IonicContact CD2-OD1 3.07Å; H285-D310 PolarHBondContact CD2-OD1 3.43Å; H285-D310 IonicContact CD2-OD2 3.95Å; H285-D310 IonicContact NE2-OD1 2.76Å; H285-D310 PolarHBondContact NE2-OD1 2.89Å; H285-D310 IonicContact NE2-OD2 3.36Å; H285-D310 PolarHBondContact NE2-OD2 3.2Å; H285-H318 AromaticContact CE1-CD2 3.79Å; H285-H318 AromaticContact CE1-CE1 3.45Å; H285-H318 PolarHBondContact CE1-CE1 2.9Å; H285-H318 VanDerWaalsContact CE1-CE1 3.45Å; H285-H318 AromaticContact CE1-CG 3.94Å; H285-H318 AromaticContact CE1-ND1 3.74Å; H285-H318 AromaticContact CE1-NE2 3.51Å; H285-H318 AromaticContact NE2-CE1 3.48Å; H285-H318 PolarHBondContact NE2-CE1 2.87Å; H285-H318 AromaticContact NE2-NE2 3.37Å; H285-H318 PolarHBondContact NE2-NE2 3.19Å |
| 286 | H | 91.9 | Very high | 90.9 | Very high | 72 Ų | 72 | 55.5 Ų | 55.5 | 33% | 0.333 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 136.1 | 171.5 | -168.3 | -132.7 | 0 | 0 | 0 | 110.9 | C269 Q288 S289 R341 | C269-H286 PolarHBondContact O-CD2 3.35Å; H286-Q288 PolarHBondContact CE1-OE1 2.81Å; H286-Q288 PolarHBondContact ND1-OE1 3.28Å; H286-Q288 PolarHBondContact O-N 3.1Å; H286-S289 PolarHBondContact O-N 3.19Å; H286-S289 PolarHBondContact O-OG 3.06Å; H286-R341 PolarHBondContact CD2-NH1 3.44Å; H286-R341 PolarHBondContact CE1-NH2 3.08Å; H286-R341 PolarHBondContact NE2-NH1 2.89Å; H286-R341 PolarHBondContact NE2-NH2 3.24Å |
| 287 | M | 89.8 | Confident | 90.7 | Very high | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.02 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -52.7 | -35.7 | -174.3 | -71.1 | -67 | 128.4 | 0 | 0 | 113.5 | S267 T268 C269 L271 H285 S289 I290 A337 F338 | S267-M287 WeakPolarHBondContact O-CE 3.46Å; T268-M287 VanDerWaalsContact O-CG 3.29Å; T268-M287 WeakPolarHBondContact O-CG 3.47Å; C269-M287 PolarHBondContact O-N 2.93Å; L271-M287 HydrophobicContact CB-CE 4.47Å; L271-M287 HydrophobicContact CD2-CE 3.63Å; L271-M287 HydrophobicContact CG-CE 3.62Å; H285-M287 PolarHBondContact O-N 3.16Å; M287-S289 PolarHBondContact O-N 3.31Å; M287-I290 HydrophobicContact CE-CD1 4.05Å; M287-I290 PolarHBondContact O-N 3.03Å; M287-I290 HydrophobicContact SD-CD1 4.27Å; M287-A337 HydrophobicContact SD-CB 4.44Å; M287-F338 HydrophobicContact SD-CD1 4.47Å; M287-F338 HydrophobicContact SD-CE1 4.43Å |
| 288 | Q | 88.9 | Confident | 90.3 | Very high | 121 Ų | 121 | 52.6 Ų | 52.6 | 57% | 0.565 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -64.2 | -22.7 | 177.1 | -63.4 | 172.8 | -12.1 | 0 | 0 | 113.9 | H286 D352 | H286-Q288 PolarHBondContact CE1-OE1 2.81Å; H286-Q288 PolarHBondContact ND1-OE1 3.28Å; H286-Q288 PolarHBondContact O-N 3.1Å; Q288-D352 PolarHBondContact NE2-OD2 3.41Å |
| 289 | S | 91.4 | Very high | 90.1 | Very high | 33 Ų | 33 | 55.7 Ų | 55.7 | 23% | 0.231 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -86.6 | -16.1 | 177.4 | 96.4 | 0 | 0 | 0 | 0 | 113 | H286 M287 A308 K309 | H286-S289 PolarHBondContact O-N 3.19Å; H286-S289 PolarHBondContact O-OG 3.06Å; M287-S289 PolarHBondContact O-N 3.31Å; S289-A308 CarbonylContact O-C 3.59Å; S289-K309 WeakPolarHBondContact CB-O 3.47Å; S289-K309 PolarHBondContact O-N 2.78Å; S289-K309 VanDerWaalsContact O-N 3.07Å; S289-K309 PolarHBondContact OG-N 2.91Å; S289-K309 PolarHBondContact OG-O 3.02Å; S289-K309 VanDerWaalsContact OG-O 3.14Å |
| 290 | I | 92.1 | Very high | 90.1 | Very high | 11 Ų | 11 | 50.3 Ų | 50.3 | 6% | 0.056 | 29% | 0.289 | C | S | . | . | trans | -84.8 | 124.5 | 179.7 | -52 | 172.6 | 0 | 0 | 0 | 109.2 | L271 H285 M287 Y306 A308 F338 | L271-I290 HydrophobicContact CB-CD1 4.39Å; L271-I290 HydrophobicContact CD1-CD1 3.63Å; L271-I290 HydrophobicContact CG-CD1 3.68Å; H285-I290 HydrophobicContact CB-CD1 4.02Å; H285-I290 HydrophobicContact CB-CG1 4Å; M287-I290 HydrophobicContact CE-CD1 4.05Å; M287-I290 PolarHBondContact O-N 3.03Å; M287-I290 HydrophobicContact SD-CD1 4.27Å; I290-Y306 HydrophobicContact CG2-CD2 4.25Å; I290-A308 HydrophobicContact CG1-CB 4.11Å; I290-F338 HydrophobicContact CB-CE1 4.43Å; I290-F338 HydrophobicContact CB-CZ 3.72Å; I290-F338 HydrophobicContact CG2-CE2 4.18Å; I290-F338 HydrophobicContact CG2-CZ 3.65Å | ||
| 291 | S | 90.3 | Very high | 90 | Very high | 36 Ų | 36 | 49.3 Ų | 49.3 | 25% | 0.252 | 29% | 0.289 | S | S | . | . | trans | -112.7 | -16.4 | -166.3 | 64.1 | 0 | 0 | 0 | 0 | 114.9 | M206 V307 | M206-S291 WeakPolarHBondContact CG-OG 3.38Å; S291-V307 PolarHBondContact N-O 3.41Å; S291-V307 PolarHBondContact OG-O 2.81Å | ||
| 292 | F | 93.3 | Very high | 90 | Very high | 23 Ų | 23 | 47.8 Ų | 47.8 | 10% | 0.101 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.2 | 151 | 176.4 | -173 | -114.4 | 0 | 0 | 0 | 109.4 | M206 F211 R214 T218 Y306 V307 | M206-F292 HydrophobicContact CB-CB 4.35Å; M206-F292 HydrophobicContact CE-CB 3.66Å; M206-F292 HydrophobicContact CE-CD1 3.4Å; M206-F292 VanDerWaalsContact CE-CD1 3.4Å; M206-F292 HydrophobicContact CE-CE1 4.14Å; M206-F292 HydrophobicContact CE-CG 3.64Å; M206-F292 HydrophobicContact CG-CB 3.93Å; F211-F292 HydrophobicContact CD2-CE2 4.22Å; F211-F292 HydrophobicContact CE2-CE2 4.08Å; F211-F292 HydrophobicContact CE2-CZ 4.38Å; R214-F292 HydrophobicContact CB-CD1 4.17Å; R214-F292 HydrophobicContact CB-CD2 4.26Å; R214-F292 HydrophobicContact CB-CE1 3.75Å; R214-F292 HydrophobicContact CB-CE2 3.86Å; R214-F292 HydrophobicContact CB-CG 4.4Å; R214-F292 HydrophobicContact CB-CZ 3.58Å; R214-F292 HydrophobicContact CG-CE2 4.49Å; T218-F292 HydrophobicContact CG2-CD1 3.79Å; T218-F292 HydrophobicContact CG2-CE1 3.79Å; F292-Y306 CarbonylContact O-C 3.6Å; F292-Y306 WeakPolarHBondContact O-CA 3.33Å; F292-V307 HydrophobicContact CB-CB 4.4Å; F292-V307 HydrophobicContact CB-CG2 4.4Å; F292-V307 PolarHBondContact O-N 3.07Å |
| 293 | A | 93.9 | Very high | 90.2 | Very high | 27 Ų | 27 | 46.5 Ų | 46.5 | 22% | 0.223 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 144.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | A305 I331 I334 | A293-A305 CarbonylContact C-O 3.58Å; A293-A305 WeakPolarHBondContact CA-O 3.28Å; A293-I331 HydrophobicContact CB-CD1 3.65Å; A293-I334 HydrophobicContact CB-CG2 4.17Å |
| 294 | S | 94.2 | Very high | 90.5 | Very high | 18 Ų | 18 | 46 Ų | 46 | 13% | 0.126 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 145.3 | -178.1 | -175.6 | 0 | 0 | 0 | 0 | 110.4 | A305 | S294-A305 PolarHBondContact N-O 2.79Å; S294-A305 PolarHBondContact O-N 2.84Å; S294-A305 VanDerWaalsContact O-O 3.07Å |
| 295 | G | 91.6 | Very high | 90.7 | Very high | 28 Ų | 28 | 41.7 Ų | 41.7 | 29% | 0.289 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 170.2 | 158.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y303 | G295-Y303 CarbonylContact C-O 3.45Å |
| 296 | G | 87.5 | Confident | 90.8 | Very high | 23 Ų | 23 | 41.6 Ų | 41.6 | 24% | 0.237 | 25% | 0.248 | C | C | . | . | trans | -75.4 | -160.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114 | Y303 | G296-Y303 PolarHBondContact N-O 3Š| ||
| 297 | D | 85.9 | Confident | 90.9 | Very high | 21 Ų | 21 | 38.2 Ų | 38.2 | 11% | 0.112 | 23% | 0.232 | C | C | . | . | trans | -88.6 | 169.1 | -175.7 | -69.1 | 3.7 | 0 | 0 | 0 | 111.4 | R219 D299 T300 T301 | R219-D297 WeakPolarHBondContact CD-OD1 3.39Å; R219-D297 WeakPolarHBondContact CD-OD2 3.39Å; R219-D297 WeakPolarHBondContact CG-OD1 3.33Å; R219-D297 WeakPolarHBondContact CG-OD2 3.47Å; R219-D297 IonicContact CZ-OD1 2.7Å; R219-D297 IonicContact CZ-OD2 2.87Å; R219-D297 IonicContact NE-OD1 2.92Å; R219-D297 PolarHBondContact NE-OD1 3.42Å; R219-D297 IonicContact NE-OD2 2.66Å; R219-D297 PolarHBondContact NE-OD2 2.91Å; R219-D297 IonicContact NH1-OD1 2.84Å; R219-D297 PolarHBondContact NH1-OD1 3.01Å; R219-D297 IonicContact NH1-OD2 3.87Å; R219-D297 PolarHBondContact NH1-OD2 3.21Å; R219-D297 IonicContact NH2-OD1 3.93Å; R219-D297 PolarHBondContact NH2-OD1 3.3Å; R219-D297 VanDerWaalsContact NH2-OD1 3.08Å; R219-D297 IonicContact NH2-OD2 3.04Å; D297-D299 HydrophobicContact CB-CB 4.48Å; D297-D299 PolarHBondContact O-N 3.5Å; D297-D299 VanDerWaalsContact O-N 3.1Å; D297-T300 WeakPolarHBondContact CB-OG1 3.47Å; D297-T300 PolarHBondContact N-OG1 3.27Å; D297-T300 CarbonylContact O-C 3.53Å; D297-T300 PolarHBondContact O-N 3.1Å; D297-T301 WeakPolarHBondContact O-CA 3.25Å; D297-T301 VanDerWaalsContact O-CG2 3.25Å; D297-T301 WeakPolarHBondContact O-CG2 3.39Å; D297-T301 PolarHBondContact O-N 3Å | ||
| 298 | P | 83.3 | Confident | 91.1 | Very high | 116 Ų | 116 | 38 Ų | 38 | 75% | 0.753 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -22 | 162.9 | -26.1 | 36.3 | 0 | 0 | 0 | 114.1 | ||
| 299 | D | 84.9 | Confident | 91.2 | Very high | 152 Ų | 152 | 38 Ų | 38 | 81% | 0.813 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -12.1 | 173.5 | -61.1 | -64.5 | 0 | 0 | 0 | 113.5 | D297 | D297-D299 HydrophobicContact CB-CB 4.48Å; D297-D299 PolarHBondContact O-N 3.5Å; D297-D299 VanDerWaalsContact O-N 3.1Å |
| 300 | T | 87.3 | Confident | 90.7 | Very high | 36 Ų | 36 | 37.1 Ų | 37.1 | 22% | 0.221 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -137.4 | 41.2 | -177.3 | 59.3 | 0 | 0 | 0 | 0 | 111.7 | D297 D302 Y303 | D297-T300 WeakPolarHBondContact CB-OG1 3.47Å; D297-T300 PolarHBondContact N-OG1 3.27Å; D297-T300 CarbonylContact O-C 3.53Å; D297-T300 PolarHBondContact O-N 3.1Å; T300-D302 PolarHBondContact O-N 3.36Å; T300-D302 VanDerWaalsContact O-N 3.16Å; T300-Y303 PolarHBondContact O-N 3.19Å |
| 301 | T | 88.7 | Confident | 90 | Very high | 83 Ų | 83 | 42.5 Ų | 42.5 | 51% | 0.509 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -28.3 | -172.3 | 47 | 0 | 0 | 0 | 0 | 114.1 | D297 Y303 A327 | D297-T301 WeakPolarHBondContact O-CA 3.25Å; D297-T301 VanDerWaalsContact O-CG2 3.25Å; D297-T301 WeakPolarHBondContact O-CG2 3.39Å; D297-T301 PolarHBondContact O-N 3Å; T301-Y303 PolarHBondContact O-N 3.03Å; T301-A327 WeakPolarHBondContact O-CB 3.26Å |
| 302 | D | 92 | Very high | 89.3 | Confident | 62 Ų | 62 | 46.5 Ų | 46.5 | 33% | 0.332 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -4.1 | 179.5 | -57 | -66.3 | 0 | 0 | 0 | 113.2 | T300 C322 | T300-D302 PolarHBondContact O-N 3.36Å; T300-D302 VanDerWaalsContact O-N 3.16Å; D302-C322 WeakPolarHBondContact O-CA 3.29Å; D302-C322 WeakPolarHBondContact O-CB 3.4Å; D302-C322 PolarHBondContact O-N 3.4Å |
| 303 | Y | 93.2 | Very high | 88.3 | Confident | 8 Ų | 8 | 47.3 Ų | 47.3 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 135.2 | -177.4 | -65.6 | -96.9 | 0 | 0 | 0 | 112.4 | M197 I222 C226 G295 G296 T300 T301 I319 L320 E321 | M197-Y303 HydrophobicContact CG-CD1 4.43Å; M197-Y303 HydrophobicContact CG-CE1 4.09Å; M197-Y303 HydrophobicContact SD-CE1 4.14Å; I222-Y303 HydrophobicContact CG2-CD1 4.05Å; I222-Y303 HydrophobicContact CG2-CD2 4.5Å; I222-Y303 HydrophobicContact CG2-CG 3.9Å; C226-Y303 WeakPolarHBondContact SG-CE1 3.29Å; C226-Y303 VanDerWaalsContact SG-CZ 3.56Å; G295-Y303 CarbonylContact C-O 3.45Å; G296-Y303 PolarHBondContact N-O 3Å; T300-Y303 PolarHBondContact O-N 3.19Å; T301-Y303 PolarHBondContact O-N 3.03Å; Y303-I319 HydrophobicContact CD1-CG2 4.12Å; Y303-L320 CarbonylContact C-O 3.53Å; Y303-L320 WeakPolarHBondContact CA-O 3.36Å; Y303-E321 HydrophobicContact CD1-CB 4.25Å; Y303-E321 HydrophobicContact CE1-CB 3.92Å; Y303-E321 HydrophobicContact CE1-CG 4Å; Y303-E321 PolarHBondContact OH-OE1 3.34Å |
| 304 | V | 94.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 133 | 171.3 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | I319 L320 A327 V330 I331 I334 | V304-I319 WeakPolarHBondContact O-CA 3.39Å; V304-L320 HydrophobicContact CB-CB 4.48Å; V304-L320 PolarHBondContact N-O 2.88Å; V304-L320 PolarHBondContact O-N 2.96Å; V304-A327 HydrophobicContact CG2-CB 3.7Å; V304-A327 WeakPolarHBondContact CG2-O 3.32Å; V304-V330 HydrophobicContact CG1-CG1 4.29Å; V304-V330 HydrophobicContact CG2-CB 4.44Å; V304-V330 HydrophobicContact CG2-CG1 4.3Å; V304-I331 HydrophobicContact CG1-CD1 4.3Å; V304-I334 HydrophobicContact CG1-CD1 4.48Å |
| 305 | A | 95.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 135.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | T218 I222 A293 S294 H318 I319 | T218-A305 HydrophobicContact CG2-CB 4.17Å; I222-A305 HydrophobicContact CD1-CB 3.98Å; I222-A305 HydrophobicContact CG1-CB 4.12Å; A293-A305 CarbonylContact C-O 3.58Å; A293-A305 WeakPolarHBondContact CA-O 3.28Å; S294-A305 PolarHBondContact N-O 2.79Å; S294-A305 PolarHBondContact O-N 2.84Å; S294-A305 VanDerWaalsContact O-O 3.07Å; A305-H318 WeakPolarHBondContact CA-O 3.48Å; A305-I319 HydrophobicContact CB-CG1 4Å |
| 306 | Y | 95.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 149.2 | 173.6 | 69 | -86.3 | 0 | 0 | 0 | 111.4 | L271 L273 H285 I290 F292 A308 C317 H318 L320 | L271-Y306 HydrophobicContact CD1-CD1 4.39Å; L271-Y306 HydrophobicContact CD1-CD2 4.14Å; L271-Y306 HydrophobicContact CD1-CE1 4.32Å; L271-Y306 HydrophobicContact CD1-CE2 4.07Å; L271-Y306 HydrophobicContact CD1-CG 4.31Å; L273-Y306 VanDerWaalsContact CD1-OH 3.31Å; L273-Y306 WeakPolarHBondContact CD1-OH 3.39Å; L273-Y306 WeakPolarHBondContact CD2-OH 2.96Å; H285-Y306 AromaticContact CE1-CE2 3.92Å; H285-Y306 PolarHBondContact CE1-OH 3.29Å; H285-Y306 VanDerWaalsContact CE1-OH 3.28Å; H285-Y306 AromaticContact ND1-CE2 3.4Å; H285-Y306 WeakPolarHBondContact ND1-CE2 3.09Å; H285-Y306 AromaticContact ND1-CZ 3.67Å; H285-Y306 PolarHBondContact ND1-OH 2.85Å; H285-Y306 VanDerWaalsContact ND1-OH 3.08Å; I290-Y306 HydrophobicContact CG2-CD2 4.25Å; F292-Y306 CarbonylContact O-C 3.6Å; F292-Y306 WeakPolarHBondContact O-CA 3.33Å; Y306-A308 HydrophobicContact CD2-CB 4.14Å; Y306-A308 HydrophobicContact CE2-CB 3.97Å; Y306-C317 CarbonylContact O-C 3.58Å; Y306-C317 WeakPolarHBondContact O-CA 3.37Å; Y306-H318 HydrophobicContact CD1-CB 4.28Å; Y306-H318 HydrophobicContact CD2-CB 4.47Å; Y306-H318 HydrophobicContact CE1-CB 3.66Å; Y306-H318 HydrophobicContact CE2-CB 3.87Å; Y306-H318 AromaticContact CE2-CD2 3.86Å; Y306-H318 VanDerWaalsContact CZ-CB 3.41Å; Y306-H318 AromaticContact CZ-CG 3.87Å; Y306-H318 PolarHBondContact N-O 3.07Å; Y306-H318 PolarHBondContact O-N 2.76Å; Y306-H318 WeakPolarHBondContact OH-CB 3.33Å; Y306-L320 HydrophobicContact CD1-CD1 4.46Å; Y306-L320 HydrophobicContact CE1-CD1 4.02Å; Y306-L320 HydrophobicContact CE1-CG 4.32Å |
| 307 | V | 94.7 | Very high | 88 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 99.2 | -173.1 | -173.6 | 0 | 0 | 0 | 0 | 110.2 | V202 M206 T218 S291 F292 R315 A316 C317 | V202-V307 HydrophobicContact CG2-CG1 4.11Å; M206-V307 HydrophobicContact CE-CG2 3.95Å; M206-V307 HydrophobicContact CG-CB 4.09Å; M206-V307 HydrophobicContact CG-CG1 3.9Å; M206-V307 HydrophobicContact CG-CG2 4.34Å; M206-V307 HydrophobicContact SD-CB 4.41Å; M206-V307 HydrophobicContact SD-CG1 4.18Å; M206-V307 HydrophobicContact SD-CG2 4.06Å; T218-V307 HydrophobicContact CG2-CG2 4.4Å; S291-V307 PolarHBondContact N-O 3.41Å; S291-V307 PolarHBondContact OG-O 2.81Å; F292-V307 HydrophobicContact CB-CB 4.4Å; F292-V307 HydrophobicContact CB-CG2 4.4Å; F292-V307 PolarHBondContact O-N 3.07Å; V307-R315 HydrophobicContact CG1-CG 3.94Å; V307-A316 CarbonylContact C-O 3.49Å; V307-A316 WeakPolarHBondContact CA-O 3.34Å; V307-C317 HydrophobicContact CG2-CB 3.98Å |
| 308 | A | 94.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 169.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | H285 S289 I290 Y306 R315 A316 | H285-A308 HydrophobicContact CB-CB 4Å; S289-A308 CarbonylContact O-C 3.59Å; I290-A308 HydrophobicContact CG1-CB 4.11Å; Y306-A308 HydrophobicContact CD2-CB 4.14Å; Y306-A308 HydrophobicContact CE2-CB 3.97Å; A308-R315 WeakPolarHBondContact O-CA 3.34Å; A308-A316 PolarHBondContact N-O 3.12Å; A308-A316 PolarHBondContact O-N 3.45Å |
| 309 | K | 90.8 | Very high | 88.9 | Confident | 122 Ų | 122 | 43.7 Ų | 43.7 | 53% | 0.53 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 115.7 | 163.8 | -170.3 | -170.7 | 176.5 | -170.3 | 0 | 110 | S289 Q314 | S289-K309 WeakPolarHBondContact CB-O 3.47Å; S289-K309 PolarHBondContact O-N 2.78Å; S289-K309 VanDerWaalsContact O-N 3.07Å; S289-K309 PolarHBondContact OG-N 2.91Å; S289-K309 PolarHBondContact OG-O 3.02Å; S289-K309 VanDerWaalsContact OG-O 3.14Å; K309-Q314 CarbonylContact C-O 3.57Å; K309-Q314 WeakPolarHBondContact CA-O 3.1Å |
| 310 | D | 81.9 | Confident | 89.4 | Confident | 14 Ų | 14 | 36.4 Ų | 36.4 | 8% | 0.075 | 20% | 0.197 | C | C | . | . | trans | -93.2 | 155.9 | 168.3 | -85.9 | -38.7 | 0 | 0 | 0 | 111.3 | H285 V312 N313 Q314 H318 | H285-D310 IonicContact CD2-OD1 3.07Å; H285-D310 PolarHBondContact CD2-OD1 3.43Å; H285-D310 IonicContact CD2-OD2 3.95Å; H285-D310 IonicContact NE2-OD1 2.76Å; H285-D310 PolarHBondContact NE2-OD1 2.89Å; H285-D310 IonicContact NE2-OD2 3.36Å; H285-D310 PolarHBondContact NE2-OD2 3.2Å; D310-V312 VanDerWaalsContact C-N 3.25Å; D310-N313 HydrophobicContact CB-CB 4Å; D310-N313 PolarHBondContact OD2-ND2 3.16Å; D310-Q314 PolarHBondContact N-O 3.18Å; D310-Q314 WeakPolarHBondContact O-CA 3.38Å; D310-Q314 PolarHBondContact O-N 3.15Å; D310-H318 IonicContact OD2-CE1 3.29Å; D310-H318 PolarHBondContact OD2-CE1 3.28Å; D310-H318 VanDerWaalsContact OD2-CE1 3.28Å; D310-H318 IonicContact OD2-NE2 3.89Å | ||
| 311 | P | 75.9 | Confident | 89.7 | Confident | 123 Ų | 123 | 34.9 Ų | 34.9 | 80% | 0.799 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -63.4 | -32.5 | 161 | -19.5 | 32.7 | 0 | 0 | 0 | 112.6 | ||
| 312 | V | 76.4 | Confident | 89.9 | Confident | 120 Ų | 120 | 31 Ų | 31 | 73% | 0.727 | 16% | 0.163 | S | C | * | . | S | Bend | trans | -90.2 | -55.3 | -172.9 | 178.5 | 0 | 0 | 0 | 0 | 111.9 | D310 Q314 | D310-V312 VanDerWaalsContact C-N 3.25Å; V312-Q314 VanDerWaalsContact C-N 3.26Å; V312-Q314 PolarHBondContact O-N 3.29Å |
| 313 | N | 72.1 | Confident | 89.5 | Confident | 40 Ų | 40 | 31.4 Ų | 31.4 | 21% | 0.214 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -85.4 | 7.5 | -176.2 | -57.8 | -66.4 | 0 | 0 | 0 | 113.6 | N254 D310 R315 A316 | N254-N313 PolarHBondContact ND2-OD1 2.75Å; D310-N313 HydrophobicContact CB-CB 4Å; D310-N313 PolarHBondContact OD2-ND2 3.16Å; N313-R315 PolarHBondContact O-N 3.31Å; N313-A316 HydrophobicContact CB-CB 3.93Å |
| 314 | Q | 81.5 | Confident | 89 | Confident | 113 Ų | 113 | 36.1 Ų | 36.1 | 53% | 0.528 | 20% | 0.197 | S | C | . | . | S | Bend | trans | 47.5 | -131.7 | -164.1 | -68.6 | -68.6 | -10.3 | 0 | 0 | 110.3 | K309 D310 V312 | K309-Q314 CarbonylContact C-O 3.57Å; K309-Q314 WeakPolarHBondContact CA-O 3.1Å; D310-Q314 PolarHBondContact N-O 3.18Å; D310-Q314 WeakPolarHBondContact O-CA 3.38Å; D310-Q314 PolarHBondContact O-N 3.15Å; V312-Q314 VanDerWaalsContact C-N 3.26Å; V312-Q314 PolarHBondContact O-N 3.29Å |
| 315 | R | 91.8 | Very high | 88.4 | Confident | 43 Ų | 43 | 38 Ų | 38 | 16% | 0.162 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 116.5 | 173.1 | 178.5 | 167.5 | 147 | -89.8 | -3.1 | 110.2 | V202 Q204 M206 V307 A308 N313 | V202-R315 PolarHBondContact N-O 2.77Å; V202-R315 PolarHBondContact O-NH1 2.97Å; Q204-R315 VanDerWaalsContact C-NH1 3.26Å; Q204-R315 PolarHBondContact O-NH1 3.11Å; Q204-R315 PolarHBondContact O-NH2 2.95Å; M206-R315 PolarHBondContact SD-NH2 3.24Å; V307-R315 HydrophobicContact CG1-CG 3.94Å; A308-R315 WeakPolarHBondContact O-CA 3.34Å; N313-R315 PolarHBondContact O-N 3.31Å |
| 316 | A | 93.8 | Very high | 88.1 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 150.9 | -176 | 0 | 0 | 0 | 0 | 0 | 112.2 | C199 I200 V307 A308 N313 H318 | C199-A316 HydrophobicContact CB-CB 4.14Å; I200-A316 CarbonylContact O-C 3.54Å; I200-A316 WeakPolarHBondContact O-CA 3.11Å; V307-A316 CarbonylContact C-O 3.49Å; V307-A316 WeakPolarHBondContact CA-O 3.34Å; A308-A316 PolarHBondContact N-O 3.12Å; A308-A316 PolarHBondContact O-N 3.45Å; N313-A316 HydrophobicContact CB-CB 3.93Å; A316-H318 PolarHBondContact O-CD2 2.95Å |
| 317 | C | 94.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 110.1 | 168.8 | -174.2 | 0 | 0 | 0 | 0 | 108.5 | C199 I200 V202 Y306 V307 | C199-C317 CarbonylContact C-O 3.6Å; C199-C317 WeakPolarHBondContact CA-O 3.36Å; C199-C317 VanDerWaalsContact CB-O 3.27Å; C199-C317 WeakPolarHBondContact CB-O 3.5Å; I200-C317 PolarHBondContact N-O 2.81Å; I200-C317 PolarHBondContact O-N 2.86Å; V202-C317 HydrophobicContact CG2-CB 3.76Å; Y306-C317 CarbonylContact O-C 3.58Å; Y306-C317 WeakPolarHBondContact O-CA 3.37Å; V307-C317 HydrophobicContact CG2-CB 3.98Å |
| 318 | H | 94.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 139.3 | 177.1 | -59.3 | -96.9 | 0 | 0 | 0 | 109.4 | Y196 C199 H285 A305 Y306 D310 A316 | Y196-H318 HydrophobicContact CE2-CB 4.22Å; Y196-H318 AromaticContact CZ-ND1 3.94Å; Y196-H318 PolarHBondContact OH-ND1 3.46Å; C199-H318 HydrophobicContact CB-CB 4.33Å; H285-H318 AromaticContact CE1-CD2 3.79Å; H285-H318 AromaticContact CE1-CE1 3.45Å; H285-H318 PolarHBondContact CE1-CE1 2.9Å; H285-H318 VanDerWaalsContact CE1-CE1 3.45Å; H285-H318 AromaticContact CE1-CG 3.94Å; H285-H318 AromaticContact CE1-ND1 3.74Å; H285-H318 AromaticContact CE1-NE2 3.51Å; H285-H318 AromaticContact NE2-CE1 3.48Å; H285-H318 PolarHBondContact NE2-CE1 2.87Å; H285-H318 AromaticContact NE2-NE2 3.37Å; H285-H318 PolarHBondContact NE2-NE2 3.19Å; A305-H318 WeakPolarHBondContact CA-O 3.48Å; Y306-H318 HydrophobicContact CD1-CB 4.28Å; Y306-H318 HydrophobicContact CD2-CB 4.47Å; Y306-H318 HydrophobicContact CE1-CB 3.66Å; Y306-H318 HydrophobicContact CE2-CB 3.87Å; Y306-H318 AromaticContact CE2-CD2 3.86Å; Y306-H318 VanDerWaalsContact CZ-CB 3.41Å; Y306-H318 AromaticContact CZ-CG 3.87Å; Y306-H318 PolarHBondContact N-O 3.07Å; Y306-H318 PolarHBondContact O-N 2.76Å; Y306-H318 WeakPolarHBondContact OH-CB 3.33Å; D310-H318 IonicContact OD2-CE1 3.29Å; D310-H318 PolarHBondContact OD2-CE1 3.28Å; D310-H318 VanDerWaalsContact OD2-CE1 3.28Å; D310-H318 IonicContact OD2-NE2 3.89Å; A316-H318 PolarHBondContact O-CD2 2.95Å |
| 319 | I | 94.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 134.6 | -172.4 | -67.9 | 152 | 0 | 0 | 0 | 110.3 | M197 G198 A221 I222 L225 Y303 V304 A305 | M197-I319 HydrophobicContact CB-CB 4.24Å; M197-I319 HydrophobicContact CB-CG2 3.93Å; M197-I319 HydrophobicContact CG-CG2 4.06Å; M197-I319 PolarHBondContact N-O 3.13Å; G198-I319 PolarHBondContact O-N 3.27Å; G198-I319 VanDerWaalsContact O-N 3.11Å; A221-I319 HydrophobicContact CB-CD1 3.99Å; A221-I319 WeakPolarHBondContact O-CD1 3.34Å; I222-I319 HydrophobicContact CG1-CD1 4.19Å; I222-I319 HydrophobicContact CG1-CG1 4.05Å; I222-I319 HydrophobicContact CG1-CG2 4.08Å; L225-I319 HydrophobicContact CB-CD1 4.1Å; L225-I319 HydrophobicContact CD2-CB 3.84Å; L225-I319 HydrophobicContact CD2-CD1 3.68Å; L225-I319 HydrophobicContact CD2-CG1 4.34Å; L225-I319 HydrophobicContact CD2-CG2 4.34Å; Y303-I319 HydrophobicContact CD1-CG2 4.12Å; V304-I319 WeakPolarHBondContact O-CA 3.39Å; A305-I319 HydrophobicContact CB-CG1 4Å |
| 320 | L | 94.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 130.4 | -174.1 | -55.3 | 176.2 | 0 | 0 | 0 | 110 | V194 R195 Y196 I262 L264 L273 Y303 V304 Y306 | V194-L320 HydrophobicContact CG2-CB 4.41Å; V194-L320 HydrophobicContact CG2-CD1 4.34Å; V194-L320 HydrophobicContact CG2-CD2 4.12Å; R195-L320 WeakPolarHBondContact O-CA 3.36Å; Y196-L320 HydrophobicContact CD2-CD2 3.75Å; I262-L320 HydrophobicContact CD1-CD2 4Å; L264-L320 HydrophobicContact CD2-CD1 3.87Å; L273-L320 HydrophobicContact CD2-CD2 4.48Å; Y303-L320 CarbonylContact C-O 3.53Å; Y303-L320 WeakPolarHBondContact CA-O 3.36Å; V304-L320 HydrophobicContact CB-CB 4.48Å; V304-L320 PolarHBondContact N-O 2.88Å; V304-L320 PolarHBondContact O-N 2.96Å; Y306-L320 HydrophobicContact CD1-CD1 4.46Å; Y306-L320 HydrophobicContact CE1-CD1 4.02Å; Y306-L320 HydrophobicContact CE1-CG 4.32Å |
| 321 | E | 93.5 | Very high | 88.4 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.019 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 101 | 171.8 | -175.8 | -170.5 | -144.6 | 0 | 0 | 108.7 | R195 M197 N233 Y303 H323 | R195-E321 HydrophobicContact CB-CB 4.25Å; R195-E321 WeakPolarHBondContact CD-OE2 3.38Å; R195-E321 IonicContact CZ-OE2 3.59Å; R195-E321 PolarHBondContact N-O 3.35Å; R195-E321 IonicContact NE-OE2 3.83Å; R195-E321 IonicContact NH1-OE1 3.73Å; R195-E321 IonicContact NH1-OE2 3.24Å; R195-E321 PolarHBondContact NH1-OE2 3.1Å; R195-E321 PolarHBondContact O-N 3.25Å; M197-E321 HydrophobicContact CE-CB 3.9Å; M197-E321 WeakPolarHBondContact CE-OE2 3.25Å; M197-E321 HydrophobicContact CG-CB 4.07Å; M197-E321 HydrophobicContact SD-CB 4.17Å; N233-E321 PolarHBondContact N-OE1 2.95Å; Y303-E321 HydrophobicContact CD1-CB 4.25Å; Y303-E321 HydrophobicContact CE1-CB 3.92Å; Y303-E321 HydrophobicContact CE1-CG 4Å; Y303-E321 PolarHBondContact OH-OE1 3.34Å; E321-H323 VanDerWaalsContact CD-CE1 3.48Å; E321-H323 PolarHBondContact O-ND1 3.1Å; E321-H323 IonicContact OE2-CE1 2.89Å; E321-H323 PolarHBondContact OE2-CE1 3.45Å; E321-H323 VanDerWaalsContact OE2-CE1 3.29Å; E321-H323 IonicContact OE2-NE2 3.08Å |
| 322 | C | 92.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -100 | 92.5 | -174.2 | -59.2 | 0 | 0 | 0 | 0 | 109.7 | V194 D302 M326 A327 | V194-C322 HydrophobicContact CG1-CB 4.22Å; V194-C322 VanDerWaalsContact CG1-SG 3.51Å; D302-C322 WeakPolarHBondContact O-CA 3.29Å; D302-C322 WeakPolarHBondContact O-CB 3.4Å; D302-C322 PolarHBondContact O-N 3.4Å; C322-M326 HydrophobicContact CB-CB 4.43Å; C322-A327 HydrophobicContact CB-CB 3.89Å | ||
| 323 | H | 85.1 | Confident | 90.1 | Very high | 72 Ų | 72 | 37.8 Ų | 37.8 | 33% | 0.333 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -64.7 | 161.3 | -175.3 | -63.4 | 61.3 | 0 | 0 | 0 | 111.9 | R195 E321 G325 M326 | R195-H323 PolarHBondContact NH1-CE1 3.4Å; R195-H323 VanDerWaalsContact NH1-CE1 3.32Å; R195-H323 PolarHBondContact NH1-NE2 2.82Å; E321-H323 VanDerWaalsContact CD-CE1 3.48Å; E321-H323 PolarHBondContact O-ND1 3.1Å; E321-H323 IonicContact OE2-CE1 2.89Å; E321-H323 PolarHBondContact OE2-CE1 3.45Å; E321-H323 VanDerWaalsContact OE2-CE1 3.29Å; E321-H323 IonicContact OE2-NE2 3.08Å; H323-G325 VanDerWaalsContact C-N 3.33Å; H323-G325 PolarHBondContact O-N 3.06Å; H323-M326 WeakPolarHBondContact O-CG 3.3Å; H323-M326 PolarHBondContact O-N 3.06Å |
| 324 | S | 82.1 | Confident | 91.1 | Very high | 106 Ų | 106 | 35.9 Ų | 35.9 | 74% | 0.741 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | 59.5 | 31.1 | 177.2 | 58 | 0 | 0 | 0 | 0 | 115.8 | M326 | S324-M326 PolarHBondContact O-N 3.25Š|
| 325 | G | 82 | Confident | 91.6 | Very high | 40 Ų | 40 | 32.4 Ų | 32.4 | 41% | 0.412 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | 76 | -0.2 | 177 | 0 | 0 | 0 | 0 | 0 | 115.3 | H323 A327 Q328 | H323-G325 VanDerWaalsContact C-N 3.33Å; H323-G325 PolarHBondContact O-N 3.06Å; G325-A327 PolarHBondContact O-N 3.42Å; G325-Q328 PolarHBondContact O-N 3.03Å |
| 326 | M | 89.6 | Confident | 91.6 | Very high | 77 Ų | 77 | 33.2 Ų | 33.2 | 38% | 0.379 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59.1 | -14.4 | 178.4 | -62.5 | -71 | 92.5 | 0 | 0 | 113.5 | C322 H323 S324 Q328 D329 V330 | C322-M326 HydrophobicContact CB-CB 4.43Å; H323-M326 WeakPolarHBondContact O-CG 3.3Å; H323-M326 PolarHBondContact O-N 3.06Å; S324-M326 PolarHBondContact O-N 3.25Å; M326-Q328 PolarHBondContact O-N 2.9Å; M326-D329 WeakPolarHBondContact CE-OD2 3.3Å; M326-D329 PolarHBondContact O-N 3.43Å; M326-V330 WeakPolarHBondContact O-CB 3.41Å; M326-V330 WeakPolarHBondContact O-CG2 3.31Å; M326-V330 PolarHBondContact O-N 2.95Å |
| 327 | A | 91.5 | Very high | 91.5 | Very high | 4 Ų | 4 | 33.1 Ų | 33.1 | 3% | 0.033 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -50.8 | -41.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113 | T301 V304 C322 G325 I331 | T301-A327 WeakPolarHBondContact O-CB 3.26Å; V304-A327 HydrophobicContact CG2-CB 3.7Å; V304-A327 WeakPolarHBondContact CG2-O 3.32Å; C322-A327 HydrophobicContact CB-CB 3.89Å; G325-A327 PolarHBondContact O-N 3.42Å; A327-I331 WeakPolarHBondContact O-CG2 3.5Å; A327-I331 PolarHBondContact O-N 2.65Å |
| 328 | Q | 91.4 | Very high | 91.3 | Very high | 115 Ų | 115 | 36.3 Ų | 36.3 | 54% | 0.537 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -69.5 | -40.3 | -179.6 | -171.6 | 61.5 | 68.1 | 0 | 0 | 111.7 | G325 M326 I331 N332 | G325-Q328 PolarHBondContact O-N 3.03Å; M326-Q328 PolarHBondContact O-N 2.9Å; Q328-I331 WeakPolarHBondContact O-CG2 3.25Å; Q328-N332 PolarHBondContact NE2-OD1 2.9Å; Q328-N332 VanDerWaalsContact O-CB 3.25Å; Q328-N332 WeakPolarHBondContact O-CB 3.43Å; Q328-N332 PolarHBondContact O-N 3.44Å; Q328-N332 PolarHBondContact O-ND2 3Å; Q328-N332 PolarHBondContact O-OD1 2.99Å |
| 329 | D | 92.4 | Very high | 91.1 | Very high | 72 Ų | 72 | 41.1 Ų | 41.1 | 39% | 0.385 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -70.8 | -37.7 | 178.1 | -65.1 | -38.9 | 0 | 0 | 0 | 111.6 | M326 T333 | M326-D329 WeakPolarHBondContact CE-OD2 3.3Å; M326-D329 PolarHBondContact O-N 3.43Å; D329-T333 VanDerWaalsContact O-CB 3.26Å; D329-T333 WeakPolarHBondContact O-CB 3.42Å; D329-T333 PolarHBondContact O-N 3.34Å; D329-T333 PolarHBondContact O-OG1 3.2Å |
| 330 | V | 93.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.2 | -51.9 | 173.2 | 169.4 | 0 | 0 | 0 | 0 | 110.8 | Y192 L264 I266 V304 M326 N332 T333 I334 | Y192-V330 HydrophobicContact CD1-CG2 3.52Å; Y192-V330 HydrophobicContact CD2-CG2 4.3Å; Y192-V330 HydrophobicContact CE1-CG2 3.97Å; Y192-V330 HydrophobicContact CG-CG2 3.72Å; L264-V330 HydrophobicContact CD2-CG1 3.87Å; I266-V330 HydrophobicContact CD1-CG1 4.35Å; V304-V330 HydrophobicContact CG1-CG1 4.29Å; V304-V330 HydrophobicContact CG2-CB 4.44Å; V304-V330 HydrophobicContact CG2-CG1 4.3Å; M326-V330 WeakPolarHBondContact O-CB 3.41Å; M326-V330 WeakPolarHBondContact O-CG2 3.31Å; M326-V330 PolarHBondContact O-N 2.95Å; V330-N332 VanDerWaalsContact C-N 3.35Å; V330-N332 PolarHBondContact O-N 2.91Å; V330-T333 PolarHBondContact O-N 2.97Å; V330-T333 VanDerWaalsContact O-N 3.15Å; V330-I334 HydrophobicContact CG1-CD1 3.94Å; V330-I334 WeakPolarHBondContact O-CG1 3.39Å; V330-I334 PolarHBondContact O-N 2.86Å |
| 331 | I | 93.6 | Very high | 90.5 | Very high | 31 Ų | 31 | 44 Ų | 44 | 16% | 0.159 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.3 | -36.2 | -179.5 | -167.2 | 62.2 | 0 | 0 | 0 | 112.2 | A293 V304 A327 Q328 T333 G335 | A293-I331 HydrophobicContact CB-CD1 3.65Å; V304-I331 HydrophobicContact CG1-CD1 4.3Å; A327-I331 WeakPolarHBondContact O-CG2 3.5Å; A327-I331 PolarHBondContact O-N 2.65Å; Q328-I331 WeakPolarHBondContact O-CG2 3.25Å; I331-T333 VanDerWaalsContact C-N 3.3Å; I331-T333 PolarHBondContact O-N 3.19Å; I331-G335 PolarHBondContact O-N 3.37Å |
| 332 | N | 93.4 | Very high | 90.1 | Very high | 73 Ų | 73 | 49.9 Ų | 49.9 | 39% | 0.39 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.4 | -37.3 | 172.7 | -71.6 | -11.3 | 0 | 0 | 0 | 112 | Q328 V330 Q336 | Q328-N332 PolarHBondContact NE2-OD1 2.9Å; Q328-N332 VanDerWaalsContact O-CB 3.25Å; Q328-N332 WeakPolarHBondContact O-CB 3.43Å; Q328-N332 PolarHBondContact O-N 3.44Å; Q328-N332 PolarHBondContact O-ND2 3Å; Q328-N332 PolarHBondContact O-OD1 2.99Å; V330-N332 VanDerWaalsContact C-N 3.35Å; V330-N332 PolarHBondContact O-N 2.91Å; N332-Q336 WeakPolarHBondContact O-CG 3.49Å; N332-Q336 PolarHBondContact O-N 3.06Å; N332-Q336 PolarHBondContact O-NE2 2.92Å |
| 333 | T | 93.8 | Very high | 89.8 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.012 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -77.8 | -36.9 | -178.4 | -55.2 | 0 | 0 | 0 | 0 | 111.5 | F181 L185 M190 Y192 I266 D329 V330 I331 Q336 A337 | F181-T333 HydrophobicContact CZ-CG2 4Å; L185-T333 HydrophobicContact CD1-CG2 4.27Å; L185-T333 HydrophobicContact CD2-CG2 4.17Å; L185-T333 HydrophobicContact CG-CG2 4.47Å; M190-T333 HydrophobicContact CB-CG2 4.27Å; M190-T333 HydrophobicContact CG-CG2 4.47Å; M190-T333 HydrophobicContact SD-CG2 3.78Å; Y192-T333 HydrophobicContact CE2-CG2 4.26Å; Y192-T333 PolarHBondContact OH-OG1 3.21Å; I266-T333 HydrophobicContact CB-CG2 4.33Å; I266-T333 HydrophobicContact CD1-CG2 4.03Å; I266-T333 HydrophobicContact CG2-CG2 4.08Å; D329-T333 VanDerWaalsContact O-CB 3.26Å; D329-T333 WeakPolarHBondContact O-CB 3.42Å; D329-T333 PolarHBondContact O-N 3.34Å; D329-T333 PolarHBondContact O-OG1 3.2Å; V330-T333 PolarHBondContact O-N 2.97Å; V330-T333 VanDerWaalsContact O-N 3.15Å; I331-T333 VanDerWaalsContact C-N 3.3Å; I331-T333 PolarHBondContact O-N 3.19Å; T333-Q336 PolarHBondContact O-N 3.45Å; T333-A337 WeakPolarHBondContact O-CB 3.39Å; T333-A337 PolarHBondContact O-N 3.42Å |
| 334 | I | 93.6 | Very high | 89.6 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.3 | -47.4 | 168 | -65.9 | 171.5 | 0 | 0 | 0 | 110.1 | I266 L271 A293 V304 V330 Q336 A337 F338 | I266-I334 HydrophobicContact CD1-CG1 4.01Å; L271-I334 HydrophobicContact CD1-CD1 4.32Å; L271-I334 HydrophobicContact CD2-CG1 4.28Å; A293-I334 HydrophobicContact CB-CG2 4.17Å; V304-I334 HydrophobicContact CG1-CD1 4.48Å; V330-I334 HydrophobicContact CG1-CD1 3.94Å; V330-I334 WeakPolarHBondContact O-CG1 3.39Å; V330-I334 PolarHBondContact O-N 2.86Å; I334-Q336 PolarHBondContact O-N 3.15Å; I334-A337 PolarHBondContact O-N 3.49Å; I334-F338 HydrophobicContact CG2-CD2 3.86Å; I334-F338 HydrophobicContact CG2-CE2 3.72Å; I334-F338 VanDerWaalsContact O-CD2 3.3Å; I334-F338 WeakPolarHBondContact O-CD2 3.46Å; I334-F338 PolarHBondContact O-N 3.35Å |
| 335 | G | 93.1 | Very high | 89.5 | Confident | 40 Ų | 40 | 56.5 Ų | 56.5 | 41% | 0.412 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.1 | -43.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I331 F338 E339 | I331-G335 PolarHBondContact O-N 3.37Å; G335-F338 PolarHBondContact O-N 3.23Å; G335-E339 PolarHBondContact O-N 3.2Å |
| 336 | Q | 90.8 | Very high | 89.4 | Confident | 59 Ų | 59 | 60.1 Ų | 60.1 | 28% | 0.276 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.8 | -39.5 | 175.4 | -73.8 | 170.2 | 94.6 | 0 | 0 | 112.5 | F181 N332 T333 I334 F338 E339 L340 | F181-Q336 VanDerWaalsContact CE1-OE1 3.28Å; N332-Q336 WeakPolarHBondContact O-CG 3.49Å; N332-Q336 PolarHBondContact O-N 3.06Å; N332-Q336 PolarHBondContact O-NE2 2.92Å; T333-Q336 PolarHBondContact O-N 3.45Å; I334-Q336 PolarHBondContact O-N 3.15Å; Q336-F338 VanDerWaalsContact C-N 3.31Å; Q336-F338 PolarHBondContact O-N 3.44Å; Q336-E339 PolarHBondContact O-N 2.86Å; Q336-L340 WeakPolarHBondContact O-CB 3.35Å; Q336-L340 WeakPolarHBondContact O-CG 3.39Å; Q336-L340 PolarHBondContact O-N 3.44Å |
| 337 | A | 92.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.4 | -42.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L185 I266 M287 T333 I334 R341 | L185-A337 HydrophobicContact CD2-CB 3.81Å; I266-A337 HydrophobicContact CG2-CB 4.03Å; M287-A337 HydrophobicContact SD-CB 4.44Å; T333-A337 WeakPolarHBondContact O-CB 3.39Å; T333-A337 PolarHBondContact O-N 3.42Å; I334-A337 PolarHBondContact O-N 3.49Å; A337-R341 PolarHBondContact O-N 2.91Å |
| 338 | F | 90.8 | Very high | 87.1 | Confident | 67 Ų | 67 | 68.6 Ų | 68.6 | 29% | 0.294 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.4 | -48.6 | 172.2 | -85.9 | -67.4 | 0 | 0 | 0 | 112.8 | M287 I290 I334 G335 Q336 L340 R341 F342 | M287-F338 HydrophobicContact SD-CD1 4.47Å; M287-F338 HydrophobicContact SD-CE1 4.43Å; I290-F338 HydrophobicContact CB-CE1 4.43Å; I290-F338 HydrophobicContact CB-CZ 3.72Å; I290-F338 HydrophobicContact CG2-CE2 4.18Å; I290-F338 HydrophobicContact CG2-CZ 3.65Å; I334-F338 HydrophobicContact CG2-CD2 3.86Å; I334-F338 HydrophobicContact CG2-CE2 3.72Å; I334-F338 VanDerWaalsContact O-CD2 3.3Å; I334-F338 WeakPolarHBondContact O-CD2 3.46Å; I334-F338 PolarHBondContact O-N 3.35Å; G335-F338 PolarHBondContact O-N 3.23Å; Q336-F338 VanDerWaalsContact C-N 3.31Å; Q336-F338 PolarHBondContact O-N 3.44Å; F338-L340 VanDerWaalsContact C-N 3.32Å; F338-L340 PolarHBondContact O-N 2.93Å; F338-R341 PolarHBondContact O-N 3.35Å; F338-F342 WeakPolarHBondContact O-CB 3.35Å; F338-F342 PolarHBondContact O-N 3.01Å |
| 339 | E | 90 | Very high | 85.2 | Confident | 101 Ų | 101 | 67.9 Ų | 67.9 | 47% | 0.472 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65 | -37.5 | -177.9 | -154.5 | -156.6 | 167.5 | 0 | 0 | 111.7 | G335 Q336 F342 K343 | G335-E339 PolarHBondContact O-N 3.2Å; Q336-E339 PolarHBondContact O-N 2.86Å; E339-F342 PolarHBondContact O-N 3.25Å; E339-K343 VanDerWaalsContact CD-CE 3.49Å; E339-K343 WeakPolarHBondContact O-CB 3.23Å; E339-K343 WeakPolarHBondContact O-CD 3.2Å; E339-K343 VanDerWaalsContact O-CG 3.23Å; E339-K343 WeakPolarHBondContact O-CG 3.44Å; E339-K343 PolarHBondContact O-N 2.93Å; E339-K343 WeakPolarHBondContact OE1-CE 3.44Å; E339-K343 IonicContact OE1-NZ 3.95Å; E339-K343 PolarHBondContact OE1-NZ 3.01Å; E339-K343 IonicContact OE2-NZ 3.04Å; E339-K343 PolarHBondContact OE2-NZ 3.42Å |
| 340 | L | 88.9 | Confident | 82.7 | Confident | 29 Ų | 29 | 69.2 Ų | 69.2 | 15% | 0.152 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.4 | -45.9 | 174.8 | -69.2 | 167.6 | 0 | 0 | 0 | 111.8 | L182 L185 T268 Q336 F338 F342 K343 Q344 | L182-L340 HydrophobicContact CD2-CD1 3.57Å; L182-L340 HydrophobicContact CD2-CD2 3.72Å; L182-L340 HydrophobicContact CD2-CG 4.2Å; L185-L340 HydrophobicContact CB-CD1 4.23Å; L185-L340 HydrophobicContact CD1-CD1 4.05Å; T268-L340 HydrophobicContact CG2-CB 3.76Å; T268-L340 HydrophobicContact CG2-CD1 4.3Å; Q336-L340 WeakPolarHBondContact O-CB 3.35Å; Q336-L340 WeakPolarHBondContact O-CG 3.39Å; Q336-L340 PolarHBondContact O-N 3.44Å; F338-L340 VanDerWaalsContact C-N 3.32Å; F338-L340 PolarHBondContact O-N 2.93Å; L340-F342 VanDerWaalsContact C-N 3.3Å; L340-F342 PolarHBondContact O-N 3.09Å; L340-K343 PolarHBondContact O-N 3.49Å; L340-Q344 WeakPolarHBondContact O-CB 3.34Å; L340-Q344 PolarHBondContact O-N 2.82Å |
| 341 | R | 86.9 | Confident | 80.5 | Confident | 31 Ų | 31 | 75.1 Ų | 75.1 | 12% | 0.117 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.3 | -39.4 | 175.3 | -165.7 | -173.4 | -176.4 | 136 | 2.6 | 111.3 | T268 C269 H286 A337 F338 Q344 Y345 D352 | T268-R341 WeakPolarHBondContact O-CD 3.32Å; C269-R341 PolarHBondContact O-NH1 3.36Å; H286-R341 PolarHBondContact CD2-NH1 3.44Å; H286-R341 PolarHBondContact CE1-NH2 3.08Å; H286-R341 PolarHBondContact NE2-NH1 2.89Å; H286-R341 PolarHBondContact NE2-NH2 3.24Å; A337-R341 PolarHBondContact O-N 2.91Å; F338-R341 PolarHBondContact O-N 3.35Å; R341-Q344 PolarHBondContact O-N 3.15Å; R341-Y345 WeakPolarHBondContact O-CB 3.49Å; R341-Y345 PolarHBondContact O-N 3.2Å; R341-D352 IonicContact NH2-OD1 3.62Å; R341-D352 PolarHBondContact NH2-OD1 3.03Å; R341-D352 IonicContact NH2-OD2 3.02Å |
| 342 | F | 84.4 | Confident | 77.9 | Confident | 127 Ų | 127 | 77.6 Ų | 77.6 | 56% | 0.557 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -62.4 | -44.9 | 174.7 | -178.3 | -109.3 | 0 | 0 | 0 | 111.9 | F338 E339 L340 Q344 Y345 L346 | F338-F342 WeakPolarHBondContact O-CB 3.35Å; F338-F342 PolarHBondContact O-N 3.01Å; E339-F342 PolarHBondContact O-N 3.25Å; L340-F342 VanDerWaalsContact C-N 3.3Å; L340-F342 PolarHBondContact O-N 3.09Å; F342-Q344 VanDerWaalsContact C-N 3.28Å; F342-Q344 PolarHBondContact O-N 3.14Å; F342-Y345 PolarHBondContact O-N 3.29Å; F342-L346 HydrophobicContact CD1-CD1 4.03Å; F342-L346 HydrophobicContact CE1-CD1 3.55Å; F342-L346 HydrophobicContact CE1-CG 4.37Å; F342-L346 HydrophobicContact CE2-CD1 4.47Å; F342-L346 HydrophobicContact CE2-CG 4.49Å; F342-L346 HydrophobicContact CZ-CD1 3.8Å; F342-L346 HydrophobicContact CZ-CD2 4.49Å; F342-L346 HydrophobicContact CZ-CG 4.26Å; F342-L346 WeakPolarHBondContact O-CG 3.49Å; F342-L346 PolarHBondContact O-N 2.96Å |
| 343 | K | 85.8 | Confident | 75.3 | Confident | 91 Ų | 91 | 79.9 Ų | 79.9 | 40% | 0.396 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.9 | -32.5 | 172.8 | -72.9 | 164 | -176.6 | 167.3 | 0 | 112.8 | E339 L340 K347 | E339-K343 VanDerWaalsContact CD-CE 3.49Å; E339-K343 WeakPolarHBondContact O-CB 3.23Å; E339-K343 WeakPolarHBondContact O-CD 3.2Å; E339-K343 VanDerWaalsContact O-CG 3.23Å; E339-K343 WeakPolarHBondContact O-CG 3.44Å; E339-K343 PolarHBondContact O-N 2.93Å; E339-K343 WeakPolarHBondContact OE1-CE 3.44Å; E339-K343 IonicContact OE1-NZ 3.95Å; E339-K343 PolarHBondContact OE1-NZ 3.01Å; E339-K343 IonicContact OE2-NZ 3.04Å; E339-K343 PolarHBondContact OE2-NZ 3.42Å; L340-K343 PolarHBondContact O-N 3.49Å; K343-K347 VanDerWaalsContact O-CG 3.31Å; K343-K347 WeakPolarHBondContact O-CG 3.39Å; K343-K347 PolarHBondContact O-N 2.91Å |
| 344 | Q | 81.6 | Confident | 72.4 | Confident | 92 Ų | 92 | 84.8 Ų | 84.8 | 43% | 0.43 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -73.6 | -44.2 | 176.6 | -173.8 | 172.1 | -7.7 | 0 | 0 | 111.7 | L340 R341 F342 L346 K347 N348 | L340-Q344 WeakPolarHBondContact O-CB 3.34Å; L340-Q344 PolarHBondContact O-N 2.82Å; R341-Q344 PolarHBondContact O-N 3.15Å; F342-Q344 VanDerWaalsContact C-N 3.28Å; F342-Q344 PolarHBondContact O-N 3.14Å; Q344-L346 VanDerWaalsContact C-N 3.31Å; Q344-L346 PolarHBondContact O-N 3.07Å; Q344-K347 PolarHBondContact O-N 2.78Å; Q344-N348 PolarHBondContact O-N 3.01Å |
| 345 | Y | 79.3 | Confident | 69.7 | Low | 135 Ų | 135 | 90.5 Ų | 90.5 | 53% | 0.529 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.1 | -39.7 | 174.2 | -177.5 | -91.2 | 0 | 0 | 0 | 112.2 | R341 F342 K347 | R341-Y345 WeakPolarHBondContact O-CB 3.49Å; R341-Y345 PolarHBondContact O-N 3.2Å; F342-Y345 PolarHBondContact O-N 3.29Å; Y345-K347 VanDerWaalsContact C-N 3.28Å; Y345-K347 PolarHBondContact O-N 3.41Å |
| 346 | L | 81.3 | Confident | 67.4 | Low | 116 Ų | 116 | 97.1 Ų | 97.1 | 61% | 0.607 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -19.9 | 173.8 | -71.5 | 177.6 | 0 | 0 | 0 | 114.3 | F342 Q344 | F342-L346 HydrophobicContact CD1-CD1 4.03Å; F342-L346 HydrophobicContact CE1-CD1 3.55Å; F342-L346 HydrophobicContact CE1-CG 4.37Å; F342-L346 HydrophobicContact CE2-CD1 4.47Å; F342-L346 HydrophobicContact CE2-CG 4.49Å; F342-L346 HydrophobicContact CZ-CD1 3.8Å; F342-L346 HydrophobicContact CZ-CD2 4.49Å; F342-L346 HydrophobicContact CZ-CG 4.26Å; F342-L346 WeakPolarHBondContact O-CG 3.49Å; F342-L346 PolarHBondContact O-N 2.96Å; Q344-L346 VanDerWaalsContact C-N 3.31Å; Q344-L346 PolarHBondContact O-N 3.07Å |
| 347 | K | 75.1 | Confident | 64.6 | Low | 168 Ų | 168 | 100.2 Ų | 100.2 | 73% | 0.73 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -43.3 | 179.7 | -77.7 | 178.3 | 175.7 | -170.4 | 0 | 112.8 | K343 Q344 Y345 | K343-K347 VanDerWaalsContact O-CG 3.31Å; K343-K347 WeakPolarHBondContact O-CG 3.39Å; K343-K347 PolarHBondContact O-N 2.91Å; Q344-K347 PolarHBondContact O-N 2.78Å; Y345-K347 VanDerWaalsContact C-N 3.28Å; Y345-K347 PolarHBondContact O-N 3.41Å |
| 348 | N | 57.4 | Low | 62 | Low | 91 Ų | 91 | 109.5 Ų | 109.5 | 49% | 0.487 | 58% | 0.577 | S | S | . | * | trans | -134.4 | 85.5 | -176.3 | -73.5 | -27.2 | 0 | 0 | 0 | 110.1 | Q344 S350 L351 | Q344-N348 PolarHBondContact O-N 3.01Å; N348-S350 PolarHBondContact O-N 3.36Å; N348-L351 HydrophobicContact CB-CD1 4.32Å | ||
| 349 | P | 50.7 | Low | 59.4 | Low | 99 Ų | 99 | 113.3 Ų | 113.3 | 64% | 0.643 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -3.5 | 178.6 | 30.3 | -36.2 | 0 | 0 | 0 | 113.9 | ||
| 350 | S | 40 | Very low | 56.5 | Low | 100 Ų | 100 | 114.6 Ų | 114.6 | 70% | 0.699 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | 3.7 | -169.5 | 49.3 | 0 | 0 | 0 | 0 | 115.7 | N348 | N348-S350 PolarHBondContact O-N 3.36Š|
| 351 | L | 46.9 | Very low | 54 | Low | 125 Ų | 125 | 123.1 Ų | 123.1 | 65% | 0.654 | 64% | 0.641 | S | S | * | * | trans | -116 | 14.8 | -173.5 | -67.6 | 177 | 0 | 0 | 0 | 115.3 | N348 T353 | N348-L351 HydrophobicContact CB-CD1 4.32Å; L351-T353 PolarHBondContact O-N 2.85Å | ||
| 352 | D | 39.8 | Very low | 51.4 | Low | 82 Ų | 82 | 128.9 Ų | 128.9 | 44% | 0.439 | 67% | 0.672 | S | S | . | * | trans | -79 | 54.3 | 172.9 | -107.9 | -18.7 | 0 | 0 | 0 | 111 | Q288 R341 | Q288-D352 PolarHBondContact NE2-OD2 3.41Å; R341-D352 IonicContact NH2-OD1 3.62Å; R341-D352 PolarHBondContact NH2-OD1 3.03Å; R341-D352 IonicContact NH2-OD2 3.02Å | ||
| 353 | T | 38.2 | Very low | 49 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 75% | 0.748 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -152 | 137.4 | 165.6 | -62.3 | 0 | 0 | 0 | 0 | 109.9 | L351 | L351-T353 PolarHBondContact O-N 2.85Š|
| 354 | S | 32.7 | Very low | 46.2 | Very low | 104 Ų | 104 | 130.3 Ų | 130.3 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | trans | 54.6 | 92.8 | -178.5 | 55.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 355 | C | 38.5 | Very low | 43.8 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 82% | 0.824 | 72% | 0.717 | S | S | * | * | trans | -104.9 | 57.9 | 149.3 | -75.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 356 | E | 44.6 | Very low | 41.7 | Very low | 178 Ų | 178 | 132.2 Ų | 132.2 | 83% | 0.832 | 73% | 0.726 | S | S | * | * | trans | -131.9 | 105.7 | 163.7 | -80.7 | -169.7 | 104 | 0 | 0 | 109.1 | ||||
| 357 | S | 30.6 | Very low | 39.5 | Very low | 125 Ų | 125 | 135 Ų | 135 | 87% | 0.874 | 74% | 0.736 | S | S | * | * | trans | -165.9 | 109.1 | 162.4 | -77.3 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 358 | E | 39.5 | Very low | 37.5 | Very low | 194 Ų | 194 | 135.1 Ų | 135.1 | 91% | 0.907 | 74% | 0.739 | S | S | * | * | trans | -74.3 | 167.6 | 178.2 | -65.7 | -165.6 | 108.2 | 0 | 0 | 111.9 | V360 | E358-V360 PolarHBondContact O-N 3.38Å; E358-V360 VanDerWaalsContact O-N 3.12Å | ||
| 359 | E | 35.7 | Very low | 36.4 | Very low | 147 Ų | 147 | 135.8 Ų | 135.8 | 69% | 0.687 | 75% | 0.751 | S | S | * | * | trans | -61.9 | 112.3 | 178 | -69.2 | -171.7 | -159.3 | 0 | 0 | 112.1 | R361 | E359-R361 IonicContact OE2-CZ 2.74Å; E359-R361 IonicContact OE2-NE 3.28Å; E359-R361 PolarHBondContact OE2-NE 2.89Å; E359-R361 VanDerWaalsContact OE2-NE 3.07Å; E359-R361 IonicContact OE2-NH2 3.55Å; E359-R361 PolarHBondContact OE2-NH2 3.35Å | ||
| 360 | V | 29.1 | Very low | 35.7 | Very low | 128 Ų | 128 | 139.8 Ų | 139.8 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | trans | -115.1 | 107.6 | 154.3 | -179.2 | 0 | 0 | 0 | 0 | 108.2 | E358 | E358-V360 PolarHBondContact O-N 3.38Å; E358-V360 VanDerWaalsContact O-N 3.12Å | ||
| 361 | R | 35.6 | Very low | 35.7 | Very low | 209 Ų | 209 | 142.8 Ų | 142.8 | 79% | 0.789 | 77% | 0.769 | S | S | * | * | trans | -79.9 | 120.1 | 176.9 | -59 | 176.4 | -167.5 | 168.8 | 3.7 | 109.3 | E359 | E359-R361 IonicContact OE2-CZ 2.74Å; E359-R361 IonicContact OE2-NE 3.28Å; E359-R361 PolarHBondContact OE2-NE 2.89Å; E359-R361 VanDerWaalsContact OE2-NE 3.07Å; E359-R361 IonicContact OE2-NH2 3.55Å; E359-R361 PolarHBondContact OE2-NH2 3.35Å | ||
| 362 | I | 32.2 | Very low | 35.9 | Very low | 152 Ų | 152 | 145.5 Ų | 145.5 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | -122.5 | 123.7 | 156.7 | -63.2 | -177.4 | 0 | 0 | 0 | 106.7 | ||||
| 363 | D | 33.6 | Very low | 36.1 | Very low | 146 Ų | 146 | 149.6 Ų | 149.6 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | trans | -87.1 | 125.7 | 178 | 178.5 | 22.7 | 0 | 0 | 0 | 109.5 | ||||
| 364 | S | 28.7 | Very low | 36.5 | Very low | 101 Ų | 101 | 152.8 Ų | 152.8 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | -168.1 | 103.8 | 167.4 | -80 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 365 | H | 30.9 | Very low | 37.5 | Very low | 180 Ų | 180 | 156.6 Ų | 156.6 | 83% | 0.833 | 79% | 0.794 | S | S | * | * | trans | 27 | 136 | 146.5 | -69.9 | -89 | 0 | 0 | 0 | 121.4 | ||||
| 366 | A | 35.6 | Very low | 38.3 | Very low | 87 Ų | 87 | 156.5 Ų | 156.5 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | trans | -67.7 | 156.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 367 | E | 34.8 | Very low | 38.7 | Very low | 176 Ų | 176 | 155.4 Ų | 155.4 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | -152.3 | 174.9 | 129.9 | -93 | -42.8 | 143.7 | 0 | 0 | 109.8 | |||||
| 368 | E | 33.2 | Very low | 39.5 | Very low | 169 Ų | 169 | 155.4 Ų | 155.4 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | -80.8 | 161.8 | -165.3 | -57.4 | -175.6 | 126.4 | 0 | 0 | 116.6 | ||||
| 369 | S | 33.8 | Very low | 39.8 | Very low | 105 Ų | 105 | 152.5 Ų | 152.5 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | 24 | 126 | 151.1 | 61.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 370 | E | 36.8 | Very low | 40.7 | Very low | 184 Ų | 184 | 149.5 Ų | 149.5 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | -156.8 | 137.6 | 133.7 | -118.4 | 168.4 | -164.4 | 0 | 0 | 111 | ||||
| 371 | D | 39.2 | Very low | 41.6 | Very low | 162 Ų | 162 | 151.2 Ų | 151.2 | 87% | 0.866 | 77% | 0.773 | S | S | * | * | trans | -71 | 133.4 | 179.6 | -101.1 | -50.2 | 0 | 0 | 0 | 111.1 | E373 | D371-E373 VanDerWaalsContact C-N 3.33Å; D371-E373 PolarHBondContact O-N 2.8Å | ||
| 372 | H | 50 | Low | 42.2 | Very low | 183 Ų | 183 | 149.8 Ų | 149.8 | 85% | 0.847 | 78% | 0.775 | S | S | * | * | trans | -83 | 80.1 | 176.1 | -74.9 | -2.3 | 0 | 0 | 0 | 111.1 | Y374 | H372-Y374 PolarHBondContact O-N 3.02Å; H372-Y374 VanDerWaalsContact O-N 3.08Å | ||
| 373 | E | 45 | Very low | 43 | Very low | 168 Ų | 168 | 147.4 Ų | 147.4 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | -42.8 | 108.1 | 175.5 | -164.2 | 88 | -99.5 | 0 | 0 | 112.1 | D371 | D371-E373 VanDerWaalsContact C-N 3.33Å; D371-E373 PolarHBondContact O-N 2.8Å | ||
| 374 | Y | 47.2 | Very low | 43.9 | Very low | 189 Ų | 189 | 146 Ų | 146 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | trans | -75.4 | 140.4 | -175.5 | -173.9 | -113 | 0 | 0 | 0 | 111.1 | H372 N376 | H372-Y374 PolarHBondContact O-N 3.02Å; H372-Y374 VanDerWaalsContact O-N 3.08Å; Y374-N376 HydrophobicContact CD1-CB 4.49Å; Y374-N376 VanDerWaalsContact CE1-ND2 3.25Å; Y374-N376 WeakPolarHBondContact CE1-ND2 3.31Å; Y374-N376 PolarHBondContact O-N 2.86Å | ||
| 375 | Y | 54 | Low | 44.8 | Very low | 184 Ų | 184 | 146.7 Ų | 146.7 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 60.1 | -167.8 | -166.4 | -97.5 | 0 | 0 | 0 | 114.3 | ||
| 376 | N | 53.5 | Low | 45 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 64% | 0.642 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.7 | -14 | 173.8 | -80.8 | -70 | 0 | 0 | 0 | 115.4 | Y374 I378 | Y374-N376 HydrophobicContact CD1-CB 4.49Å; Y374-N376 VanDerWaalsContact CE1-ND2 3.25Å; Y374-N376 WeakPolarHBondContact CE1-ND2 3.31Å; Y374-N376 PolarHBondContact O-N 2.86Å; N376-I378 VanDerWaalsContact C-N 3.26Å; N376-I378 PolarHBondContact O-N 2.71Å; N376-I378 VanDerWaalsContact O-N 3.14Å |
| 377 | E | 53 | Low | 45.1 | Very low | 154 Ų | 154 | 141.5 Ų | 141.5 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -80.2 | 14.8 | -173.2 | -67.8 | -60.1 | 139.3 | 0 | 0 | 115.8 | ||
| 378 | I | 48.9 | Very low | 45.4 | Very low | 126 Ų | 126 | 140.3 Ų | 140.3 | 65% | 0.646 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -124 | 100.9 | 175.9 | -54.5 | -179.1 | 0 | 0 | 0 | 111.1 | N376 G380 K381 | N376-I378 VanDerWaalsContact C-N 3.26Å; N376-I378 PolarHBondContact O-N 2.71Å; N376-I378 VanDerWaalsContact O-N 3.14Å; I378-G380 PolarHBondContact O-N 3.5Å; I378-K381 HydrophobicContact CG2-CG 4.19Å |
| 379 | P | 44.6 | Very low | 45.5 | Very low | 132 Ų | 132 | 137.5 Ų | 137.5 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | 124.2 | 173.6 | -23.5 | 34.2 | 0 | 0 | 0 | 112.2 | ||
| 380 | G | 55.1 | Low | 45.5 | Very low | 84 Ų | 84 | 139.1 Ų | 139.1 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 101.4 | 11.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | I378 | I378-G380 PolarHBondContact O-N 3.5Š|
| 381 | K | 49 | Very low | 45.3 | Very low | 165 Ų | 165 | 137.6 Ų | 137.6 | 72% | 0.717 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 132.1 | 166.4 | -75.4 | -73.7 | -176.5 | 173 | 0 | 111.2 | I378 | I378-K381 HydrophobicContact CG2-CG 4.19Š|
| 382 | Q | 48.1 | Very low | 45.1 | Very low | 178 Ų | 178 | 139.8 Ų | 139.8 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 140 | -179.8 | -160.5 | 170.2 | 18.1 | 0 | 0 | 110.1 | ||
| 383 | P | 48.3 | Very low | 44.4 | Very low | 103 Ų | 103 | 138.1 Ų | 138.1 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -69 | 157.6 | -174.1 | 26.7 | -35.7 | 0 | 0 | 0 | 113.4 | ||
| 384 | P | 53.1 | Low | 43.7 | Very low | 117 Ų | 117 | 138.7 Ų | 138.7 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 141.8 | -179.1 | -24 | 34.6 | 0 | 0 | 0 | 113.9 | G386 | P384-G386 PolarHBondContact O-N 3.26Š|
| 385 | A | 46.3 | Very low | 42.8 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 95% | 0.95 | 77% | 0.768 | S | S | * | * | trans | -77.4 | 92.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 386 | G | 36.2 | Very low | 41.4 | Very low | 78 Ų | 78 | 134.7 Ų | 134.7 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -128.4 | 68.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | P384 | P384-G386 PolarHBondContact O-N 3.26Š| ||
| 387 | G | 36.7 | Very low | 40.1 | Very low | 79 Ų | 79 | 132.8 Ų | 132.8 | 81% | 0.814 | 78% | 0.776 | S | S | * | * | trans | -90.7 | 133.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 388 | V | 41.4 | Very low | 38.9 | Very low | 152 Ų | 152 | 131.8 Ų | 131.8 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | trans | -113.6 | 140.7 | 154.6 | -70.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 389 | S | 35.6 | Very low | 38 | Very low | 109 Ų | 109 | 134 Ų | 134 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | -90.4 | 129.8 | -157.4 | 49.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 390 | D | 34 | Very low | 37.2 | Very low | 140 Ų | 140 | 137.3 Ų | 137.3 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | trans | -94.9 | 109.2 | 165.3 | -177.7 | 9.3 | 0 | 0 | 0 | 110 | ||||
| 391 | M | 32.1 | Very low | 35.9 | Very low | 151 Ų | 151 | 141.9 Ų | 141.9 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | trans | -103.6 | 81.1 | -177.4 | -72.1 | -162.6 | 81.7 | 0 | 0 | 112.6 | I393 | M391-I393 PolarHBondContact O-N 3.36Š| ||
| 392 | R | 35 | Very low | 34.8 | Very low | 208 Ų | 208 | 138.4 Ų | 138.4 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | -80 | 92.8 | 168.6 | -172.8 | -179.6 | -59.1 | 167.7 | 7.1 | 111.9 | ||||
| 393 | I | 35.6 | Very low | 33.7 | Very low | 149 Ų | 149 | 140.3 Ų | 140.3 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | trans | -83.2 | 138.8 | 162.2 | -60.6 | 179.4 | 0 | 0 | 0 | 109.2 | M391 | M391-I393 PolarHBondContact O-N 3.36Š| ||
| 394 | K | 30.8 | Very low | 32.8 | Very low | 180 Ų | 180 | 140.4 Ų | 140.4 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | trans | -118.7 | 140.7 | 179 | -164.4 | -176.6 | 177.7 | -176.7 | 0 | 106.3 | ||||
| 395 | V | 27.2 | Very low | 32.1 | Very low | 102 Ų | 102 | 140 Ų | 140 | 62% | 0.618 | 80% | 0.795 | S | S | * | * | 174.4 | 133.9 | 94.7 | 152.7 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 396 | Q | 25.9 | Very low | 31.2 | Very low | 186 Ų | 186 | 141.4 Ų | 141.4 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | trans | 61.2 | 151.1 | 158.5 | -74.9 | 163 | -3.3 | 0 | 0 | 118.8 | ||||
| 397 | A | 25.6 | Very low | 30.7 | Very low | 80 Ų | 80 | 148.8 Ų | 148.8 | 66% | 0.661 | 79% | 0.789 | S | S | * | * | cis | -164.5 | -179.1 | -7.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 398 | T | 26.8 | Very low | 30.5 | Very low | 133 Ų | 133 | 150.8 Ų | 150.8 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | trans | 87.3 | 140.8 | 157.4 | -44.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 399 | E | 31.5 | Very low | 29.8 | Very low | 173 Ų | 173 | 150.6 Ų | 150.6 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | trans | -81.8 | 145.1 | -179.6 | -50.1 | 146.4 | 122.5 | 0 | 0 | 111 | ||||
| 400 | Q | 28.2 | Very low | 29.5 | Very low | 201 Ų | 201 | 153.4 Ų | 153.4 | 94% | 0.939 | 78% | 0.777 | S | S | * | * | trans | -167.8 | 169.3 | 139.2 | -112 | 163.5 | 41.4 | 0 | 0 | 115.8 | ||||
| 401 | M | 25.9 | Very low | 29.1 | Very low | 181 Ų | 181 | 153.7 Ų | 153.7 | 89% | 0.892 | 78% | 0.777 | S | S | * | * | trans | -71.9 | 149 | -169.6 | -93 | 176.3 | 159.9 | 0 | 0 | 116.7 | ||||
| 402 | A | 27.2 | Very low | 29 | Very low | 91 Ų | 91 | 151.8 Ų | 151.8 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | trans | 81.1 | 150.2 | 131 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 403 | Y | 23.9 | Very low | 28.6 | Very low | 218 Ų | 218 | 152.8 Ų | 152.8 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | trans | 91.2 | 119.8 | 146.4 | -128 | -105.3 | 0 | 0 | 0 | 120.5 | ||||
| 404 | C | 30.6 | Very low | 28.2 | Very low | 105 Ų | 105 | 153.1 Ų | 153.1 | 71% | 0.709 | 79% | 0.786 | S | S | * | * | trans | -90.2 | 164.2 | 164 | -48.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 405 | P | 38.6 | Very low | 28.7 | Very low | 109 Ų | 109 | 150 Ų | 150 | 71% | 0.708 | 78% | 0.784 | S | S | * | * | -155.7 | 132.2 | 109.1 | 34.2 | -14.2 | 0 | 0 | 0 | 118.5 | |||||
| 406 | I | 26.9 | Very low | 28.6 | Very low | 145 Ų | 145 | 148.9 Ų | 148.9 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | 45.2 | 123.3 | 114.5 | -54.8 | 176.3 | 0 | 0 | 0 | 120.9 | |||||
| 407 | R | 26 | Very low | 28.5 | Very low | 232 Ų | 232 | 147.4 Ų | 147.4 | 88% | 0.875 | 79% | 0.791 | S | S | * | * | trans | 77.4 | 105.3 | 151.1 | -77.9 | 171.8 | -173.9 | -169.8 | 1.2 | 123.1 | ||||
| 408 | C | 31.1 | Very low | 28.7 | Very low | 121 Ų | 121 | 147.5 Ų | 147.5 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | 7.9 | 129 | 114.4 | -177.5 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 409 | E | 28.5 | Very low | 28.7 | Very low | 149 Ų | 149 | 150.9 Ų | 150.9 | 70% | 0.696 | 79% | 0.79 | S | S | * | * | -169.8 | 168.6 | 129.9 | -132.8 | -176.7 | -138.7 | 0 | 0 | 114.1 | |||||
| 410 | K | 27.5 | Very low | 28.5 | Very low | 167 Ų | 167 | 148.8 Ų | 148.8 | 73% | 0.726 | 79% | 0.793 | S | S | * | * | trans | 71.5 | 155.7 | 161.5 | -70.7 | 177.8 | -179.8 | 80.7 | 0 | 117.7 | ||||
| 411 | L | 27.3 | Very low | 28.2 | Very low | 146 Ų | 146 | 144.4 Ų | 144.4 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | cis | -148.5 | 164.9 | 7.2 | -130.9 | 160.5 | 0 | 0 | 0 | 111 | ||||
| 412 | C | 28.3 | Very low | 28.4 | Very low | 111 Ų | 111 | 141.5 Ų | 141.5 | 75% | 0.75 | 78% | 0.782 | S | S | * | * | trans | -106.6 | 148.5 | 177.3 | -50.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 413 | Y | 26.3 | Very low | 28.4 | Very low | 230 Ų | 230 | 143 Ų | 143 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | trans | -156.9 | 162.9 | 152.8 | -105 | -75.6 | 0 | 0 | 0 | 111.9 | ||||
| 414 | L | 28.4 | Very low | 28.4 | Very low | 156 Ų | 156 | 141.2 Ų | 141.2 | 82% | 0.817 | 78% | 0.775 | S | S | * | * | trans | -139.9 | -178.9 | -171.7 | -91.7 | 169.5 | 0 | 0 | 0 | 108.4 | ||||
| 415 | P | 41.5 | Very low | 28.3 | Very low | 115 Ų | 115 | 142.1 Ų | 142.1 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | cis | -137 | 164.9 | -14.3 | 29.5 | -8.1 | 0 | 0 | 0 | 116.8 | ||||
| 416 | G | 24.1 | Very low | 27.9 | Very low | 78 Ų | 78 | 141.7 Ų | 141.7 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | 74.8 | 135.4 | 126.9 | 0 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 417 | N | 24 | Very low | 27.9 | Very low | 155 Ų | 155 | 139.9 Ų | 139.9 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | -169.8 | 145.2 | 100.6 | -161.2 | 11.7 | 0 | 0 | 0 | 114.4 | |||||
| 418 | S | 30.3 | Very low | 28.1 | Very low | 82 Ų | 82 | 135 Ų | 135 | 57% | 0.573 | 75% | 0.75 | S | S | * | * | trans | 26 | 123.2 | 157.4 | 68 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 419 | K | 27.6 | Very low | 27.9 | Very low | 204 Ų | 204 | 136.3 Ų | 136.3 | 89% | 0.887 | 74% | 0.744 | S | S | * | * | -170.4 | 155.3 | 91.9 | -98.2 | 173.6 | -175.8 | 177.7 | 0 | 112.5 | |||||
| 420 | C | 25.7 | Very low | 27.7 | Very low | 129 Ų | 129 | 136.9 Ų | 136.9 | 87% | 0.872 | 75% | 0.747 | S | S | * | * | trans | -77.1 | 166.4 | 178.9 | -43.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 421 | S | 22.3 | Very low | 27.5 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | -151.6 | 145.7 | 61.6 | -163.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 422 | S | 30.3 | Very low | 27.6 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | trans | -133.3 | 128 | 163.3 | 176.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 423 | V | 26.6 | Very low | 27.5 | Very low | 124 Ų | 124 | 136.4 Ų | 136.4 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | trans | -157.9 | 126.9 | -179.8 | 177.9 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 424 | Y | 24.5 | Very low | 27.5 | Very low | 180 Ų | 180 | 134 Ų | 134 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | cis | -153 | 141.4 | -11.8 | -156.6 | -118.6 | 0 | 0 | 0 | 104.3 | ||||
| 425 | E | 29.6 | Very low | 27.3 | Very low | 123 Ų | 123 | 129.7 Ų | 129.7 | 58% | 0.575 | 74% | 0.74 | S | S | * | * | 44.5 | 144.7 | 88.6 | -106.4 | -157.7 | -122 | 0 | 0 | 114.8 | |||||
| 426 | N | 28.4 | Very low | 26.5 | Very low | 101 Ų | 101 | 132 Ų | 132 | 54% | 0.54 | 75% | 0.746 | S | S | . | * | cis | -158.2 | 173.7 | -2 | -145.1 | -19.4 | 0 | 0 | 0 | 107.6 | ||||
| 427 | C | 27.8 | Very low | 26.5 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 72% | 0.723 | 75% | 0.747 | S | S | * | * | -171.4 | 138.2 | 70.3 | -98.1 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 428 | L | 30.6 | Very low | 26.4 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 68% | 0.675 | 75% | 0.747 | S | S | * | * | 70.7 | 137.7 | 84.2 | -107.8 | 71.2 | 0 | 0 | 0 | 113.3 | |||||
| 429 | E | 26.3 | Very low | 27 | Very low | 148 Ų | 148 | 136 Ų | 136 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | cis | -143.7 | -172.3 | 19.9 | -55.6 | -166.6 | 87.3 | 0 | 0 | 111.8 | ||||
| 430 | Q | 24.2 | Very low | 26.8 | Very low | 161 Ų | 161 | 137.2 Ų | 137.2 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | cis | -151.9 | 172.8 | 0.4 | -144.8 | 167.3 | 59.5 | 0 | 0 | 109.8 | ||||
| 431 | S | 24.3 | Very low | 26.6 | Very low | 97 Ų | 97 | 134.1 Ų | 134.1 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | trans | -128.9 | 155.1 | -175.3 | 64.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 432 | R | 29.2 | Very low | 26.8 | Very low | 244 Ų | 244 | 134.7 Ų | 134.7 | 92% | 0.921 | 73% | 0.733 | S | S | * | * | trans | 157.4 | 155.4 | 152.9 | -88.2 | 154.2 | -167 | -163.5 | 3.5 | 110 | ||||
| 433 | A | 25.8 | Very low | 26.5 | Very low | 74 Ų | 74 | 137.6 Ų | 137.6 | 61% | 0.612 | 73% | 0.733 | S | S | * | * | cis | -161.8 | 160.4 | 2.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 434 | I | 26 | Very low | 26.4 | Very low | 178 Ų | 178 | 137 Ų | 137 | 91% | 0.913 | 74% | 0.735 | S | S | * | * | trans | 63.8 | 136.7 | 149.3 | -61 | 161.6 | 0 | 0 | 0 | 117.2 | ||||
| 435 | G | 24.4 | Very low | 26.5 | Very low | 67 Ų | 67 | 137.9 Ų | 137.9 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | cis | -172.5 | -167.9 | 3.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 436 | N | 23.8 | Very low | 26.2 | Very low | 164 Ų | 164 | 142.2 Ų | 142.2 | 88% | 0.877 | 76% | 0.756 | S | S | * | * | trans | -65.2 | 152.6 | -169.4 | -68.7 | -50 | 0 | 0 | 0 | 116.1 | ||||
| 437 | V | 24.2 | Very low | 26 | Very low | 136 Ų | 136 | 145.2 Ų | 145.2 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | -177.2 | 155.7 | 106.9 | 149.9 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 438 | H | 23 | Very low | 25.8 | Very low | 178 Ų | 178 | 146 Ų | 146 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | trans | -140.8 | 172.8 | 179.8 | -116.9 | 51.6 | 0 | 0 | 0 | 107.2 | ||||
| 439 | P | 42.6 | Very low | 25.5 | Very low | 83 Ų | 83 | 145.8 Ų | 145.8 | 54% | 0.539 | 78% | 0.783 | S | S | . | * | cis | -138.5 | -169.4 | -16.3 | 39.7 | -21.5 | 0 | 0 | 0 | 113.7 | ||||
| 440 | R | 23.8 | Very low | 25.6 | Very low | 230 Ų | 230 | 146.9 Ų | 146.9 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | trans | 71.3 | 139.3 | 144.9 | -157 | -171.3 | -48.8 | -105.7 | 2.7 | 117.5 | ||||
| 441 | G | 21.9 | Very low | 25.7 | Very low | 64 Ų | 64 | 147.1 Ų | 147.1 | 66% | 0.66 | 80% | 0.798 | S | S | * | * | cis | 159.3 | -172.3 | -6.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 442 | V | 24.9 | Very low | 25.7 | Very low | 122 Ų | 122 | 151.4 Ų | 151.4 | 74% | 0.739 | 81% | 0.805 | S | S | * | * | trans | 86.5 | 116.2 | 161.1 | -175.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 443 | Q | 24.4 | Very low | 25.4 | Very low | 179 Ų | 179 | 148.9 Ų | 148.9 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | 44.8 | 130.3 | 147 | -68.3 | 164.4 | -22.9 | 0 | 0 | 120.9 | ||||
| 444 | S | 24.1 | Very low | 25.3 | Very low | 112 Ų | 112 | 151.5 Ų | 151.5 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | cis | 96.9 | 105.5 | 39.8 | 171.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 445 | Q | 26.3 | Very low | 25.2 | Very low | 199 Ų | 199 | 148.7 Ų | 148.7 | 93% | 0.93 | 81% | 0.807 | S | S | * | * | trans | -144.9 | 169.6 | 137.2 | -129.5 | 174.4 | 8.3 | 0 | 0 | 111.1 | ||||
| 446 | R | 24.8 | Very low | 25.3 | Very low | 214 Ų | 214 | 155.4 Ų | 155.4 | 81% | 0.808 | 81% | 0.811 | S | S | * | * | trans | -137.4 | 132.6 | -166.1 | 172.1 | -149.9 | -61.4 | 163.7 | -0.4 | 107.3 | ||||
| 447 | D | 22.6 | Very low | 25.5 | Very low | 164 Ų | 164 | 153 Ų | 153 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | trans | -145 | 158.4 | 158.5 | -117.4 | -40 | 0 | 0 | 0 | 112.1 | ||||
| 448 | T | 24.1 | Very low | 25.5 | Very low | 122 Ų | 122 | 152.5 Ų | 152.5 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -133.2 | 130.7 | -165.9 | 52.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 449 | S | 25.7 | Very low | 26 | Very low | 126 Ų | 126 | 150.9 Ų | 150.9 | 88% | 0.881 | 79% | 0.792 | S | S | * | * | trans | -134.7 | 120 | 162.7 | 54 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 450 | L | 26.4 | Very low | 25.2 | Very low | 171 Ų | 171 | 157 Ų | 157 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | trans | -80.6 | 130.7 | 170.5 | -90.6 | 156.4 | 0 | 0 | 0 | 109.4 | ||||
| 451 | L | 27 | Very low | 25.5 | Very low | 165 Ų | 165 | 153.5 Ų | 153.5 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | -140.9 | 147.4 | 150.4 | -143 | 70 | 0 | 0 | 0 | 111 | ||||
| 452 | K | 24.1 | Very low | 25.9 | Very low | 188 Ų | 188 | 158 Ų | 158 | 82% | 0.817 | 82% | 0.818 | S | S | * | * | trans | -89.6 | 141.8 | -170.1 | -56.1 | 168.9 | -176.2 | 173 | 0 | 109.9 | ||||
| 453 | H | 23.7 | Very low | 26.6 | Very low | 190 Ų | 190 | 157.2 Ų | 157.2 | 88% | 0.88 | 82% | 0.815 | S | S | * | * | trans | -120.7 | 115.1 | 156.9 | -88.9 | -83.6 | 0 | 0 | 0 | 110.4 | ||||
| 454 | T | 23.2 | Very low | 26.8 | Very low | 129 Ų | 129 | 153.6 Ų | 153.6 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | trans | -84.4 | 159.7 | 172.6 | -34.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 455 | C | 24.7 | Very low | 27 | Very low | 120 Ų | 120 | 156.6 Ų | 156.6 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | -51.4 | 142.8 | -173 | -48 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 456 | R | 24.8 | Very low | 26.9 | Very low | 208 Ų | 208 | 154.1 Ų | 154.1 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | -147.1 | 146.7 | 116.8 | -126 | -179.7 | -175.7 | -132.8 | 6.4 | 111.7 | D458 | R456-D458 IonicContact CZ-OD2 3.3Å; R456-D458 IonicContact NH1-OD1 3.1Å; R456-D458 IonicContact NH1-OD2 3.24Å; R456-D458 PolarHBondContact NH1-OD2 3.08Å | |||
| 457 | V | 28.7 | Very low | 27.1 | Very low | 113 Ų | 113 | 148.6 Ų | 148.6 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | trans | -117.6 | 120.1 | 169.3 | 174.5 | 0 | 0 | 0 | 0 | 105.8 | L459 | V457-L459 HydrophobicContact CG1-CB 3.96Å; V457-L459 HydrophobicContact CG1-CD1 4.05Å; V457-L459 HydrophobicContact CG1-CG 4.25Å | ||
| 458 | D | 25.4 | Very low | 27.6 | Very low | 125 Ų | 125 | 146.8 Ų | 146.8 | 67% | 0.668 | 78% | 0.777 | S | S | * | * | trans | -129.1 | 88.4 | 168.9 | -79.6 | -59.7 | 0 | 0 | 0 | 106 | R456 | R456-D458 IonicContact CZ-OD2 3.3Å; R456-D458 IonicContact NH1-OD1 3.1Å; R456-D458 IonicContact NH1-OD2 3.24Å; R456-D458 PolarHBondContact NH1-OD2 3.08Å | ||
| 459 | L | 33.1 | Very low | 27.9 | Very low | 145 Ų | 145 | 148.9 Ų | 148.9 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | trans | -117.5 | 63.3 | -172.4 | -104.9 | 174.5 | 0 | 0 | 0 | 110.2 | V457 | V457-L459 HydrophobicContact CG1-CB 3.96Å; V457-L459 HydrophobicContact CG1-CD1 4.05Å; V457-L459 HydrophobicContact CG1-CG 4.25Å | ||
| 460 | F | 25.8 | Very low | 28 | Very low | 210 Ų | 210 | 147.1 Ų | 147.1 | 92% | 0.921 | 77% | 0.771 | S | S | * | * | trans | -145.8 | 94.7 | 177.2 | -76.1 | -69.2 | 0 | 0 | 0 | 112.6 | ||||
| 461 | D | 29.5 | Very low | 28 | Very low | 157 Ų | 157 | 147.3 Ų | 147.3 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | trans | -154.2 | 105.3 | 145 | -150.7 | -15 | 0 | 0 | 0 | 109.5 | ||||
| 462 | D | 29.8 | Very low | 27.9 | Very low | 160 Ų | 160 | 148.4 Ų | 148.4 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | trans | -162.6 | 120.8 | 158.8 | -141.8 | -11.8 | 0 | 0 | 0 | 110.2 | ||||
| 463 | P | 40.2 | Very low | 27.9 | Very low | 105 Ų | 105 | 145.1 Ų | 145.1 | 68% | 0.682 | 77% | 0.773 | S | S | * | * | trans | -105.8 | 108.5 | -172.2 | 36 | -31.4 | 0 | 0 | 0 | 115.1 | ||||
| 464 | C | 28.8 | Very low | 28 | Very low | 102 Ų | 102 | 142.4 Ų | 142.4 | 69% | 0.689 | 77% | 0.771 | S | S | * | * | trans | -161.8 | 152.5 | 155.6 | -99 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 465 | Y | 27.5 | Very low | 28 | Very low | 175 Ų | 175 | 144.5 Ų | 144.5 | 69% | 0.686 | 78% | 0.776 | S | S | * | * | cis | -135.2 | 149.3 | 7.7 | -157.7 | -113.3 | 0 | 0 | 0 | 106.9 | ||||
| 466 | I | 25.8 | Very low | 28 | Very low | 148 Ų | 148 | 142.5 Ų | 142.5 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | -153.6 | 133.8 | 88 | -79 | 152.3 | 0 | 0 | 0 | 108.9 | |||||
| 467 | N | 27.8 | Very low | 28 | Very low | 97 Ų | 97 | 138.6 Ų | 138.6 | 52% | 0.519 | 78% | 0.78 | S | S | . | * | trans | -137.7 | 115.8 | 161.8 | -173.5 | -6.2 | 0 | 0 | 0 | 110 | Q469 | N467-Q469 WeakPolarHBondContact OD1-CG 3.26Š| ||
| 468 | T | 32.8 | Very low | 27.7 | Very low | 127 Ų | 127 | 138.2 Ų | 138.2 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | trans | -106.7 | 100 | 169.9 | -54.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 469 | Q | 32 | Very low | 27.7 | Very low | 165 Ų | 165 | 135.3 Ų | 135.3 | 77% | 0.771 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -74 | 136.5 | 175.6 | -64.1 | -169.5 | 18.6 | 0 | 0 | 110.4 | N467 | N467-Q469 WeakPolarHBondContact OD1-CG 3.26Š|
| 470 | A | 27.4 | Very low | 27.3 | Very low | 89 Ų | 89 | 135.7 Ų | 135.7 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 142.2 | -167.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 471 | L | 26.5 | Very low | 27.4 | Very low | 175 Ų | 175 | 133.5 Ų | 133.5 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 130.3 | 150 | -80 | 170.5 | 0 | 0 | 0 | 108.8 | ||
| 472 | Q | 24.7 | Very low | 27.1 | Very low | 188 Ų | 188 | 130.3 Ų | 130.3 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 120.4 | 176.2 | -64.4 | 178.2 | 0.1 | 0 | 0 | 110 | ||
| 473 | S | 24.6 | Very low | 26.9 | Very low | 119 Ų | 119 | 128.3 Ų | 128.3 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | -120.4 | 111.8 | 162 | 54.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 474 | T | 24.1 | Very low | 26.2 | Very low | 134 Ų | 134 | 127.9 Ų | 127.9 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | -75.9 | 129 | -179.2 | 49.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 475 | L | 24.4 | Very low | 25.9 | Very low | 173 Ų | 173 | 131.7 Ų | 131.7 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | trans | -134.6 | 115.4 | 158.6 | -157.7 | 73.9 | 0 | 0 | 0 | 109.9 | ||||
| 476 | G | 24.2 | Very low | 26.3 | Very low | 77 Ų | 77 | 128.2 Ų | 128.2 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -77.5 | 151.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 477 | S | 24.5 | Very low | 26.1 | Very low | 127 Ų | 127 | 129.8 Ų | 129.8 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | -118.1 | 129.1 | -172.3 | -178.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 478 | A | 23.8 | Very low | 25.9 | Very low | 104 Ų | 104 | 128.8 Ų | 128.8 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -171.5 | 143.3 | 155.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 479 | G | 23.9 | Very low | 25.5 | Very low | 65 Ų | 65 | 128.1 Ų | 128.1 | 67% | 0.67 | 81% | 0.807 | S | S | * | * | cis | 161 | 154.2 | -8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 480 | N | 25.3 | Very low | 25.8 | Very low | 152 Ų | 152 | 124.6 Ų | 124.6 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | 66 | 163 | 174.6 | -62 | -31.2 | 0 | 0 | 0 | 116.3 | ||||
| 481 | Q | 27.2 | Very low | 25.5 | Very low | 165 Ų | 165 | 131.5 Ų | 131.5 | 77% | 0.771 | 81% | 0.805 | S | S | * | * | cis | -171.9 | 167 | -25 | -101.5 | -166.7 | 63.5 | 0 | 0 | 107.4 | ||||
| 482 | S | 24.6 | Very low | 25.5 | Very low | 90 Ų | 90 | 131.7 Ų | 131.7 | 63% | 0.629 | 80% | 0.801 | S | S | * | * | cis | -168.4 | 162.4 | -20.4 | -173.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 483 | S | 25 | Very low | 25.3 | Very low | 117 Ų | 117 | 128.5 Ų | 128.5 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | 65.9 | 161.6 | 171.3 | 80.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 484 | A | 25.5 | Very low | 25.2 | Very low | 97 Ų | 97 | 126.2 Ų | 126.2 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | cis | -146 | -177.9 | 5.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 485 | Q | 22.2 | Very low | 25.1 | Very low | 182 Ų | 182 | 130.1 Ų | 130.1 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | trans | -115.2 | -177.7 | 175.6 | -122.6 | -174 | -12.3 | 0 | 0 | 109.1 | ||||
| 486 | P | 36.3 | Very low | 25.2 | Very low | 102 Ų | 102 | 126.2 Ų | 126.2 | 66% | 0.662 | 79% | 0.792 | S | S | * | * | cis | -138.2 | -161.5 | -14.7 | 35.9 | -13.7 | 0 | 0 | 0 | 114.3 | ||||
| 487 | L | 22.1 | Very low | 25.6 | Very low | 180 Ų | 180 | 128.8 Ų | 128.8 | 94% | 0.942 | 79% | 0.794 | S | S | * | * | trans | 102.3 | 131 | 141.2 | -153.4 | 72.8 | 0 | 0 | 0 | 119.8 | ||||
| 488 | G | 22.4 | Very low | 25.6 | Very low | 76 Ų | 76 | 131.3 Ų | 131.3 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | trans | 138.3 | 125.7 | 161.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 489 | S | 24.2 | Very low | 25.7 | Very low | 114 Ų | 114 | 132.9 Ų | 132.9 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -164.9 | -178.9 | 171.5 | 73.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 490 | P | 38.5 | Very low | 25.8 | Very low | 91 Ų | 91 | 136.5 Ų | 136.5 | 59% | 0.591 | 80% | 0.8 | S | S | * | * | cis | -137.7 | -179.5 | -14.8 | 28.7 | -4.7 | 0 | 0 | 0 | 115.1 | ||||
| 491 | W | 22.1 | Very low | 26 | Very low | 234 Ų | 234 | 137.3 Ų | 137.3 | 89% | 0.886 | 80% | 0.799 | S | S | * | * | trans | 62 | 155.7 | 168.2 | -44.5 | 104.6 | 0 | 0 | 0 | 117.4 | ||||
| 492 | H | 25 | Very low | 26.5 | Very low | 179 Ų | 179 | 135.5 Ų | 135.5 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | cis | -154.6 | -178.3 | 25.4 | -151 | -92 | 0 | 0 | 0 | 112.9 | ||||
| 493 | C | 21.4 | Very low | 26.4 | Very low | 120 Ų | 120 | 134.2 Ų | 134.2 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | -89.5 | 155.7 | -170.5 | 179.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 494 | G | 22 | Very low | 26.8 | Very low | 72 Ų | 72 | 134 Ų | 134 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | trans | -168 | 40.5 | -178 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 495 | K | 22.6 | Very low | 26.9 | Very low | 216 Ų | 216 | 134.8 Ų | 134.8 | 94% | 0.939 | 80% | 0.803 | S | S | * | * | trans | 63.1 | 166.9 | 159.6 | -65.6 | -162.4 | 175.2 | -168.9 | 0 | 121.6 | ||||
| 496 | A | 26.2 | Very low | 27.4 | Very low | 91 Ų | 91 | 130.9 Ų | 130.9 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | trans | -121.6 | -176.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 497 | P | 33.4 | Very low | 27 | Very low | 130 Ų | 130 | 134 Ų | 134 | 84% | 0.844 | 81% | 0.808 | S | S | * | * | -135.7 | 176.2 | 119 | 39.6 | -30 | 0 | 0 | 0 | 114.8 | |||||
| 498 | E | 24.9 | Very low | 27.7 | Very low | 181 Ų | 181 | 130.7 Ų | 130.7 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | -92.4 | 163.5 | -167 | -60.9 | 152.4 | 88.4 | 0 | 0 | 115.3 | ||||
| 499 | T | 24.4 | Very low | 27.9 | Very low | 137 Ų | 137 | 132.2 Ų | 132.2 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | trans | -164.5 | 123.5 | 143 | 2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 500 | V | 26.2 | Very low | 28.4 | Very low | 140 Ų | 140 | 130.3 Ų | 130.3 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | trans | 60.4 | 123 | 153.5 | -176.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 501 | Q | 30.7 | Very low | 28.7 | Very low | 170 Ų | 170 | 131.8 Ų | 131.8 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | -87.9 | 174.7 | 167.4 | -71.7 | -84.4 | -2.5 | 0 | 0 | 111.3 | ||||
| 502 | P | 36.2 | Very low | 29.4 | Very low | 126 Ų | 126 | 127 Ų | 127 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | cis | -127 | 169.5 | 0.9 | 40.6 | -26.2 | 0 | 0 | 0 | 114.9 | ||||
| 503 | G | 23.8 | Very low | 30.3 | Very low | 64 Ų | 64 | 122 Ų | 122 | 66% | 0.66 | 77% | 0.774 | S | S | * | * | trans | -172.7 | 102.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | T505 | G503-T505 PolarHBondContact O-N 3.44Š| ||
| 504 | A | 33.2 | Very low | 31.7 | Very low | 113 Ų | 113 | 120.9 Ų | 120.9 | 93% | 0.934 | 76% | 0.759 | S | S | * | * | trans | -73.4 | 119.4 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 505 | T | 27.9 | Very low | 33.2 | Very low | 113 Ų | 113 | 121.6 Ų | 121.6 | 69% | 0.693 | 75% | 0.75 | S | S | * | * | trans | -130.1 | 108.8 | 175.3 | -51.1 | 0 | 0 | 0 | 0 | 110.5 | G503 Q507 | G503-T505 PolarHBondContact O-N 3.44Å; T505-Q507 PolarHBondContact O-N 3.01Å | ||
| 506 | A | 31.7 | Very low | 34.7 | Very low | 100 Ų | 100 | 115.3 Ų | 115.3 | 83% | 0.826 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 124.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 507 | Q | 28.5 | Very low | 36.3 | Very low | 167 Ų | 167 | 112 Ų | 112 | 78% | 0.78 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 137.7 | 172.5 | -78 | -79.4 | -70.3 | 0 | 0 | 110.1 | T505 | T505-Q507 PolarHBondContact O-N 3.01Š|
| 508 | P | 35.7 | Very low | 37.5 | Very low | 111 Ų | 111 | 109.2 Ų | 109.2 | 72% | 0.721 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 135.8 | -179.3 | 30.3 | -34.1 | 0 | 0 | 0 | 111.5 | S510 | P508-S510 PolarHBondContact O-N 2.94Š|
| 509 | A | 28.1 | Very low | 38.9 | Very low | 107 Ų | 107 | 107.1 Ų | 107.1 | 88% | 0.884 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -64 | 119.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 510 | S | 34.8 | Very low | 40.6 | Very low | 75 Ų | 75 | 103.5 Ų | 103.5 | 52% | 0.524 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -68.2 | 148.8 | -176.6 | 30.5 | 0 | 0 | 0 | 0 | 113.5 | P508 H512 | P508-S510 PolarHBondContact O-N 2.94Å; S510-H512 PolarHBondContact O-CD2 2.66Å; S510-H512 PolarHBondContact O-N 3.04Å; S510-H512 PolarHBondContact OG-CE1 3.35Å; S510-H512 PolarHBondContact OG-NE2 3.49Å |
| 511 | S | 43 | Very low | 42.2 | Very low | 122 Ų | 122 | 96.9 Ų | 96.9 | 85% | 0.853 | 59% | 0.592 | S | S | * | * | trans | -71.9 | 88.4 | 167.6 | 54 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 512 | H | 37.7 | Very low | 43.3 | Very low | 133 Ų | 133 | 97.2 Ų | 97.2 | 62% | 0.616 | 59% | 0.586 | S | S | * | * | trans | -69.1 | 136.4 | 176.9 | -69.4 | -87.6 | 0 | 0 | 0 | 111.3 | S510 | S510-H512 PolarHBondContact O-CD2 2.66Å; S510-H512 PolarHBondContact O-N 3.04Å; S510-H512 PolarHBondContact OG-CE1 3.35Å; S510-H512 PolarHBondContact OG-NE2 3.49Å | ||
| 513 | S | 44.7 | Very low | 44 | Very low | 74 Ų | 74 | 95.9 Ų | 95.9 | 52% | 0.517 | 58% | 0.58 | S | S | . | * | trans | -95.6 | 152.2 | -171.3 | 59 | 0 | 0 | 0 | 0 | 112.9 | P515 H516 | S513-P515 VanDerWaalsContact C-N 3.32Å; S513-P515 WeakPolarHBondContact O-CD 3.43Å; S513-H516 WeakPolarHBondContact O-CB 3.13Å; S513-H516 PolarHBondContact O-N 3.49Å | ||
| 514 | L | 51.1 | Low | 45.8 | Very low | 96 Ų | 96 | 94.5 Ų | 94.5 | 50% | 0.503 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -40.6 | -39 | 179.2 | -67 | 169.4 | 0 | 0 | 0 | 117 | H516 I517 K518 | L514-H516 PolarHBondContact O-N 3.48Å; L514-I517 PolarHBondContact O-N 3.47Å; L514-K518 PolarHBondContact O-N 2.84Å |
| 515 | P | 51.7 | Low | 47.2 | Very low | 87 Ų | 87 | 94 Ų | 94 | 57% | 0.565 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -58.5 | -29 | 174.2 | 20.3 | -34.5 | 0 | 0 | 0 | 114.7 | S513 K518 Q519 | S513-P515 VanDerWaalsContact C-N 3.32Å; S513-P515 WeakPolarHBondContact O-CD 3.43Å; P515-K518 WeakPolarHBondContact O-CB 3.4Å; P515-K518 PolarHBondContact O-N 2.74Å; P515-Q519 PolarHBondContact O-N 3.24Å; P515-Q519 VanDerWaalsContact O-N 3.07Å |
| 516 | H | 54.7 | Low | 49.2 | Very low | 85 Ų | 85 | 89 Ų | 89 | 39% | 0.394 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.2 | -44.5 | -180 | -164.6 | 56.4 | 0 | 0 | 0 | 111.8 | S513 L514 K518 Q519 Q520 | S513-H516 WeakPolarHBondContact O-CB 3.13Å; S513-H516 PolarHBondContact O-N 3.49Å; L514-H516 PolarHBondContact O-N 3.48Å; H516-K518 PolarHBondContact O-N 3.25Å; H516-Q519 PolarHBondContact O-N 3.49Å; H516-Q519 VanDerWaalsContact O-N 3.07Å; H516-Q520 PolarHBondContact O-N 3.42Å |
| 517 | I | 61 | Low | 51.6 | Low | 20 Ų | 20 | 84.8 Ų | 84.8 | 10% | 0.103 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -58 | -40 | 175.9 | -60.9 | 167.9 | 0 | 0 | 0 | 110.6 | L514 Q520 L521 Y558 G578 | L514-I517 PolarHBondContact O-N 3.47Å; I517-Q520 PolarHBondContact O-N 3.3Å; I517-L521 HydrophobicContact CG2-CD1 4.03Å; I517-L521 WeakPolarHBondContact O-CB 3.44Å; I517-L521 WeakPolarHBondContact O-CG 3.05Å; I517-L521 PolarHBondContact O-N 2.86Å; I517-Y558 HydrophobicContact CG2-CD2 4.13Å; I517-Y558 HydrophobicContact CG2-CE2 3.8Å; I517-G578 WeakPolarHBondContact CD1-O 3.48Å |
| 518 | K | 56.9 | Low | 53.9 | Low | 73 Ų | 73 | 78.2 Ų | 78.2 | 32% | 0.317 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.1 | -43.5 | 175.6 | -173 | 168.5 | 177.5 | 166.7 | 0 | 112.5 | L514 P515 H516 Q520 W522 Y558 | L514-K518 PolarHBondContact O-N 2.84Å; P515-K518 WeakPolarHBondContact O-CB 3.4Å; P515-K518 PolarHBondContact O-N 2.74Å; H516-K518 PolarHBondContact O-N 3.25Å; K518-Q520 VanDerWaalsContact C-N 3.32Å; K518-W522 HydrophobicContact CD-CZ2 4.5Å; K518-W522 VanDerWaalsContact CE-CZ2 3.5Å; K518-W522 HydrophobicContact CG-CZ2 4.44Å; K518-W522 VanDerWaalsContact O-CG 3.27Å; K518-W522 PolarHBondContact O-N 3.18Å; K518-W522 VanDerWaalsContact O-N 3.12Å; K518-Y558 WeakPolarHBondContact CA-OH 3.41Å; K518-Y558 VanDerWaalsContact CB-OH 3.27Å; K518-Y558 WeakPolarHBondContact CB-OH 3.24Å |
| 519 | Q | 55.3 | Low | 56.1 | Low | 137 Ų | 137 | 73.6 Ų | 73.6 | 64% | 0.64 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -68.7 | -31.8 | 179.9 | -170.4 | 174 | 8.2 | 0 | 0 | 112.2 | P515 H516 | P515-Q519 PolarHBondContact O-N 3.24Å; P515-Q519 VanDerWaalsContact O-N 3.07Å; H516-Q519 PolarHBondContact O-N 3.49Å; H516-Q519 VanDerWaalsContact O-N 3.07Å |
| 520 | Q | 59.7 | Low | 58.5 | Low | 60 Ų | 60 | 75.5 Ų | 75.5 | 28% | 0.28 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -75.7 | -45 | 174.9 | -173.9 | 161.7 | -11.2 | 0 | 0 | 112.3 | H516 I517 K518 W522 S523 N589 | H516-Q520 PolarHBondContact O-N 3.42Å; I517-Q520 PolarHBondContact O-N 3.3Å; K518-Q520 VanDerWaalsContact C-N 3.32Å; Q520-W522 PolarHBondContact O-N 2.98Å; Q520-S523 PolarHBondContact O-N 2.79Å; Q520-S523 PolarHBondContact O-OG 3.24Å; Q520-N589 VanDerWaalsContact NE2-CG 3.3Å; Q520-N589 PolarHBondContact NE2-ND2 2.85Å; Q520-N589 VanDerWaalsContact OE1-CG 3.25Å; Q520-N589 PolarHBondContact OE1-OD1 3.38Å |
| 521 | L | 60.8 | Low | 60.8 | Low | 1 Ų | 1 | 73.3 Ų | 73.3 | 1% | 0.005 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.1 | -26.6 | 173.5 | -80.1 | 170.8 | 0 | 0 | 0 | 113.1 | I517 S523 E524 Y527 V548 Y558 V590 | I517-L521 HydrophobicContact CG2-CD1 4.03Å; I517-L521 WeakPolarHBondContact O-CB 3.44Å; I517-L521 WeakPolarHBondContact O-CG 3.05Å; I517-L521 PolarHBondContact O-N 2.86Å; L521-S523 PolarHBondContact O-N 3.22Å; L521-E524 PolarHBondContact O-N 3.02Å; L521-Y527 HydrophobicContact CB-CD1 4.45Å; L521-Y527 HydrophobicContact CB-CD2 3.95Å; L521-Y527 HydrophobicContact CB-CE2 4.24Å; L521-Y527 HydrophobicContact CB-CG 4.06Å; L521-Y527 HydrophobicContact CD1-CD2 4.31Å; L521-Y527 HydrophobicContact CD1-CE2 4.21Å; L521-Y527 HydrophobicContact CD2-CD2 4.2Å; L521-Y527 HydrophobicContact CG-CD2 4.4Å; L521-Y527 WeakPolarHBondContact O-CB 3.32Å; L521-V548 HydrophobicContact CD2-CG1 4.1Å; L521-Y558 HydrophobicContact CD1-CD1 3.43Å; L521-Y558 VanDerWaalsContact CD1-CD1 3.43Å; L521-Y558 HydrophobicContact CD1-CD2 3.94Å; L521-Y558 HydrophobicContact CD1-CE1 3.49Å; L521-Y558 VanDerWaalsContact CD1-CE1 3.49Å; L521-Y558 HydrophobicContact CD1-CE2 3.99Å; L521-Y558 HydrophobicContact CD1-CG 3.65Å; L521-V590 HydrophobicContact CD1-CG2 4.35Å; L521-V590 HydrophobicContact CD2-CB 3.8Å; L521-V590 HydrophobicContact CD2-CG1 3.74Å; L521-V590 HydrophobicContact CD2-CG2 4.32Å; L521-V590 HydrophobicContact CG-CB 4.39Å |
| 522 | W | 52.6 | Low | 62.7 | Low | 177 Ų | 177 | 70.3 Ų | 70.3 | 67% | 0.67 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -12.4 | 174.5 | -80.9 | -0.5 | 0 | 0 | 0 | 115.1 | K518 Q520 Y527 | K518-W522 HydrophobicContact CD-CZ2 4.5Å; K518-W522 VanDerWaalsContact CE-CZ2 3.5Å; K518-W522 HydrophobicContact CG-CZ2 4.44Å; K518-W522 VanDerWaalsContact O-CG 3.27Å; K518-W522 PolarHBondContact O-N 3.18Å; K518-W522 VanDerWaalsContact O-N 3.12Å; Q520-W522 PolarHBondContact O-N 2.98Å; W522-Y527 AromaticContact CD1-CD1 3.88Å; W522-Y527 AromaticContact CD1-CE1 3.49Å; W522-Y527 VanDerWaalsContact CD1-CE1 3.49Å; W522-Y527 AromaticContact NE1-CE1 3.78Å |
| 523 | S | 50.9 | Low | 65 | Low | 98 Ų | 98 | 70.7 Ų | 70.7 | 69% | 0.685 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | -1.3 | 172.6 | 66.7 | 0 | 0 | 0 | 0 | 114.3 | Q520 L521 | Q520-S523 PolarHBondContact O-N 2.79Å; Q520-S523 PolarHBondContact O-OG 3.24Å; L521-S523 PolarHBondContact O-N 3.22Å |
| 524 | E | 63 | Low | 66.8 | Low | 35 Ų | 35 | 75 Ų | 75 | 16% | 0.164 | 36% | 0.363 | C | S | . | . | trans | -95 | 122.4 | -177.8 | -65.7 | 178.2 | -152.9 | 0 | 0 | 111.4 | L521 C526 Y527 G591 | L521-E524 PolarHBondContact O-N 3.02Å; E524-C526 PolarHBondContact O-N 2.86Å; E524-Y527 WeakPolarHBondContact O-CB 3.37Å; E524-Y527 PolarHBondContact O-N 3.07Å; E524-G591 WeakPolarHBondContact OE1-CA 3.35Å; E524-G591 PolarHBondContact OE1-N 3.4Å | ||
| 525 | E | 60.7 | Low | 68.4 | Low | 104 Ų | 104 | 72.1 Ų | 72.1 | 49% | 0.486 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -23 | -176.8 | -60.1 | -174.4 | 165.2 | 0 | 0 | 114.3 | R618 K619 | E525-R618 HydrophobicContact CB-CG 4.39Å; E525-R618 IonicContact OE1-CZ 3.31Å; E525-R618 IonicContact OE1-NE 3.89Å; E525-R618 IonicContact OE1-NH2 2.8Å; E525-R618 PolarHBondContact OE1-NH2 3.07Å; E525-R618 IonicContact OE2-CZ 2.68Å; E525-R618 IonicContact OE2-NE 2.98Å; E525-R618 PolarHBondContact OE2-NE 3.39Å; E525-R618 IonicContact OE2-NH2 2.88Å; E525-R618 PolarHBondContact OE2-NH2 2.82Å; E525-K619 PolarHBondContact O-N 3.12Å |
| 526 | C | 71.8 | Confident | 70.1 | Confident | 6 Ų | 6 | 68 Ų | 68 | 4% | 0.041 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -1.3 | 179.2 | 74.8 | 0 | 0 | 0 | 0 | 114.2 | E524 H528 F546 L547 V548 P616 | E524-C526 PolarHBondContact O-N 2.86Å; C526-H528 PolarHBondContact O-CD2 3.09Å; C526-F546 HydrophobicContact CB-CD2 4.45Å; C526-F546 HydrophobicContact CB-CE2 3.93Å; C526-L547 WeakPolarHBondContact O-CA 3Å; C526-V548 PolarHBondContact O-N 3.31Å; C526-P616 HydrophobicContact CB-CB 3.72Å |
| 527 | Y | 81.4 | Confident | 71.7 | Confident | 13 Ų | 13 | 66.7 Ų | 66.7 | 5% | 0.051 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 112.8 | -178.6 | -178.4 | -104.6 | 0 | 0 | 0 | 112.7 | L521 W522 E524 V548 Y558 | L521-Y527 HydrophobicContact CB-CD1 4.45Å; L521-Y527 HydrophobicContact CB-CD2 3.95Å; L521-Y527 HydrophobicContact CB-CE2 4.24Å; L521-Y527 HydrophobicContact CB-CG 4.06Å; L521-Y527 HydrophobicContact CD1-CD2 4.31Å; L521-Y527 HydrophobicContact CD1-CE2 4.21Å; L521-Y527 HydrophobicContact CD2-CD2 4.2Å; L521-Y527 HydrophobicContact CG-CD2 4.4Å; L521-Y527 WeakPolarHBondContact O-CB 3.32Å; W522-Y527 AromaticContact CD1-CD1 3.88Å; W522-Y527 AromaticContact CD1-CE1 3.49Å; W522-Y527 VanDerWaalsContact CD1-CE1 3.49Å; W522-Y527 AromaticContact NE1-CE1 3.78Å; E524-Y527 WeakPolarHBondContact O-CB 3.37Å; E524-Y527 PolarHBondContact O-N 3.07Å; Y527-V548 WeakPolarHBondContact CA-O 3.24Å; Y527-V548 HydrophobicContact CD2-CB 4.13Å; Y527-V548 HydrophobicContact CD2-CG1 3.91Å; Y527-V548 HydrophobicContact CE2-CG1 4.39Å; Y527-Y558 AromaticContact CE2-CD1 3.84Å; Y527-Y558 HydrophobicContact CE2-CD1 3.84Å; Y527-Y558 AromaticContact CE2-CE1 3.75Å; Y527-Y558 HydrophobicContact CE2-CE1 3.75Å |
| 528 | H | 76.9 | Confident | 72.9 | Confident | 29 Ų | 29 | 70.4 Ų | 70.4 | 13% | 0.134 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -4.6 | -175.4 | -75.5 | -124 | 0 | 0 | 0 | 114 | C526 L531 V548 V617 | C526-H528 PolarHBondContact O-CD2 3.09Å; H528-L531 HydrophobicContact CB-CB 4.25Å; H528-L531 HydrophobicContact CB-CD2 3.92Å; H528-V548 PolarHBondContact N-O 3.42Å; H528-V617 PolarHBondContact NE2-O 2.84Å |
| 529 | G | 80.7 | Confident | 74.2 | Confident | 14 Ų | 14 | 68.9 Ų | 68.9 | 14% | 0.144 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 73 | -143.6 | -173 | 0 | 0 | 0 | 0 | 0 | 112.4 | L531 R549 E550 | G529-L531 PolarHBondContact O-N 3.3Å; G529-R549 CarbonylContact O-C 3.55Å; G529-R549 WeakPolarHBondContact O-CA 3.42Å; G529-E550 PolarHBondContact O-N 3.01Å |
| 530 | K | 79.3 | Confident | 75.7 | Confident | 147 Ų | 147 | 63 Ų | 63 | 64% | 0.639 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 83.7 | -178.5 | -67.5 | -173.3 | 175.6 | -173 | 0 | 111.3 | E550 | K530-E550 WeakPolarHBondContact CE-OE1 3.44Å; K530-E550 WeakPolarHBondContact CE-OE2 3.25Å; K530-E550 HydrophobicContact CG-CB 4.07Å; K530-E550 HydrophobicContact CG-CG 4.21Å; K530-E550 WeakPolarHBondContact CG-OE2 3.32Å |
| 531 | L | 83.1 | Confident | 76.8 | Confident | 29 Ų | 29 | 65.5 Ų | 65.5 | 15% | 0.152 | 34% | 0.336 | C | S | . | . | trans | -106.1 | 133.4 | 178.8 | -165.2 | 66.6 | 0 | 0 | 0 | 111 | H528 G529 A535 A536 L539 L547 R549 | H528-L531 HydrophobicContact CB-CB 4.25Å; H528-L531 HydrophobicContact CB-CD2 3.92Å; G529-L531 PolarHBondContact O-N 3.3Å; L531-A535 HydrophobicContact CD1-CB 3.62Å; L531-A535 HydrophobicContact CG-CB 4.02Å; L531-A536 HydrophobicContact CD2-CB 3.82Å; L531-A536 HydrophobicContact CG-CB 4.36Å; L531-L539 HydrophobicContact CD2-CD1 4.02Å; L531-L547 HydrophobicContact CD2-CD1 3.91Å; L531-L547 HydrophobicContact CD2-CD2 4.1Å; L531-R549 HydrophobicContact CB-CB 3.77Å; L531-R549 WeakPolarHBondContact O-CD 3.3Å; L531-R549 PolarHBondContact O-NH1 3.08Å; L531-R549 VanDerWaalsContact O-NH1 3.13Å | ||
| 532 | S | 83.6 | Confident | 77.9 | Confident | 59 Ų | 59 | 71.7 Ų | 71.7 | 41% | 0.413 | 36% | 0.362 | S | S | . | . | trans | -69.1 | 157.2 | 175.7 | 81.5 | 0 | 0 | 0 | 0 | 110.8 | K534 A535 A536 | S532-K534 PolarHBondContact O-N 2.93Å; S532-A535 PolarHBondContact O-N 2.97Å; S532-A535 VanDerWaalsContact OG-CB 3.3Å; S532-A535 WeakPolarHBondContact OG-CB 3.44Å; S532-A535 PolarHBondContact OG-N 2.99Å; S532-A536 PolarHBondContact O-N 2.86Å | ||
| 533 | R | 84.7 | Confident | 79.4 | Confident | 141 Ų | 141 | 67.3 Ų | 67.3 | 53% | 0.532 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -55.8 | -51.7 | 177.9 | -176.3 | -177.1 | 161.9 | 163.7 | 1.3 | 111.3 | A535 A536 E537 H570 | R533-A535 VanDerWaalsContact C-N 3.35Å; R533-A535 PolarHBondContact O-N 2.83Å; R533-A536 WeakPolarHBondContact O-CB 3.43Å; R533-A536 PolarHBondContact O-N 2.8Å; R533-A536 VanDerWaalsContact O-N 3.16Å; R533-E537 HydrophobicContact CG-CG 4.42Å; R533-E537 IonicContact CZ-OE1 3.77Å; R533-E537 VanDerWaalsContact CZ-OE1 3.24Å; R533-E537 IonicContact NE-OE1 2.82Å; R533-E537 PolarHBondContact NE-OE1 3.42Å; R533-E537 IonicContact NE-OE2 3.66Å; R533-E537 IonicContact NH2-OE1 2.72Å; R533-E537 PolarHBondContact NH2-OE1 3.33Å; R533-E537 WeakPolarHBondContact O-CG 3.42Å; R533-E537 PolarHBondContact O-N 3.08Å; R533-H570 WeakPolarHBondContact CG-NE2 3.5Å; R533-H570 PolarHBondContact NE-CD2 2.97Å; R533-H570 PolarHBondContact NE-NE2 3.05Å |
| 534 | K | 84 | Confident | 80.8 | Confident | 164 Ų | 164 | 62.8 Ų | 62.8 | 71% | 0.713 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -60.7 | -40.2 | -180 | -64.5 | -171.5 | 177.4 | -173.6 | 0 | 113.1 | S532 E537 S538 | S532-K534 PolarHBondContact O-N 2.93Å; K534-E537 WeakPolarHBondContact CA-OE2 3.5Å; K534-E537 PolarHBondContact O-N 2.99Å; K534-S538 PolarHBondContact O-N 3.16Å; K534-S538 PolarHBondContact O-OG 3.18Å; K534-S538 VanDerWaalsContact O-OG 3.08Å |
| 535 | A | 84.1 | Confident | 82 | Confident | 35 Ų | 35 | 61.5 Ų | 61.5 | 29% | 0.289 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68.2 | -35.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | L531 S532 R533 S538 L539 | L531-A535 HydrophobicContact CD1-CB 3.62Å; L531-A535 HydrophobicContact CG-CB 4.02Å; S532-A535 PolarHBondContact O-N 2.97Å; S532-A535 VanDerWaalsContact OG-CB 3.3Å; S532-A535 WeakPolarHBondContact OG-CB 3.44Å; S532-A535 PolarHBondContact OG-N 2.99Å; R533-A535 VanDerWaalsContact C-N 3.35Å; R533-A535 PolarHBondContact O-N 2.83Å; A535-S538 PolarHBondContact O-N 3Å; A535-L539 WeakPolarHBondContact O-CG 3.23Å; A535-L539 PolarHBondContact O-N 3.39Å |
| 536 | A | 86.5 | Confident | 83.3 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.8 | -45.2 | 171 | 0 | 0 | 0 | 0 | 0 | 111.8 | L531 S532 R533 S538 L539 L540 L547 | L531-A536 HydrophobicContact CD2-CB 3.82Å; L531-A536 HydrophobicContact CG-CB 4.36Å; S532-A536 PolarHBondContact O-N 2.86Å; R533-A536 WeakPolarHBondContact O-CB 3.43Å; R533-A536 PolarHBondContact O-N 2.8Å; R533-A536 VanDerWaalsContact O-N 3.16Å; A536-S538 PolarHBondContact O-N 2.85Å; A536-L539 PolarHBondContact O-N 2.87Å; A536-L539 VanDerWaalsContact O-N 3.09Å; A536-L540 WeakPolarHBondContact O-CG 3.17Å; A536-L540 PolarHBondContact O-N 3.28Å; A536-L547 HydrophobicContact CB-CD1 4Å; A536-L547 HydrophobicContact CB-CD2 4.32Å |
| 537 | E | 88.7 | Confident | 84.1 | Confident | 59 Ų | 59 | 56.3 Ų | 56.3 | 28% | 0.276 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.6 | -34 | 176 | -68.1 | 167.2 | 149.1 | 0 | 0 | 112.1 | R533 K534 A568 H570 | R533-E537 HydrophobicContact CG-CG 4.42Å; R533-E537 IonicContact CZ-OE1 3.77Å; R533-E537 VanDerWaalsContact CZ-OE1 3.24Å; R533-E537 IonicContact NE-OE1 2.82Å; R533-E537 PolarHBondContact NE-OE1 3.42Å; R533-E537 IonicContact NE-OE2 3.66Å; R533-E537 IonicContact NH2-OE1 2.72Å; R533-E537 PolarHBondContact NH2-OE1 3.33Å; R533-E537 WeakPolarHBondContact O-CG 3.42Å; R533-E537 PolarHBondContact O-N 3.08Å; K534-E537 WeakPolarHBondContact CA-OE2 3.5Å; K534-E537 PolarHBondContact O-N 2.99Å; E537-A568 HydrophobicContact CB-CB 4.41Å; E537-A568 HydrophobicContact CG-CB 3.77Å; E537-H570 IonicContact OE1-NE2 3.2Å; E537-H570 PolarHBondContact OE1-NE2 2.92Å |
| 538 | S | 85.4 | Confident | 84.4 | Confident | 97 Ų | 97 | 55.7 Ų | 55.7 | 68% | 0.678 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -77.6 | -13.7 | 175.9 | -57.5 | 0 | 0 | 0 | 0 | 115.6 | K534 A535 A536 | K534-S538 PolarHBondContact O-N 3.16Å; K534-S538 PolarHBondContact O-OG 3.18Å; K534-S538 VanDerWaalsContact O-OG 3.08Å; A535-S538 PolarHBondContact O-N 3Å; A536-S538 PolarHBondContact O-N 2.85Å |
| 539 | L | 84.8 | Confident | 84.9 | Confident | 42 Ų | 42 | 55.1 Ų | 55.1 | 22% | 0.22 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -97.6 | -5 | 177.4 | -68.4 | 175.5 | 0 | 0 | 0 | 113 | L531 A535 A536 L547 V617 | L531-L539 HydrophobicContact CD2-CD1 4.02Å; A535-L539 WeakPolarHBondContact O-CG 3.23Å; A535-L539 PolarHBondContact O-N 3.39Å; A536-L539 PolarHBondContact O-N 2.87Å; A536-L539 VanDerWaalsContact O-N 3.09Å; L539-L547 HydrophobicContact CB-CD2 4.1Å; L539-L547 HydrophobicContact CD1-CD2 4.42Å; L539-V617 HydrophobicContact CB-CG1 4.25Å |
| 540 | L | 86.7 | Confident | 85 | Confident | 12 Ų | 12 | 55.1 Ų | 55.1 | 6% | 0.063 | 28% | 0.281 | C | S | . | . | trans | -97.6 | 109.9 | 178.2 | -69 | 172.1 | 0 | 0 | 0 | 109.3 | A536 D545 L563 A568 V617 | A536-L540 WeakPolarHBondContact O-CG 3.17Å; A536-L540 PolarHBondContact O-N 3.28Å; L540-D545 HydrophobicContact CD2-CB 3.8Å; L540-D545 WeakPolarHBondContact CD2-O 3.34Å; L540-L563 HydrophobicContact CB-CB 4.23Å; L540-L563 HydrophobicContact CB-CD1 4.18Å; L540-A568 HydrophobicContact CD1-CB 4.26Å; L540-V617 HydrophobicContact CD2-CG2 4.16Å | ||
| 541 | V | 83 | Confident | 84.8 | Confident | 114 Ų | 114 | 48.8 Ų | 48.8 | 69% | 0.691 | 26% | 0.255 | S | S | * | . | trans | -115.7 | -29 | -168.6 | -176.3 | 0 | 0 | 0 | 0 | 112.6 | D545 | V541-D545 PolarHBondContact N-OD2 3.33Š| ||
| 542 | K | 83.1 | Confident | 84 | Confident | 131 Ų | 131 | 50.9 Ų | 50.9 | 57% | 0.57 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -125.5 | 148.7 | -177.6 | -60 | 178.3 | -177.2 | 176.1 | 0 | 111.4 | G544 D545 L563 | K542-G544 PolarHBondContact O-N 3.13Å; K542-D545 PolarHBondContact N-OD2 3.45Å; K542-D545 VanDerWaalsContact O-CB 3.23Å; K542-D545 WeakPolarHBondContact O-CB 3.17Å; K542-D545 PolarHBondContact O-N 2.85Å; K542-L563 WeakPolarHBondContact O-CB 3.29Å |
| 543 | D | 84.8 | Confident | 83.1 | Confident | 84 Ų | 84 | 53.9 Ų | 53.9 | 45% | 0.449 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | 120.7 | 175 | -78.7 | -32 | 0 | 0 | 0 | 111.3 | Q564 G565 G566 | D543-Q564 VanDerWaalsContact OD1-C 3.31Å; D543-Q564 VanDerWaalsContact OD1-CA 3.26Å; D543-Q564 WeakPolarHBondContact OD1-CA 3.36Å; D543-G565 VanDerWaalsContact CG-N 3.27Å; D543-G565 PolarHBondContact OD1-N 3.4Å; D543-G565 PolarHBondContact OD2-N 2.82Å; D543-G566 PolarHBondContact OD1-N 3.48Å |
| 544 | G | 80.6 | Confident | 82.2 | Confident | 3 Ų | 3 | 49 Ų | 49 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 97.4 | -4.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | K542 L563 K614 Q615 | K542-G544 PolarHBondContact O-N 3.13Å; G544-L563 PolarHBondContact N-O 3.1Å; G544-K614 PolarHBondContact O-N 3.22Å; G544-Q615 PolarHBondContact O-N 3.26Å |
| 545 | D | 88 | Confident | 81.3 | Confident | 8 Ų | 8 | 46 Ų | 46 | 4% | 0.043 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 140.1 | 163.2 | -77.3 | -17.6 | 0 | 0 | 0 | 109.6 | L540 V541 K542 G562 L563 Q615 V617 | L540-D545 HydrophobicContact CD2-CB 3.8Å; L540-D545 WeakPolarHBondContact CD2-O 3.34Å; V541-D545 PolarHBondContact N-OD2 3.33Å; K542-D545 PolarHBondContact N-OD2 3.45Å; K542-D545 VanDerWaalsContact O-CB 3.23Å; K542-D545 WeakPolarHBondContact O-CB 3.17Å; K542-D545 PolarHBondContact O-N 2.85Å; D545-G562 CarbonylContact O-C 3.53Å; D545-G562 WeakPolarHBondContact O-CA 3.35Å; D545-L563 PolarHBondContact O-N 2.94Å; D545-Q615 CarbonylContact C-O 3.56Å; D545-Q615 WeakPolarHBondContact CA-O 3.35Å; D545-Q615 PolarHBondContact OD1-NE2 2.96Å; D545-Q615 VanDerWaalsContact OD1-NE2 3.1Å; D545-V617 HydrophobicContact CB-CG2 3.79Å |
| 546 | F | 88.8 | Confident | 80.5 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 157.3 | 173.6 | 73.3 | -87.9 | 0 | 0 | 0 | 114.1 | C526 L560 S561 I594 M598 L613 Q615 P616 V617 | C526-F546 HydrophobicContact CB-CD2 4.45Å; C526-F546 HydrophobicContact CB-CE2 3.93Å; F546-L560 HydrophobicContact CB-CD1 4.34Å; F546-L560 HydrophobicContact CD2-CD1 3.77Å; F546-L560 HydrophobicContact CG-CD1 4.42Å; F546-S561 CarbonylContact C-O 3.49Å; F546-S561 VanDerWaalsContact CA-O 3.25Å; F546-S561 WeakPolarHBondContact CA-O 3.33Å; F546-I594 HydrophobicContact CE2-CD1 4.23Å; F546-I594 HydrophobicContact CE2-CG1 4.43Å; F546-I594 HydrophobicContact CE2-CG2 3.66Å; F546-I594 HydrophobicContact CZ-CG2 3.59Å; F546-M598 HydrophobicContact CE1-CE 4.45Å; F546-M598 HydrophobicContact CE1-CG 4.23Å; F546-M598 HydrophobicContact CE1-SD 3.75Å; F546-M598 HydrophobicContact CZ-CG 4.35Å; F546-M598 HydrophobicContact CZ-SD 3.53Å; F546-M598 VanDerWaalsContact CZ-SD 3.53Å; F546-L613 HydrophobicContact CB-CD2 3.79Å; F546-L613 HydrophobicContact CD1-CB 3.83Å; F546-L613 HydrophobicContact CD1-CD2 4Å; F546-L613 HydrophobicContact CD1-CG 4.36Å; F546-L613 HydrophobicContact CD2-CD2 4.35Å; F546-L613 HydrophobicContact CE1-CB 3.88Å; F546-L613 HydrophobicContact CG-CB 4.42Å; F546-L613 HydrophobicContact CG-CD2 3.78Å; F546-L613 HydrophobicContact CG-CG 4.48Å; F546-Q615 VanDerWaalsContact CD1-O 3.29Å; F546-Q615 WeakPolarHBondContact CD1-O 3.22Å; F546-Q615 VanDerWaalsContact CE1-C 3.49Å; F546-Q615 PolarHBondContact N-O 3.06Å; F546-P616 HydrophobicContact CE1-CB 4.21Å; F546-P616 HydrophobicContact CE2-CB 4.24Å; F546-P616 HydrophobicContact CZ-CB 3.79Å; F546-V617 PolarHBondContact O-N 3.28Å |
| 547 | L | 88.1 | Confident | 80 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 156.9 | 171 | 63.6 | 87.8 | 0 | 0 | 0 | 112 | C526 L531 A536 L539 R549 S561 V617 | C526-L547 WeakPolarHBondContact O-CA 3Å; L531-L547 HydrophobicContact CD2-CD1 3.91Å; L531-L547 HydrophobicContact CD2-CD2 4.1Å; A536-L547 HydrophobicContact CB-CD1 4Å; A536-L547 HydrophobicContact CB-CD2 4.32Å; L539-L547 HydrophobicContact CB-CD2 4.1Å; L539-L547 HydrophobicContact CD1-CD2 4.42Å; L547-R549 HydrophobicContact CD1-CB 4.12Å; L547-R549 HydrophobicContact CD1-CG 4.33Å; L547-S561 PolarHBondContact N-O 2.76Å; L547-S561 PolarHBondContact O-N 2.97Å; L547-V617 HydrophobicContact CB-CB 4.35Å; L547-V617 HydrophobicContact CD2-CB 4.46Å |
| 548 | V | 87.9 | Confident | 79.6 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 134.9 | 171.4 | -176.5 | 0 | 0 | 0 | 0 | 109.8 | L521 C526 Y527 H528 L560 L573 V590 I594 | L521-V548 HydrophobicContact CD2-CG1 4.1Å; C526-V548 PolarHBondContact O-N 3.31Å; Y527-V548 WeakPolarHBondContact CA-O 3.24Å; Y527-V548 HydrophobicContact CD2-CB 4.13Å; Y527-V548 HydrophobicContact CD2-CG1 3.91Å; Y527-V548 HydrophobicContact CE2-CG1 4.39Å; H528-V548 PolarHBondContact N-O 3.42Å; V548-L560 HydrophobicContact CG2-CD1 3.92Å; V548-L573 HydrophobicContact CG1-CD1 3.9Å; V548-L573 HydrophobicContact CG2-CD1 4.1Å; V548-V590 HydrophobicContact CG2-CG1 4.24Å; V548-I594 HydrophobicContact CG2-CD1 3.67Å |
| 549 | R | 86.3 | Confident | 79.6 | Confident | 18 Ų | 18 | 42.9 Ų | 42.9 | 7% | 0.068 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 145.5 | 177.4 | 63.3 | -168.2 | -176.1 | 75.5 | 8.5 | 112.4 | G529 L531 L547 V559 S561 | G529-R549 CarbonylContact O-C 3.55Å; G529-R549 WeakPolarHBondContact O-CA 3.42Å; L531-R549 HydrophobicContact CB-CB 3.77Å; L531-R549 WeakPolarHBondContact O-CD 3.3Å; L531-R549 PolarHBondContact O-NH1 3.08Å; L531-R549 VanDerWaalsContact O-NH1 3.13Å; L547-R549 HydrophobicContact CD1-CB 4.12Å; L547-R549 HydrophobicContact CD1-CG 4.33Å; R549-V559 HydrophobicContact CG-CB 4.23Å; R549-V559 PolarHBondContact N-O 2.9Å; R549-V559 PolarHBondContact O-N 3.16Å; R549-S561 PolarHBondContact NE-OG 3.19Å |
| 550 | E | 83.3 | Confident | 79.7 | Confident | 13 Ų | 13 | 41 Ų | 41 | 6% | 0.061 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 136.4 | 165.5 | -173.2 | -177.9 | 179.1 | 0 | 0 | 109 | G529 K530 A552 G556 Y558 | G529-E550 PolarHBondContact O-N 3.01Å; K530-E550 WeakPolarHBondContact CE-OE1 3.44Å; K530-E550 WeakPolarHBondContact CE-OE2 3.25Å; K530-E550 HydrophobicContact CG-CB 4.07Å; K530-E550 HydrophobicContact CG-CG 4.21Å; K530-E550 WeakPolarHBondContact CG-OE2 3.32Å; E550-A552 PolarHBondContact O-N 3.38Å; E550-G556 PolarHBondContact OE1-N 2.94Å; E550-Y558 HydrophobicContact CB-CD1 4.46Å; E550-Y558 HydrophobicContact CB-CE1 4.33Å |
| 551 | S | 74.4 | Confident | 79.8 | Confident | 15 Ų | 15 | 40.4 Ų | 40.4 | 11% | 0.105 | 24% | 0.241 | C | C | . | . | trans | -69.2 | 120.2 | -179.6 | -172.7 | 0 | 0 | 0 | 0 | 111.5 | T553 S554 Q557 | S551-T553 PolarHBondContact O-N 2.98Å; S551-T553 PolarHBondContact OG-OG1 2.82Å; S551-S554 CarbonylContact O-C 3.43Å; S551-S554 PolarHBondContact O-N 3.14Å; S551-S554 VanDerWaalsContact O-N 3.12Å; S551-Q557 PolarHBondContact N-O 3.13Å | ||
| 552 | A | 66.9 | Low | 80.1 | Confident | 72 Ų | 72 | 35 Ų | 35 | 60% | 0.595 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -23.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | E550 | E550-A552 PolarHBondContact O-N 3.38Š|
| 553 | T | 65.4 | Low | 80.3 | Confident | 123 Ų | 123 | 29.6 Ų | 29.6 | 76% | 0.755 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -11.5 | 178.4 | 54.9 | 0 | 0 | 0 | 0 | 113.6 | S551 | S551-T553 PolarHBondContact O-N 2.98Å; S551-T553 PolarHBondContact OG-OG1 2.82Å |
| 554 | S | 64.8 | Low | 80.2 | Confident | 37 Ų | 37 | 27.6 Ų | 27.6 | 26% | 0.259 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -153.3 | 83.9 | -165.9 | -53.4 | 0 | 0 | 0 | 0 | 110.3 | S551 Q557 | S551-S554 CarbonylContact O-C 3.43Å; S551-S554 PolarHBondContact O-N 3.14Å; S551-S554 VanDerWaalsContact O-N 3.12Å; S554-Q557 VanDerWaalsContact CB-CD 3.48Å; S554-Q557 VanDerWaalsContact CB-OE1 3.28Å; S554-Q557 WeakPolarHBondContact O-CB 3.26Å; S554-Q557 PolarHBondContact O-N 3.27Å; S554-Q557 VanDerWaalsContact O-N 3.16Å |
| 555 | P | 66.3 | Low | 80.2 | Confident | 102 Ų | 102 | 30.1 Ų | 30.1 | 66% | 0.662 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 140.5 | -177.2 | 26.2 | -34.5 | 0 | 0 | 0 | 111.2 | Q557 | P555-Q557 VanDerWaalsContact C-N 3.34Š|
| 556 | G | 67.3 | Low | 79.8 | Confident | 28 Ų | 28 | 32.5 Ų | 32.5 | 29% | 0.289 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | -13.2 | -173 | 0 | 0 | 0 | 0 | 0 | 115.4 | E550 | E550-G556 PolarHBondContact OE1-N 2.94Š|
| 557 | Q | 74.6 | Confident | 79.5 | Confident | 78 Ų | 78 | 39.1 Ų | 39.1 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | trans | -85.5 | 127.9 | 167.7 | -69.2 | -178.9 | -1.1 | 0 | 0 | 110.8 | S551 S554 P555 L572 | S551-Q557 PolarHBondContact N-O 3.13Å; S554-Q557 VanDerWaalsContact CB-CD 3.48Å; S554-Q557 VanDerWaalsContact CB-OE1 3.28Å; S554-Q557 WeakPolarHBondContact O-CB 3.26Å; S554-Q557 PolarHBondContact O-N 3.27Å; S554-Q557 VanDerWaalsContact O-N 3.16Å; P555-Q557 VanDerWaalsContact C-N 3.34Å; Q557-L572 HydrophobicContact CB-CD1 3.93Å; Q557-L572 HydrophobicContact CG-CD1 4.22Å | ||
| 558 | Y | 81.1 | Confident | 79.4 | Confident | 5 Ų | 5 | 40.5 Ų | 40.5 | 2% | 0.02 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 136 | 175.1 | -62.1 | -75.3 | 0 | 0 | 0 | 110.9 | I517 K518 L521 Y527 E550 L573 V574 | I517-Y558 HydrophobicContact CG2-CD2 4.13Å; I517-Y558 HydrophobicContact CG2-CE2 3.8Å; K518-Y558 WeakPolarHBondContact CA-OH 3.41Å; K518-Y558 VanDerWaalsContact CB-OH 3.27Å; K518-Y558 WeakPolarHBondContact CB-OH 3.24Å; L521-Y558 HydrophobicContact CD1-CD1 3.43Å; L521-Y558 VanDerWaalsContact CD1-CD1 3.43Å; L521-Y558 HydrophobicContact CD1-CD2 3.94Å; L521-Y558 HydrophobicContact CD1-CE1 3.49Å; L521-Y558 VanDerWaalsContact CD1-CE1 3.49Å; L521-Y558 HydrophobicContact CD1-CE2 3.99Å; L521-Y558 HydrophobicContact CD1-CG 3.65Å; Y527-Y558 AromaticContact CE2-CD1 3.84Å; Y527-Y558 HydrophobicContact CE2-CD1 3.84Å; Y527-Y558 AromaticContact CE2-CE1 3.75Å; Y527-Y558 HydrophobicContact CE2-CE1 3.75Å; E550-Y558 HydrophobicContact CB-CD1 4.46Å; E550-Y558 HydrophobicContact CB-CE1 4.33Å; Y558-L573 WeakPolarHBondContact O-CB 3.48Å; Y558-L573 PolarHBondContact O-N 2.83Å; Y558-V574 HydrophobicContact CD2-CG2 3.92Å |
| 559 | V | 85.6 | Confident | 79.3 | Confident | 15 Ų | 15 | 42.4 Ų | 42.4 | 9% | 0.091 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 119.9 | -176.1 | -178.6 | 0 | 0 | 0 | 0 | 109.3 | R549 H570 L571 L572 | R549-V559 HydrophobicContact CG-CB 4.23Å; R549-V559 PolarHBondContact N-O 2.9Å; R549-V559 PolarHBondContact O-N 3.16Å; V559-H570 HydrophobicContact CG1-CB 3.91Å; V559-L571 CarbonylContact C-O 3.43Å; V559-L571 WeakPolarHBondContact CA-O 3.38Å; V559-L572 HydrophobicContact CG2-CD1 4.25Å |
| 560 | L | 87.9 | Confident | 79.2 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 130.7 | 166.3 | -173.6 | 62.2 | 0 | 0 | 0 | 108.4 | F546 V548 H570 L571 L573 L593 I604 L613 | F546-L560 HydrophobicContact CB-CD1 4.34Å; F546-L560 HydrophobicContact CD2-CD1 3.77Å; F546-L560 HydrophobicContact CG-CD1 4.42Å; V548-L560 HydrophobicContact CG2-CD1 3.92Å; L560-H570 CarbonylContact O-C 3.58Å; L560-H570 VanDerWaalsContact O-CA 3.32Å; L560-H570 WeakPolarHBondContact O-CA 3.37Å; L560-L571 HydrophobicContact CB-CB 4.38Å; L560-L571 PolarHBondContact N-O 2.94Å; L560-L571 PolarHBondContact O-N 2.82Å; L560-L573 HydrophobicContact CB-CD1 3.84Å; L560-L573 HydrophobicContact CB-CD2 3.92Å; L560-L573 HydrophobicContact CB-CG 3.81Å; L560-L573 HydrophobicContact CD2-CD2 4.23Å; L560-L593 HydrophobicContact CD2-CD2 4.49Å; L560-I604 HydrophobicContact CD2-CD1 3.43Å; L560-I604 VanDerWaalsContact CD2-CD1 3.43Å; L560-L613 HydrophobicContact CD1-CD2 4.43Å; L560-L613 HydrophobicContact CD2-CD1 4.1Å; L560-L613 HydrophobicContact CD2-CD2 3.96Å; L560-L613 HydrophobicContact CG-CD2 4.46Å |
| 561 | S | 87.6 | Confident | 79.2 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 122 | 177.3 | -56 | 0 | 0 | 0 | 0 | 108.3 | F546 L547 R549 K569 H570 | F546-S561 CarbonylContact C-O 3.49Å; F546-S561 VanDerWaalsContact CA-O 3.25Å; F546-S561 WeakPolarHBondContact CA-O 3.33Å; L547-S561 PolarHBondContact N-O 2.76Å; L547-S561 PolarHBondContact O-N 2.97Å; R549-S561 PolarHBondContact NE-OG 3.19Å; S561-K569 WeakPolarHBondContact CA-O 3.25Å; S561-H570 WeakPolarHBondContact CB-ND1 3.48Å; S561-H570 PolarHBondContact OG-ND1 2.84Å |
| 562 | G | 90.1 | Very high | 79.5 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 159.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113 | D545 K569 | D545-G562 CarbonylContact O-C 3.53Å; D545-G562 WeakPolarHBondContact O-CA 3.35Å; G562-K569 PolarHBondContact N-O 3.35Å; G562-K569 PolarHBondContact O-N 3.31Å |
| 563 | L | 86.5 | Confident | 79.9 | Confident | 18 Ų | 18 | 45 Ų | 45 | 9% | 0.094 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 130.3 | -178.4 | -154.6 | 76.2 | 0 | 0 | 0 | 111 | L540 K542 G544 D545 A568 | L540-L563 HydrophobicContact CB-CB 4.23Å; L540-L563 HydrophobicContact CB-CD1 4.18Å; K542-L563 WeakPolarHBondContact O-CB 3.29Å; G544-L563 PolarHBondContact N-O 3.1Å; D545-L563 PolarHBondContact O-N 2.94Å; L563-A568 HydrophobicContact CD1-CB 4.09Å |
| 564 | Q | 83.5 | Confident | 80.2 | Confident | 42 Ų | 42 | 39.4 Ų | 39.4 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 123.7 | 167.1 | -174.3 | 168.2 | -8.7 | 0 | 0 | 111.9 | D543 Q567 K569 E610 S612 | D543-Q564 VanDerWaalsContact OD1-C 3.31Å; D543-Q564 VanDerWaalsContact OD1-CA 3.26Å; D543-Q564 WeakPolarHBondContact OD1-CA 3.36Å; Q564-Q567 PolarHBondContact N-O 2.92Å; Q564-K569 HydrophobicContact CB-CD 4.38Å; Q564-E610 PolarHBondContact NE2-OE1 2.72Å; Q564-E610 PolarHBondContact OE1-O 2.94Å; Q564-S612 PolarHBondContact NE2-OG 3.39Å; Q564-S612 PolarHBondContact OE1-OG 3.39Å |
| 565 | G | 79.8 | Confident | 80.2 | Confident | 56 Ų | 56 | 40.2 Ų | 40.2 | 58% | 0.577 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | 34 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D543 Q567 | D543-G565 VanDerWaalsContact CG-N 3.27Å; D543-G565 PolarHBondContact OD1-N 3.4Å; D543-G565 PolarHBondContact OD2-N 2.82Å; G565-Q567 PolarHBondContact O-N 2.88Å; G565-Q567 VanDerWaalsContact O-N 3.15Å |
| 566 | G | 80.5 | Confident | 79.7 | Confident | 58 Ų | 58 | 41.2 Ų | 41.2 | 60% | 0.598 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.7 | 5.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | D543 | D543-G566 PolarHBondContact OD1-N 3.48Š|
| 567 | Q | 82.1 | Confident | 79.1 | Confident | 139 Ų | 139 | 47 Ų | 47 | 65% | 0.65 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 130.4 | 178.9 | -71.2 | -179 | 82.4 | 0 | 0 | 110.8 | Q564 G565 | Q564-Q567 PolarHBondContact N-O 2.92Å; G565-Q567 PolarHBondContact O-N 2.88Å; G565-Q567 VanDerWaalsContact O-N 3.15Å |
| 568 | A | 84.8 | Confident | 78.4 | Confident | 30 Ų | 30 | 44.1 Ų | 44.1 | 25% | 0.248 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 129.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | E537 L540 L563 | E537-A568 HydrophobicContact CB-CB 4.41Å; E537-A568 HydrophobicContact CG-CB 3.77Å; L540-A568 HydrophobicContact CD1-CB 4.26Å; L563-A568 HydrophobicContact CD1-CB 4.09Å |
| 569 | K | 86 | Confident | 77.5 | Confident | 40 Ų | 40 | 50.3 Ų | 50.3 | 17% | 0.174 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 141 | -174.5 | -63.2 | 175.4 | 178.7 | -155.3 | 0 | 109.1 | S561 G562 Q564 S609 E610 V611 | S561-K569 WeakPolarHBondContact CA-O 3.25Å; G562-K569 PolarHBondContact N-O 3.35Å; G562-K569 PolarHBondContact O-N 3.31Å; Q564-K569 HydrophobicContact CB-CD 4.38Å; K569-S609 WeakPolarHBondContact CD-OG 3.4Å; K569-S609 WeakPolarHBondContact CE-OG 3.38Å; K569-S609 PolarHBondContact NZ-OG 3.46Å; K569-E610 WeakPolarHBondContact CD-O 3.43Å; K569-E610 WeakPolarHBondContact CE-O 3.45Å; K569-E610 PolarHBondContact NZ-O 3.29Å; K569-V611 HydrophobicContact CB-CG2 3.68Å; K569-V611 HydrophobicContact CD-CG2 3.72Å; K569-V611 HydrophobicContact CG-CG2 4.35Å |
| 570 | H | 86 | Confident | 76.7 | Confident | 48 Ų | 48 | 49.6 Ų | 49.6 | 22% | 0.222 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 124 | -176.5 | -55.1 | -66.2 | 0 | 0 | 0 | 110.2 | R533 E537 V559 L560 S561 | R533-H570 WeakPolarHBondContact CG-NE2 3.5Å; R533-H570 PolarHBondContact NE-CD2 2.97Å; R533-H570 PolarHBondContact NE-NE2 3.05Å; E537-H570 IonicContact OE1-NE2 3.2Å; E537-H570 PolarHBondContact OE1-NE2 2.92Å; V559-H570 HydrophobicContact CG1-CB 3.91Å; L560-H570 CarbonylContact O-C 3.58Å; L560-H570 VanDerWaalsContact O-CA 3.32Å; L560-H570 WeakPolarHBondContact O-CA 3.37Å; S561-H570 WeakPolarHBondContact CB-ND1 3.48Å; S561-H570 PolarHBondContact OG-ND1 2.84Å |
| 571 | L | 82.1 | Confident | 75.6 | Confident | 21 Ų | 21 | 56.3 Ų | 56.3 | 11% | 0.11 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 127 | -178.7 | -55.5 | -179.6 | 0 | 0 | 0 | 109.2 | V559 L560 I604 V611 | V559-L571 CarbonylContact C-O 3.43Å; V559-L571 WeakPolarHBondContact CA-O 3.38Å; L560-L571 HydrophobicContact CB-CB 4.38Å; L560-L571 PolarHBondContact N-O 2.94Å; L560-L571 PolarHBondContact O-N 2.82Å; L571-I604 HydrophobicContact CD1-CB 3.96Å; L571-I604 HydrophobicContact CD1-CD1 4.48Å; L571-I604 HydrophobicContact CD1-CG2 3.53Å; L571-V611 HydrophobicContact CD1-CB 4.11Å; L571-V611 HydrophobicContact CD1-CG2 3.82Å; L571-V611 HydrophobicContact CG-CG2 4.21Å |
| 572 | L | 81.4 | Confident | 74.8 | Confident | 96 Ų | 96 | 57.6 Ų | 57.6 | 50% | 0.503 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 129.6 | 169.9 | -175.3 | 68.4 | 0 | 0 | 0 | 108.4 | Q557 V559 | Q557-L572 HydrophobicContact CB-CD1 3.93Å; Q557-L572 HydrophobicContact CG-CD1 4.22Å; V559-L572 HydrophobicContact CG2-CD1 4.25Å |
| 573 | L | 74.8 | Confident | 73.5 | Confident | 6 Ų | 6 | 64.4 Ų | 64.4 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | trans | -99.3 | -16.6 | -175.4 | -74.4 | 172.5 | 0 | 0 | 0 | 114.2 | V548 Y558 L560 V580 V590 L593 | V548-L573 HydrophobicContact CG1-CD1 3.9Å; V548-L573 HydrophobicContact CG2-CD1 4.1Å; Y558-L573 WeakPolarHBondContact O-CB 3.48Å; Y558-L573 PolarHBondContact O-N 2.83Å; L560-L573 HydrophobicContact CB-CD1 3.84Å; L560-L573 HydrophobicContact CB-CD2 3.92Å; L560-L573 HydrophobicContact CB-CG 3.81Å; L560-L573 HydrophobicContact CD2-CD2 4.23Å; L573-V580 WeakPolarHBondContact O-CA 3.44Å; L573-V590 HydrophobicContact CB-CG2 4.5Å; L573-V590 HydrophobicContact CD1-CG1 3.68Å; L573-V590 HydrophobicContact CD1-CG2 4.3Å; L573-L593 HydrophobicContact CD2-CD1 3.83Å; L573-L593 HydrophobicContact CD2-CD2 4.03Å | ||
| 574 | V | 70.9 | Confident | 72.2 | Confident | 7 Ų | 7 | 68.3 Ų | 68.3 | 4% | 0.042 | 37% | 0.37 | C | S | . | . | trans | -130.7 | 119.6 | -171.9 | 172.7 | 0 | 0 | 0 | 0 | 109.8 | Y558 K579 V580 | Y558-V574 HydrophobicContact CD2-CG2 3.92Å; V574-K579 WeakPolarHBondContact CA-O 3.35Å; V574-V580 HydrophobicContact CG2-CG2 4.08Å | ||
| 575 | D | 64.6 | Low | 71.5 | Confident | 53 Ų | 53 | 70.7 Ų | 70.7 | 28% | 0.283 | 38% | 0.381 | S | S | . | . | trans | -65.8 | 159.5 | 172.3 | -69.7 | -38 | 0 | 0 | 0 | 111.3 | E577 G578 K579 R581 | D575-E577 PolarHBondContact O-N 2.95Å; D575-E577 VanDerWaalsContact O-N 3.1Å; D575-G578 PolarHBondContact O-N 3.43Å; D575-K579 PolarHBondContact N-O 3.12Å; D575-R581 WeakPolarHBondContact OD2-CD 3.46Å; D575-R581 WeakPolarHBondContact OD2-CG 3.4Å | ||
| 576 | P | 56.6 | Low | 71.2 | Confident | 124 Ų | 124 | 72.1 Ų | 72.1 | 81% | 0.805 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -22.8 | 174.9 | 20.5 | -29.7 | 0 | 0 | 0 | 114 | G578 | P576-G578 PolarHBondContact O-N 3.18Š|
| 577 | E | 55.5 | Low | 71 | Confident | 148 Ų | 148 | 69.8 Ų | 69.8 | 69% | 0.692 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | 1.3 | 172.7 | -60.9 | 70.1 | -150.9 | 0 | 0 | 113.9 | D575 | D575-E577 PolarHBondContact O-N 2.95Å; D575-E577 VanDerWaalsContact O-N 3.1Å |
| 578 | G | 59.3 | Low | 70.3 | Confident | 18 Ų | 18 | 69 Ų | 69 | 19% | 0.186 | 35% | 0.352 | C | S | . | . | S | Bend | trans | 80.9 | 10.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | I517 D575 P576 | I517-G578 WeakPolarHBondContact CD1-O 3.48Å; D575-G578 PolarHBondContact O-N 3.43Å; P576-G578 PolarHBondContact O-N 3.18Å |
| 579 | K | 62 | Low | 69.8 | Low | 135 Ų | 135 | 69.7 Ų | 69.7 | 59% | 0.587 | 35% | 0.352 | S | S | * | . | trans | -97.5 | 155.6 | 178.5 | -67.5 | -166.9 | 175.2 | -170 | 0 | 112.5 | V574 D575 | V574-K579 WeakPolarHBondContact CA-O 3.35Å; D575-K579 PolarHBondContact N-O 3.12Å | ||
| 580 | V | 69.4 | Low | 69.4 | Low | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.006 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 111.4 | 176.6 | 179.9 | 0 | 0 | 0 | 0 | 109.4 | L573 V574 F587 V590 L593 | L573-V580 WeakPolarHBondContact O-CA 3.44Å; V574-V580 HydrophobicContact CG2-CG2 4.08Å; V580-F587 HydrophobicContact CB-CB 4.44Å; V580-F587 HydrophobicContact CG1-CB 4.14Å; V580-F587 PolarHBondContact O-N 2.74Å; V580-V590 HydrophobicContact CG1-CG2 4.45Å; V580-V590 HydrophobicContact CG2-CG2 3.67Å; V580-L593 HydrophobicContact CG1-CB 4.1Å; V580-L593 HydrophobicContact CG1-CD1 3.52Å; V580-L593 HydrophobicContact CG1-CG 4.48Å |
| 581 | R | 65.2 | Low | 68.9 | Low | 142 Ų | 142 | 66.4 Ų | 66.4 | 54% | 0.536 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 136.9 | -179.1 | -58.1 | -172.5 | 73.3 | 171.6 | -0.5 | 110.8 | D575 V586 | D575-R581 WeakPolarHBondContact OD2-CD 3.46Å; D575-R581 WeakPolarHBondContact OD2-CG 3.4Å; R581-V586 HydrophobicContact CG-CG1 4.27Å; R581-V586 HydrophobicContact CG-CG2 4.14Å |
| 582 | T | 69.4 | Low | 68.8 | Low | 27 Ų | 27 | 69.6 Ų | 69.6 | 17% | 0.166 | 36% | 0.355 | C | S | . | . | trans | -97.4 | 176.9 | 156.1 | 67.4 | 0 | 0 | 0 | 0 | 109 | D584 H585 F587 L593 I604 | T582-D584 PolarHBondContact O-N 3.14Å; T582-H585 PolarHBondContact N-O 2.86Å; T582-H585 PolarHBondContact OG1-N 3.48Å; T582-H585 PolarHBondContact OG1-O 3.29Å; T582-F587 HydrophobicContact CG2-CD2 4.37Å; T582-F587 HydrophobicContact CG2-CE2 3.85Å; T582-L593 HydrophobicContact CG2-CD1 3.6Å; T582-L593 HydrophobicContact CG2-CG 4.23Å; T582-I604 HydrophobicContact CG2-CG2 4.07Å | ||
| 583 | K | 63.1 | Low | 68.9 | Low | 144 Ų | 144 | 65.1 Ų | 65.1 | 63% | 0.626 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -54.4 | -38 | 177.8 | 178 | -177.6 | 150.9 | -69.1 | 0 | 113 | ||
| 584 | D | 60.3 | Low | 69.3 | Low | 99 Ų | 99 | 65.3 Ų | 65.3 | 53% | 0.529 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -118.2 | -15.1 | -167.5 | -56.8 | -66.1 | 0 | 0 | 0 | 113.4 | T582 | T582-D584 PolarHBondContact O-N 3.14Š|
| 585 | H | 68.4 | Low | 69.8 | Low | 92 Ų | 92 | 73 Ų | 73 | 43% | 0.426 | 36% | 0.361 | S | S | . | . | trans | -135.5 | 150.2 | 178.7 | -67.5 | -78.1 | 0 | 0 | 0 | 113 | T582 F587 | T582-H585 PolarHBondContact N-O 2.86Å; T582-H585 PolarHBondContact OG1-N 3.48Å; T582-H585 PolarHBondContact OG1-O 3.29Å; H585-F587 HydrophobicContact CB-CD2 4.43Å; H585-F587 HydrophobicContact CB-CE2 3.58Å; H585-F587 HydrophobicContact CB-CZ 3.65Å | ||
| 586 | V | 72.4 | Confident | 70.6 | Confident | 87 Ų | 87 | 73.6 Ų | 73.6 | 53% | 0.527 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 135.5 | 170.3 | -179.4 | 0 | 0 | 0 | 0 | 108.2 | R581 | R581-V586 HydrophobicContact CG-CG1 4.27Å; R581-V586 HydrophobicContact CG-CG2 4.14Å |
| 587 | F | 75.8 | Confident | 71.7 | Confident | 9 Ų | 9 | 68 Ų | 68 | 4% | 0.039 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 144 | 177.5 | -59.6 | -86.2 | 0 | 0 | 0 | 109.6 | V580 T582 H585 N589 L593 Y596 H597 | V580-F587 HydrophobicContact CB-CB 4.44Å; V580-F587 HydrophobicContact CG1-CB 4.14Å; V580-F587 PolarHBondContact O-N 2.74Å; T582-F587 HydrophobicContact CG2-CD2 4.37Å; T582-F587 HydrophobicContact CG2-CE2 3.85Å; H585-F587 HydrophobicContact CB-CD2 4.43Å; H585-F587 HydrophobicContact CB-CE2 3.58Å; H585-F587 HydrophobicContact CB-CZ 3.65Å; F587-N589 VanDerWaalsContact C-N 3.29Å; F587-N589 PolarHBondContact O-N 2.84Å; F587-L593 HydrophobicContact CB-CB 4.03Å; F587-L593 HydrophobicContact CD1-CB 4.17Å; F587-L593 HydrophobicContact CD2-CB 3.73Å; F587-L593 HydrophobicContact CD2-CD1 3.85Å; F587-L593 HydrophobicContact CD2-CG 3.89Å; F587-L593 HydrophobicContact CE2-CB 4.23Å; F587-L593 HydrophobicContact CE2-CD1 4.23Å; F587-L593 HydrophobicContact CE2-CG 4.05Å; F587-L593 HydrophobicContact CG-CB 3.69Å; F587-L593 HydrophobicContact CG-CG 4.37Å; F587-Y596 AromaticContact CE1-CD1 3.79Å; F587-Y596 HydrophobicContact CE1-CD1 3.79Å; F587-Y596 HydrophobicContact CE1-CD2 4.29Å; F587-Y596 AromaticContact CE1-CG 3.64Å; F587-Y596 HydrophobicContact CE1-CG 3.64Å; F587-Y596 AromaticContact CZ-CD1 3.69Å; F587-Y596 HydrophobicContact CZ-CD1 3.69Å; F587-Y596 HydrophobicContact CZ-CE1 4.24Å; F587-Y596 HydrophobicContact CZ-CG 4.06Å; F587-H597 AromaticContact CE2-CE1 3.78Å; F587-H597 AromaticContact CZ-CE1 3.57Å |
| 588 | D | 67.9 | Low | 72.9 | Confident | 123 Ų | 123 | 63.7 Ų | 63.7 | 66% | 0.658 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -69.7 | -33.4 | 179.3 | -38.2 | -85.5 | 0 | 0 | 0 | 111.1 | H592 | D588-H592 IonicContact OD2-CE1 3.97Å; D588-H592 IonicContact OD2-ND1 3.1Å; D588-H592 PolarHBondContact OD2-ND1 3.02Å |
| 589 | N | 74.3 | Confident | 74 | Confident | 44 Ų | 44 | 68.4 Ų | 68.4 | 24% | 0.235 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -144.8 | 154 | -170.6 | -68.1 | -53 | 0 | 0 | 0 | 111.9 | Q520 F587 H592 L593 | Q520-N589 VanDerWaalsContact NE2-CG 3.3Å; Q520-N589 PolarHBondContact NE2-ND2 2.85Å; Q520-N589 VanDerWaalsContact OE1-CG 3.25Å; Q520-N589 PolarHBondContact OE1-OD1 3.38Å; F587-N589 VanDerWaalsContact C-N 3.29Å; F587-N589 PolarHBondContact O-N 2.84Å; N589-H592 HydrophobicContact CB-CB 4.34Å; N589-H592 WeakPolarHBondContact O-CB 3.21Å; N589-H592 PolarHBondContact O-N 2.91Å; N589-H592 VanDerWaalsContact O-N 3.1Å; N589-L593 PolarHBondContact O-N 3.43Å; N589-L593 VanDerWaalsContact O-N 3.15Å |
| 590 | V | 77.4 | Confident | 74.8 | Confident | 3 Ų | 3 | 66.3 Ų | 66.3 | 2% | 0.018 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.1 | -45.5 | 177.9 | 177.3 | 0 | 0 | 0 | 0 | 111.9 | L521 V548 L573 V580 H592 L593 I594 | L521-V590 HydrophobicContact CD1-CG2 4.35Å; L521-V590 HydrophobicContact CD2-CB 3.8Å; L521-V590 HydrophobicContact CD2-CG1 3.74Å; L521-V590 HydrophobicContact CD2-CG2 4.32Å; L521-V590 HydrophobicContact CG-CB 4.39Å; V548-V590 HydrophobicContact CG2-CG1 4.24Å; L573-V590 HydrophobicContact CB-CG2 4.5Å; L573-V590 HydrophobicContact CD1-CG1 3.68Å; L573-V590 HydrophobicContact CD1-CG2 4.3Å; V580-V590 HydrophobicContact CG1-CG2 4.45Å; V580-V590 HydrophobicContact CG2-CG2 3.67Å; V590-H592 PolarHBondContact O-N 3.3Å; V590-L593 WeakPolarHBondContact O-CA 3.35Å; V590-L593 WeakPolarHBondContact O-CB 3Å; V590-L593 PolarHBondContact O-N 3.1Å; V590-L593 VanDerWaalsContact O-N 3.08Å; V590-I594 HydrophobicContact CG1-CD1 3.71Å; V590-I594 HydrophobicContact CG1-CG1 4.25Å; V590-I594 WeakPolarHBondContact O-CG1 3.31Å; V590-I594 PolarHBondContact O-N 3.28Å |
| 591 | G | 76.9 | Confident | 75.2 | Confident | 15 Ų | 15 | 70.9 Ų | 70.9 | 16% | 0.155 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.1 | -24.8 | 174 | 0 | 0 | 0 | 0 | 0 | 114.7 | E524 R595 | E524-G591 WeakPolarHBondContact OE1-CA 3.35Å; E524-G591 PolarHBondContact OE1-N 3.4Å; G591-R595 VanDerWaalsContact O-CB 3.23Å; G591-R595 WeakPolarHBondContact O-CB 3.38Å; G591-R595 PolarHBondContact O-N 3.05Å |
| 592 | H | 79.5 | Confident | 76 | Confident | 89 Ų | 89 | 67.5 Ų | 67.5 | 41% | 0.412 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -71.6 | -46.5 | 171.9 | -172.1 | -172.6 | 0 | 0 | 0 | 110.1 | D588 N589 V590 I594 Y596 | D588-H592 IonicContact OD2-CE1 3.97Å; D588-H592 IonicContact OD2-ND1 3.1Å; D588-H592 PolarHBondContact OD2-ND1 3.02Å; N589-H592 HydrophobicContact CB-CB 4.34Å; N589-H592 WeakPolarHBondContact O-CB 3.21Å; N589-H592 PolarHBondContact O-N 2.91Å; N589-H592 VanDerWaalsContact O-N 3.1Å; V590-H592 PolarHBondContact O-N 3.3Å; H592-I594 VanDerWaalsContact C-N 3.35Å; H592-I594 PolarHBondContact O-N 3Å; H592-Y596 VanDerWaalsContact O-CB 3.24Å; H592-Y596 WeakPolarHBondContact O-CB 3.49Å; H592-Y596 PolarHBondContact O-N 3.15Å |
| 593 | L | 83.3 | Confident | 76.5 | Confident | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -56.1 | -47.4 | 172.4 | 178.3 | 158.9 | 0 | 0 | 0 | 111.6 | L560 L573 V580 T582 F587 N589 V590 H597 I604 | L560-L593 HydrophobicContact CD2-CD2 4.49Å; L573-L593 HydrophobicContact CD2-CD1 3.83Å; L573-L593 HydrophobicContact CD2-CD2 4.03Å; V580-L593 HydrophobicContact CG1-CB 4.1Å; V580-L593 HydrophobicContact CG1-CD1 3.52Å; V580-L593 HydrophobicContact CG1-CG 4.48Å; T582-L593 HydrophobicContact CG2-CD1 3.6Å; T582-L593 HydrophobicContact CG2-CG 4.23Å; F587-L593 HydrophobicContact CB-CB 4.03Å; F587-L593 HydrophobicContact CD1-CB 4.17Å; F587-L593 HydrophobicContact CD2-CB 3.73Å; F587-L593 HydrophobicContact CD2-CD1 3.85Å; F587-L593 HydrophobicContact CD2-CG 3.89Å; F587-L593 HydrophobicContact CE2-CB 4.23Å; F587-L593 HydrophobicContact CE2-CD1 4.23Å; F587-L593 HydrophobicContact CE2-CG 4.05Å; F587-L593 HydrophobicContact CG-CB 3.69Å; F587-L593 HydrophobicContact CG-CG 4.37Å; N589-L593 PolarHBondContact O-N 3.43Å; N589-L593 VanDerWaalsContact O-N 3.15Å; V590-L593 WeakPolarHBondContact O-CA 3.35Å; V590-L593 WeakPolarHBondContact O-CB 3Å; V590-L593 PolarHBondContact O-N 3.1Å; V590-L593 VanDerWaalsContact O-N 3.08Å; L593-H597 PolarHBondContact O-N 3.37Å; L593-H597 PolarHBondContact O-ND1 2.81Å; L593-I604 HydrophobicContact CD2-CD1 3.82Å |
| 594 | I | 82.2 | Confident | 77.3 | Confident | 11 Ų | 11 | 61.7 Ų | 61.7 | 6% | 0.056 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.3 | -51.4 | -177.8 | -68.7 | 170.5 | 0 | 0 | 0 | 110.8 | F546 V548 V590 H592 Y596 H597 M598 L613 | F546-I594 HydrophobicContact CE2-CD1 4.23Å; F546-I594 HydrophobicContact CE2-CG1 4.43Å; F546-I594 HydrophobicContact CE2-CG2 3.66Å; F546-I594 HydrophobicContact CZ-CG2 3.59Å; V548-I594 HydrophobicContact CG2-CD1 3.67Å; V590-I594 HydrophobicContact CG1-CD1 3.71Å; V590-I594 HydrophobicContact CG1-CG1 4.25Å; V590-I594 WeakPolarHBondContact O-CG1 3.31Å; V590-I594 PolarHBondContact O-N 3.28Å; H592-I594 VanDerWaalsContact C-N 3.35Å; H592-I594 PolarHBondContact O-N 3Å; I594-Y596 VanDerWaalsContact C-N 3.33Å; I594-Y596 PolarHBondContact O-N 3.1Å; I594-H597 PolarHBondContact O-N 3.2Å; I594-M598 HydrophobicContact CG2-CG 4.36Å; I594-M598 HydrophobicContact CG2-SD 3.78Å; I594-M598 WeakPolarHBondContact O-CB 3.23Å; I594-M598 WeakPolarHBondContact O-CG 3.1Å; I594-M598 PolarHBondContact O-N 3.38Å; I594-L613 HydrophobicContact CB-CD1 4.49Å; I594-L613 HydrophobicContact CG1-CD1 4.26Å; I594-L613 HydrophobicContact CG2-CD1 4.4Å |
| 595 | R | 81.8 | Confident | 78 | Confident | 168 Ų | 168 | 60.9 Ų | 60.9 | 63% | 0.634 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -57.9 | -45.4 | 177.9 | 178.8 | 170.7 | -76.7 | 127.1 | 0.1 | 111.6 | G591 H597 M598 D599 | G591-R595 VanDerWaalsContact O-CB 3.23Å; G591-R595 WeakPolarHBondContact O-CB 3.38Å; G591-R595 PolarHBondContact O-N 3.05Å; R595-H597 PolarHBondContact O-N 3.08Å; R595-M598 PolarHBondContact O-N 3.21Å; R595-D599 WeakPolarHBondContact CG-OD2 3.45Å; R595-D599 VanDerWaalsContact O-CB 3.31Å; R595-D599 WeakPolarHBondContact O-CB 3.38Å; R595-D599 VanDerWaalsContact O-CG 3.23Å; R595-D599 PolarHBondContact O-N 2.96Å |
| 596 | Y | 81.8 | Confident | 78 | Confident | 66 Ų | 66 | 58.9 Ų | 58.9 | 26% | 0.259 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -57.7 | -45.4 | 179.6 | 179.7 | -92.7 | 0 | 0 | 0 | 112.8 | F587 H592 I594 N600 L602 | F587-Y596 AromaticContact CE1-CD1 3.79Å; F587-Y596 HydrophobicContact CE1-CD1 3.79Å; F587-Y596 HydrophobicContact CE1-CD2 4.29Å; F587-Y596 AromaticContact CE1-CG 3.64Å; F587-Y596 HydrophobicContact CE1-CG 3.64Å; F587-Y596 AromaticContact CZ-CD1 3.69Å; F587-Y596 HydrophobicContact CZ-CD1 3.69Å; F587-Y596 HydrophobicContact CZ-CE1 4.24Å; F587-Y596 HydrophobicContact CZ-CG 4.06Å; H592-Y596 VanDerWaalsContact O-CB 3.24Å; H592-Y596 WeakPolarHBondContact O-CB 3.49Å; H592-Y596 PolarHBondContact O-N 3.15Å; I594-Y596 VanDerWaalsContact C-N 3.33Å; I594-Y596 PolarHBondContact O-N 3.1Å; Y596-N600 WeakPolarHBondContact O-CB 3.14Å; Y596-N600 PolarHBondContact O-N 3.03Å; Y596-N600 PolarHBondContact O-ND2 2.99Å; Y596-L602 HydrophobicContact CE1-CD1 3.89Å |
| 597 | H | 80.4 | Confident | 77.2 | Confident | 7 Ų | 7 | 60.8 Ų | 60.8 | 3% | 0.032 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -76.1 | -31.3 | -179.3 | -67.7 | 89.4 | 0 | 0 | 0 | 112.7 | F587 L593 I594 R595 S601 L602 I604 L613 | F587-H597 AromaticContact CE2-CE1 3.78Å; F587-H597 AromaticContact CZ-CE1 3.57Å; L593-H597 PolarHBondContact O-N 3.37Å; L593-H597 PolarHBondContact O-ND1 2.81Å; I594-H597 PolarHBondContact O-N 3.2Å; R595-H597 PolarHBondContact O-N 3.08Å; H597-S601 CarbonylContact O-C 3.56Å; H597-S601 VanDerWaalsContact O-CA 3.26Å; H597-S601 WeakPolarHBondContact O-CA 3.48Å; H597-S601 PolarHBondContact O-N 2.89Å; H597-S601 VanDerWaalsContact O-N 3.14Å; H597-L602 WeakPolarHBondContact CB-O 3.44Å; H597-L602 PolarHBondContact CD2-O 3.29Å; H597-L602 PolarHBondContact O-N 3.4Å; H597-I604 HydrophobicContact CB-CG1 4.31Å; H597-I604 VanDerWaalsContact CD2-CG1 3.42Å; H597-I604 WeakPolarHBondContact CD2-CG1 3.31Å; H597-L613 HydrophobicContact CB-CD1 4.22Å; H597-L613 HydrophobicContact CB-CG 4.39Å |
| 598 | M | 81 | Confident | 76.5 | Confident | 57 Ų | 57 | 64.2 Ų | 64.2 | 28% | 0.281 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68.7 | -55 | 172.6 | -72.9 | -177.7 | 68.2 | 0 | 0 | 112.2 | F546 I594 R595 N600 S601 L613 | F546-M598 HydrophobicContact CE1-CE 4.45Å; F546-M598 HydrophobicContact CE1-CG 4.23Å; F546-M598 HydrophobicContact CE1-SD 3.75Å; F546-M598 HydrophobicContact CZ-CG 4.35Å; F546-M598 HydrophobicContact CZ-SD 3.53Å; F546-M598 VanDerWaalsContact CZ-SD 3.53Å; I594-M598 HydrophobicContact CG2-CG 4.36Å; I594-M598 HydrophobicContact CG2-SD 3.78Å; I594-M598 WeakPolarHBondContact O-CB 3.23Å; I594-M598 WeakPolarHBondContact O-CG 3.1Å; I594-M598 PolarHBondContact O-N 3.38Å; R595-M598 PolarHBondContact O-N 3.21Å; M598-N600 VanDerWaalsContact C-N 3.34Å; M598-N600 PolarHBondContact O-N 2.99Å; M598-S601 PolarHBondContact O-N 2.91Å; M598-L613 HydrophobicContact CG-CB 3.96Å |
| 599 | D | 81.6 | Confident | 76.3 | Confident | 117 Ų | 117 | 60.4 Ų | 60.4 | 63% | 0.626 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -63.9 | -39.3 | -172.6 | -67 | -1 | 0 | 0 | 0 | 111.5 | R595 S601 | R595-D599 WeakPolarHBondContact CG-OD2 3.45Å; R595-D599 VanDerWaalsContact O-CB 3.31Å; R595-D599 WeakPolarHBondContact O-CB 3.38Å; R595-D599 VanDerWaalsContact O-CG 3.23Å; R595-D599 PolarHBondContact O-N 2.96Å; D599-S601 VanDerWaalsContact C-N 3.34Å |
| 600 | N | 78.5 | Confident | 76.5 | Confident | 91 Ų | 91 | 62.1 Ų | 62.1 | 49% | 0.487 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -3.2 | 175.1 | -61.2 | -81.8 | 0 | 0 | 0 | 113.2 | Y596 M598 L602 | Y596-N600 WeakPolarHBondContact O-CB 3.14Å; Y596-N600 PolarHBondContact O-N 3.03Å; Y596-N600 PolarHBondContact O-ND2 2.99Å; M598-N600 VanDerWaalsContact C-N 3.34Å; M598-N600 PolarHBondContact O-N 2.99Å; N600-L602 HydrophobicContact CB-CB 4.41Å; N600-L602 HydrophobicContact CB-CD1 3.71Å; N600-L602 HydrophobicContact CB-CG 3.72Å; N600-L602 PolarHBondContact O-N 3.06Å; N600-L602 VanDerWaalsContact O-N 3.13Å |
| 601 | S | 78.1 | Confident | 76.8 | Confident | 97 Ų | 97 | 62.1 Ų | 62.1 | 68% | 0.678 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 28.9 | -171.3 | -65.3 | 0 | 0 | 0 | 0 | 114.4 | H597 M598 D599 | H597-S601 CarbonylContact O-C 3.56Å; H597-S601 VanDerWaalsContact O-CA 3.26Å; H597-S601 WeakPolarHBondContact O-CA 3.48Å; H597-S601 PolarHBondContact O-N 2.89Å; H597-S601 VanDerWaalsContact O-N 3.14Å; M598-S601 PolarHBondContact O-N 2.91Å; D599-S601 VanDerWaalsContact C-N 3.34Å |
| 602 | L | 81.3 | Confident | 77.1 | Confident | 71 Ų | 71 | 62.3 Ų | 62.3 | 37% | 0.372 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -84.2 | 137.1 | -176.8 | -72.6 | 173.2 | 0 | 0 | 0 | 111.3 | Y596 H597 N600 | Y596-L602 HydrophobicContact CE1-CD1 3.89Å; H597-L602 WeakPolarHBondContact CB-O 3.44Å; H597-L602 PolarHBondContact CD2-O 3.29Å; H597-L602 PolarHBondContact O-N 3.4Å; N600-L602 HydrophobicContact CB-CB 4.41Å; N600-L602 HydrophobicContact CB-CD1 3.71Å; N600-L602 HydrophobicContact CB-CG 3.72Å; N600-L602 PolarHBondContact O-N 3.06Å; N600-L602 VanDerWaalsContact O-N 3.13Å |
| 603 | P | 80.3 | Confident | 77.3 | Confident | 39 Ų | 39 | 58.3 Ų | 58.3 | 25% | 0.253 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 142.9 | 173 | 29.2 | -32.1 | 0 | 0 | 0 | 112.7 | I605 E610 | P603-I605 PolarHBondContact O-N 3.4Å; P603-E610 HydrophobicContact CB-CG 3.24Å; P603-E610 HydrophobicContact CG-CG 3.9Å |
| 604 | I | 80.3 | Confident | 77.2 | Confident | 9 Ų | 9 | 64.9 Ų | 64.9 | 5% | 0.046 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 117.8 | 165.7 | -55.2 | 165.1 | 0 | 0 | 0 | 107.9 | L560 L571 T582 L593 H597 V611 L613 | L560-I604 HydrophobicContact CD2-CD1 3.43Å; L560-I604 VanDerWaalsContact CD2-CD1 3.43Å; L571-I604 HydrophobicContact CD1-CB 3.96Å; L571-I604 HydrophobicContact CD1-CD1 4.48Å; L571-I604 HydrophobicContact CD1-CG2 3.53Å; T582-I604 HydrophobicContact CG2-CG2 4.07Å; L593-I604 HydrophobicContact CD2-CD1 3.82Å; H597-I604 HydrophobicContact CB-CG1 4.31Å; H597-I604 VanDerWaalsContact CD2-CG1 3.42Å; H597-I604 WeakPolarHBondContact CD2-CG1 3.31Å; I604-V611 PolarHBondContact N-O 3.41Å; I604-V611 PolarHBondContact O-N 2.82Å; I604-L613 HydrophobicContact CD1-CD1 3.84Å; I604-L613 HydrophobicContact CD1-CD2 4.28Å; I604-L613 HydrophobicContact CD1-CG 4.02Å |
| 605 | I | 75.9 | Confident | 77.2 | Confident | 82 Ų | 82 | 69 Ų | 69 | 42% | 0.421 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 120.8 | -179.4 | -56.9 | 174.6 | 0 | 0 | 0 | 109.7 | P603 | P603-I605 PolarHBondContact O-N 3.4Å |
| 606 | S | 67.8 | Low | 77.3 | Confident | 50 Ų | 50 | 63 Ų | 63 | 35% | 0.35 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 119.8 | 175.9 | -172.8 | 0 | 0 | 0 | 0 | 111.1 | G608 S609 | S606-G608 VanDerWaalsContact C-N 3.27Å; S606-G608 PolarHBondContact O-N 3.46Å; S606-G608 VanDerWaalsContact O-N 3.14Å; S606-S609 PolarHBondContact N-O 2.89Å; S606-S609 WeakPolarHBondContact O-CA 3.42Å; S606-S609 WeakPolarHBondContact O-CB 3.27Å; S606-S609 PolarHBondContact O-N 3.4Å |
| 607 | S | 55.5 | Low | 77.4 | Confident | 128 Ų | 128 | 60.3 Ų | 60.3 | 90% | 0.895 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.4 | 41.8 | 177.4 | -59.8 | 0 | 0 | 0 | 0 | 115.2 | S609 | S607-S609 VanDerWaalsContact C-N 3.27Å; S607-S609 PolarHBondContact O-N 3.27Å |
| 608 | G | 60.1 | Low | 77.2 | Confident | 80 Ų | 80 | 66.3 Ų | 66.3 | 83% | 0.825 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | -0.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115 | S606 | S606-G608 VanDerWaalsContact C-N 3.27Å; S606-G608 PolarHBondContact O-N 3.46Å; S606-G608 VanDerWaalsContact O-N 3.14Å |
| 609 | S | 63.6 | Low | 76.6 | Confident | 44 Ų | 44 | 69.6 Ų | 69.6 | 31% | 0.308 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 121.2 | 174 | -160.8 | 0 | 0 | 0 | 0 | 110.9 | K569 S606 S607 | K569-S609 WeakPolarHBondContact CD-OG 3.4Å; K569-S609 WeakPolarHBondContact CE-OG 3.38Å; K569-S609 PolarHBondContact NZ-OG 3.46Å; S606-S609 PolarHBondContact N-O 2.89Å; S606-S609 WeakPolarHBondContact O-CA 3.42Å; S606-S609 WeakPolarHBondContact O-CB 3.27Å; S606-S609 PolarHBondContact O-N 3.4Å; S607-S609 VanDerWaalsContact C-N 3.27Å; S607-S609 PolarHBondContact O-N 3.27Å |
| 610 | E | 80 | Confident | 75.5 | Confident | 80 Ų | 80 | 70.6 Ų | 70.6 | 37% | 0.374 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 141 | 178.5 | -161.3 | -171.3 | 119.7 | 0 | 0 | 112 | Q564 K569 P603 | Q564-E610 PolarHBondContact NE2-OE1 2.72Å; Q564-E610 PolarHBondContact OE1-O 2.94Å; K569-E610 WeakPolarHBondContact CD-O 3.43Å; K569-E610 WeakPolarHBondContact CE-O 3.45Å; K569-E610 PolarHBondContact NZ-O 3.29Å; P603-E610 HydrophobicContact CB-CG 3.24Å; P603-E610 HydrophobicContact CG-CG 3.9Å |
| 611 | V | 82.5 | Confident | 74.1 | Confident | 2 Ų | 2 | 71.8 Ų | 71.8 | 1% | 0.012 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 100.1 | 171.2 | -173 | 0 | 0 | 0 | 0 | 110.6 | K569 L571 I604 L613 | K569-V611 HydrophobicContact CB-CG2 3.68Å; K569-V611 HydrophobicContact CD-CG2 3.72Å; K569-V611 HydrophobicContact CG-CG2 4.35Å; L571-V611 HydrophobicContact CD1-CB 4.11Å; L571-V611 HydrophobicContact CD1-CG2 3.82Å; L571-V611 HydrophobicContact CG-CG2 4.21Å; I604-V611 PolarHBondContact N-O 3.41Å; I604-V611 PolarHBondContact O-N 2.82Å; V611-L613 HydrophobicContact CG1-CD2 3.99Å |
| 612 | S | 83.1 | Confident | 72.3 | Confident | 20 Ų | 20 | 70.5 Ų | 70.5 | 14% | 0.14 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 129.2 | 169.9 | -28.9 | 0 | 0 | 0 | 0 | 111.1 | Q564 | Q564-S612 PolarHBondContact NE2-OG 3.39Å; Q564-S612 PolarHBondContact OE1-OG 3.39Å |
| 613 | L | 83.9 | Confident | 70.5 | Confident | 4 Ų | 4 | 72.1 Ų | 72.1 | 2% | 0.021 | 41% | 0.405 | C | S | . | . | trans | -94.6 | 120.5 | 173.6 | -53.9 | -170.3 | 0 | 0 | 0 | 110.2 | F546 L560 I594 H597 M598 I604 V611 | F546-L613 HydrophobicContact CB-CD2 3.79Å; F546-L613 HydrophobicContact CD1-CB 3.83Å; F546-L613 HydrophobicContact CD1-CD2 4Å; F546-L613 HydrophobicContact CD1-CG 4.36Å; F546-L613 HydrophobicContact CD2-CD2 4.35Å; F546-L613 HydrophobicContact CE1-CB 3.88Å; F546-L613 HydrophobicContact CG-CB 4.42Å; F546-L613 HydrophobicContact CG-CD2 3.78Å; F546-L613 HydrophobicContact CG-CG 4.48Å; L560-L613 HydrophobicContact CD1-CD2 4.43Å; L560-L613 HydrophobicContact CD2-CD1 4.1Å; L560-L613 HydrophobicContact CD2-CD2 3.96Å; L560-L613 HydrophobicContact CG-CD2 4.46Å; I594-L613 HydrophobicContact CB-CD1 4.49Å; I594-L613 HydrophobicContact CG1-CD1 4.26Å; I594-L613 HydrophobicContact CG2-CD1 4.4Å; H597-L613 HydrophobicContact CB-CD1 4.22Å; H597-L613 HydrophobicContact CB-CG 4.39Å; M598-L613 HydrophobicContact CG-CB 3.96Å; I604-L613 HydrophobicContact CD1-CD1 3.84Å; I604-L613 HydrophobicContact CD1-CD2 4.28Å; I604-L613 HydrophobicContact CD1-CG 4.02Å; V611-L613 HydrophobicContact CG1-CD2 3.99Å | ||
| 614 | K | 81.6 | Confident | 68.7 | Low | 140 Ų | 140 | 74 Ų | 74 | 61% | 0.609 | 42% | 0.424 | S | S | * | . | trans | -127 | -44.6 | -179.3 | -59.3 | -177 | -178.5 | 173.6 | 0 | 113.3 | G544 | G544-K614 PolarHBondContact O-N 3.22Š| ||
| 615 | Q | 81.7 | Confident | 66.9 | Low | 97 Ų | 97 | 79.7 Ų | 79.7 | 45% | 0.453 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 118.3 | -174.7 | -163.7 | -173.4 | -80 | 0 | 0 | 111.2 | G544 D545 F546 V617 | G544-Q615 PolarHBondContact O-N 3.26Å; D545-Q615 CarbonylContact C-O 3.56Å; D545-Q615 WeakPolarHBondContact CA-O 3.35Å; D545-Q615 PolarHBondContact OD1-NE2 2.96Å; D545-Q615 VanDerWaalsContact OD1-NE2 3.1Å; F546-Q615 VanDerWaalsContact CD1-O 3.29Å; F546-Q615 WeakPolarHBondContact CD1-O 3.22Å; F546-Q615 VanDerWaalsContact CE1-C 3.49Å; F546-Q615 PolarHBondContact N-O 3.06Å; Q615-V617 PolarHBondContact O-N 2.94Å |
| 616 | P | 84.3 | Confident | 65.1 | Low | 41 Ų | 41 | 83.1 Ų | 83.1 | 27% | 0.266 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 124.8 | 172.4 | 27.8 | -32.2 | 0 | 0 | 0 | 110.1 | C526 F546 R618 | C526-P616 HydrophobicContact CB-CB 3.72Å; F546-P616 HydrophobicContact CE1-CB 4.21Å; F546-P616 HydrophobicContact CE2-CB 4.24Å; F546-P616 HydrophobicContact CZ-CB 3.79Å; P616-R618 PolarHBondContact O-N 3.18Å |
| 617 | V | 83.1 | Confident | 63.7 | Low | 11 Ų | 11 | 89.1 Ų | 89.1 | 7% | 0.067 | 49% | 0.494 | C | S | . | . | trans | -75.9 | 111.7 | 172 | -179.7 | 0 | 0 | 0 | 0 | 108.4 | H528 L539 L540 D545 F546 L547 Q615 | H528-V617 PolarHBondContact NE2-O 2.84Å; L539-V617 HydrophobicContact CB-CG1 4.25Å; L540-V617 HydrophobicContact CD2-CG2 4.16Å; D545-V617 HydrophobicContact CB-CG2 3.79Å; F546-V617 PolarHBondContact O-N 3.28Å; L547-V617 HydrophobicContact CB-CB 4.35Å; L547-V617 HydrophobicContact CD2-CB 4.46Å; Q615-V617 PolarHBondContact O-N 2.94Å | ||
| 618 | R | 77.7 | Confident | 62.7 | Low | 133 Ų | 133 | 87.7 Ų | 87.7 | 50% | 0.502 | 48% | 0.484 | S | S | . | . | trans | -67.6 | 137.9 | -179.7 | -71.2 | -177.6 | 163.9 | 173.2 | -11.4 | 112.1 | E525 P616 D620 N621 | E525-R618 HydrophobicContact CB-CG 4.39Å; E525-R618 IonicContact OE1-CZ 3.31Å; E525-R618 IonicContact OE1-NE 3.89Å; E525-R618 IonicContact OE1-NH2 2.8Å; E525-R618 PolarHBondContact OE1-NH2 3.07Å; E525-R618 IonicContact OE2-CZ 2.68Å; E525-R618 IonicContact OE2-NE 2.98Å; E525-R618 PolarHBondContact OE2-NE 3.39Å; E525-R618 IonicContact OE2-NH2 2.88Å; E525-R618 PolarHBondContact OE2-NH2 2.82Å; P616-R618 PolarHBondContact O-N 3.18Å; R618-D620 PolarHBondContact O-N 3.42Å; R618-N621 PolarHBondContact O-N 3.24Å | ||
| 619 | K | 68.3 | Low | 61.6 | Low | 125 Ų | 125 | 91.8 Ų | 91.8 | 54% | 0.543 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -30.8 | 178 | -175.6 | -175.9 | 172.2 | -166.5 | 0 | 114.4 | E525 N621 | E525-K619 PolarHBondContact O-N 3.12Å; K619-N621 VanDerWaalsContact C-N 3.3Å; K619-N621 PolarHBondContact O-N 2.93Å |
| 620 | D | 58.3 | Low | 60.3 | Low | 138 Ų | 138 | 103 Ų | 103 | 74% | 0.738 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -10.7 | -171.9 | -50.3 | -54.4 | 0 | 0 | 0 | 114.1 | R618 N622 | R618-D620 PolarHBondContact O-N 3.42Å; D620-N622 PolarHBondContact O-N 3.07Å |
| 621 | N | 48.2 | Very low | 59.3 | Low | 116 Ų | 116 | 104.2 Ų | 104.2 | 62% | 0.62 | 54% | 0.538 | S | S | * | . | trans | -78.2 | 51.9 | 175.5 | -77.6 | -13.7 | 0 | 0 | 0 | 112.4 | R618 K619 P623 | R618-N621 PolarHBondContact O-N 3.24Å; K619-N621 VanDerWaalsContact C-N 3.3Å; K619-N621 PolarHBondContact O-N 2.93Å; N621-P623 VanDerWaalsContact O-CD 3.31Å; N621-P623 WeakPolarHBondContact O-CD 3.09Å | ||
| 622 | N | 42 | Very low | 58.1 | Low | 71 Ų | 71 | 109.6 Ų | 109.6 | 38% | 0.38 | 57% | 0.566 | S | S | . | * | trans | -114.9 | 83.6 | 176.9 | -169 | -7.4 | 0 | 0 | 0 | 111.8 | D620 A624 L625 | D620-N622 PolarHBondContact O-N 3.07Å; N622-A624 PolarHBondContact O-N 3.07Å; N622-A624 VanDerWaalsContact O-N 3.07Å; N622-A624 WeakPolarHBondContact OD1-CB 3.49Å; N622-A624 PolarHBondContact OD1-N 2.88Å; N622-L625 PolarHBondContact O-N 3.47Å | ||
| 623 | P | 43.5 | Very low | 56.7 | Low | 105 Ų | 105 | 114.6 Ų | 114.6 | 68% | 0.682 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -65.1 | -11.3 | -179.1 | 27 | -35 | 0 | 0 | 0 | 114 | N621 L625 | N621-P623 VanDerWaalsContact O-CD 3.31Å; N621-P623 WeakPolarHBondContact O-CD 3.09Å; P623-L625 VanDerWaalsContact C-N 3.33Å; P623-L625 PolarHBondContact O-N 3.39Å |
| 624 | A | 41.8 | Very low | 55.1 | Low | 79 Ų | 79 | 121.1 Ų | 121.1 | 65% | 0.653 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -78.1 | -10.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | N622 | N622-A624 PolarHBondContact O-N 3.07Å; N622-A624 VanDerWaalsContact O-N 3.07Å; N622-A624 WeakPolarHBondContact OD1-CB 3.49Å; N622-A624 PolarHBondContact OD1-N 2.88Å |
| 625 | L | 42.5 | Very low | 53.4 | Low | 128 Ų | 128 | 119.9 Ų | 119.9 | 67% | 0.67 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -96 | -3.5 | -177 | -77 | 174 | 0 | 0 | 0 | 115.4 | N622 P623 | N622-L625 PolarHBondContact O-N 3.47Å; P623-L625 VanDerWaalsContact C-N 3.33Å; P623-L625 PolarHBondContact O-N 3.39Å |
| 626 | L | 37.1 | Very low | 51.5 | Low | 153 Ų | 153 | 121.4 Ų | 121.4 | 80% | 0.801 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -84.2 | -8.8 | 175.7 | -74.5 | 170.9 | 0 | 0 | 0 | 114.1 | ||
| 627 | H | 39.4 | Very low | 49.2 | Very low | 177 Ų | 177 | 127.1 Ų | 127.1 | 82% | 0.819 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -107.6 | 44.1 | -179.8 | -71.2 | -62.4 | 0 | 0 | 0 | 113.5 | ||
| 628 | S | 34.7 | Very low | 46.6 | Very low | 98 Ų | 98 | 136.1 Ų | 136.1 | 69% | 0.685 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -147.4 | 41.5 | 170.2 | -172.7 | 0 | 0 | 0 | 0 | 113.1 | ||
| 629 | N | 37.3 | Very low | 44 | Very low | 165 Ų | 165 | 136.3 Ų | 136.3 | 88% | 0.882 | 73% | 0.725 | S | S | * | * | trans | -151.1 | 76.4 | 168.4 | -93.7 | -44.9 | 0 | 0 | 0 | 110.6 | ||||
| 630 | K | 34.8 | Very low | 41.8 | Very low | 281 Ų | 281 | 137.4 Ų | 137.4 | 100% | 1.222 | 74% | 0.741 | S | S | * | * | trans | -157.8 | 0 | 160.7 | -154.2 | 172.6 | -173.5 | 178.6 | 0 | 110.8 |
Retrieved 630 of 630 residues in 358 ms
(Link to these results)