| 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 | 35.7 | Very low | 37 | Very low | 247 Ų | 247 | 148.7 Ų | 148.7 | 100% | 1.217 | 81% | 0.806 | S | S | * | * | 0 | 140 | 0 | -67.9 | 163.6 | 89.2 | 0 | 0 | 107.2 | |||||
| 2 | N | 38 | Very low | 36.6 | Very low | 139 Ų | 139 | 147.3 Ų | 147.3 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | trans | -113.8 | 160.3 | 169.9 | -99.2 | -23.9 | 0 | 0 | 0 | 106.8 | ||||
| 3 | P | 56.7 | Low | 36.1 | Very low | 120 Ų | 120 | 148 Ų | 148 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | cis | -123.6 | 167.7 | 42.1 | 19.2 | 5.3 | 0 | 0 | 0 | 114.1 | ||||
| 4 | L | 44.6 | Very low | 35.6 | Very low | 118 Ų | 118 | 148.8 Ų | 148.8 | 62% | 0.618 | 79% | 0.788 | S | S | * | * | cis | 96.8 | 124.9 | 29.1 | -88.2 | 162.5 | 0 | 0 | 0 | 116.6 | ||||
| 5 | F | 33.5 | Very low | 35.1 | Very low | 191 Ų | 191 | 148.8 Ų | 148.8 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | 78.2 | 130.3 | 165.1 | -67.9 | -70.1 | 0 | 0 | 0 | 121.8 | ||||
| 6 | G | 31.4 | Very low | 35.1 | Very low | 68 Ų | 68 | 150.6 Ų | 150.6 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | -86 | -157.6 | 159.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 7 | P | 49.2 | Very low | 34.8 | Very low | 126 Ų | 126 | 151.9 Ų | 151.9 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | -147.4 | 161.3 | 52.5 | 40.4 | -21.1 | 0 | 0 | 0 | 118.4 | |||||
| 8 | N | 29.3 | Very low | 34.5 | Very low | 147 Ų | 147 | 147.3 Ų | 147.3 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | trans | 17.9 | 144 | 131.9 | -112.9 | -48.1 | 0 | 0 | 0 | 123.6 | ||||
| 9 | L | 30.5 | Very low | 34.2 | Very low | 133 Ų | 133 | 149.1 Ų | 149.1 | 70% | 0.696 | 79% | 0.79 | S | S | * | * | trans | 107.5 | 137.3 | 139.5 | -74.8 | 165.5 | 0 | 0 | 0 | 123.2 | ||||
| 10 | F | 28.6 | Very low | 33.9 | Very low | 171 Ų | 171 | 146.6 Ų | 146.6 | 75% | 0.75 | 79% | 0.792 | S | S | * | * | trans | 62.7 | 118.5 | 156.7 | -79.2 | -67.7 | 0 | 0 | 0 | 121.6 | L12 | F10-L12 HydrophobicContact CD1-CB 4.42Š| ||
| 11 | L | 29.7 | Very low | 33.6 | Very low | 176 Ų | 176 | 143.2 Ų | 143.2 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | -143.6 | 111.6 | 123.1 | -144.7 | 135.9 | 0 | 0 | 0 | 111.3 | |||||
| 12 | L | 32 | Very low | 34.2 | Very low | 132 Ų | 132 | 136.9 Ų | 136.9 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | trans | -107.5 | 132.4 | 171.9 | -176.3 | 116.5 | 0 | 0 | 0 | 107.5 | F10 | F10-L12 HydrophobicContact CD1-CB 4.42Š| ||
| 13 | Q | 29.7 | Very low | 33.8 | Very low | 156 Ų | 156 | 138.7 Ų | 138.7 | 73% | 0.729 | 78% | 0.778 | S | S | * | * | trans | 41.3 | 128.8 | 149.1 | -156.9 | 126.2 | 47.8 | 0 | 0 | 120.7 | ||||
| 14 | Q | 29.2 | Very low | 32.5 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | 133.5 | 138.7 | 114 | -142.2 | 175.9 | -32.3 | 0 | 0 | 116.6 | |||||
| 15 | E | 28 | Very low | 31.7 | Very low | 149 Ų | 149 | 138.2 Ų | 138.2 | 70% | 0.696 | 79% | 0.788 | S | S | * | * | trans | 86.7 | 139.1 | 145.8 | -137.9 | 138 | 114.5 | 0 | 0 | 122.4 | ||||
| 16 | Q | 36.1 | Very low | 31.6 | Very low | 177 Ų | 177 | 133.8 Ų | 133.8 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | trans | -112.7 | 120 | -179.7 | 167.4 | -166.4 | 102.9 | 0 | 0 | 107.3 | ||||
| 17 | Q | 30 | Very low | 31.7 | Very low | 174 Ų | 174 | 138.6 Ų | 138.6 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -165.7 | 127.1 | 158.8 | -114.7 | 159.3 | 92.6 | 0 | 0 | 114.1 | ||||
| 18 | G | 28.6 | Very low | 30.8 | Very low | 68 Ų | 68 | 136.6 Ų | 136.6 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | 56.3 | 109.1 | 128.4 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 19 | L | 28.6 | Very low | 30.9 | Very low | 181 Ų | 181 | 133.2 Ų | 133.2 | 95% | 0.948 | 79% | 0.791 | S | S | * | * | trans | 78.6 | 137.8 | 134.2 | -68.2 | 165.5 | 0 | 0 | 0 | 122.3 | ||||
| 20 | A | 27.9 | Very low | 30.9 | Very low | 99 Ų | 99 | 134.1 Ų | 134.1 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | 95.5 | 75.3 | 142.8 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 21 | G | 28.1 | Very low | 31.1 | Very low | 77 Ų | 77 | 133.2 Ų | 133.2 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | 69.2 | -168 | 134.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 22 | P | 48.2 | Very low | 31.1 | Very low | 113 Ų | 113 | 133.3 Ų | 133.3 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | cis | -139.2 | -174 | -14 | 40.9 | -22.8 | 0 | 0 | 0 | 115.4 | ||||
| 23 | L | 29.8 | Very low | 31.1 | Very low | 177 Ų | 177 | 131.7 Ų | 131.7 | 93% | 0.927 | 79% | 0.794 | S | S | * | * | trans | 70.4 | 141.8 | 166.7 | -53.7 | 164.5 | 0 | 0 | 0 | 116.3 | ||||
| 24 | G | 30.4 | Very low | 31.2 | Very low | 78 Ų | 78 | 128.2 Ų | 128.2 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | cis | -178.3 | 170 | -4 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 25 | D | 27.6 | Very low | 31.2 | Very low | 150 Ų | 150 | 124.8 Ų | 124.8 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | cis | -164.8 | -177.9 | 9.1 | -172.3 | 8.2 | 0 | 0 | 0 | 107.8 | ||||
| 26 | S | 30.7 | Very low | 31.4 | Very low | 99 Ų | 99 | 121.2 Ų | 121.2 | 69% | 0.692 | 81% | 0.811 | S | S | * | * | trans | 101.1 | 75.9 | 169.2 | -51.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 27 | L | 33.1 | Very low | 31.1 | Very low | 168 Ų | 168 | 120 Ų | 120 | 88% | 0.88 | 81% | 0.81 | S | S | * | * | 52.2 | 120.3 | 114.5 | -63.3 | 169.4 | 0 | 0 | 0 | 123 | |||||
| 28 | G | 30.8 | Very low | 31.5 | Very low | 85 Ų | 85 | 119.1 Ų | 119.1 | 88% | 0.876 | 81% | 0.81 | S | S | * | * | trans | 92.9 | 138 | 140.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 29 | G | 31.3 | Very low | 32.8 | Very low | 75 Ų | 75 | 121.1 Ų | 121.1 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | cis | 177.3 | 154 | -5.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 30 | D | 30.2 | Very low | 33.7 | Very low | 152 Ų | 152 | 118.3 Ų | 118.3 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | 52.7 | 106 | 156.4 | -65.6 | -13.5 | 0 | 0 | 0 | 124 | ||||
| 31 | H | 32.9 | Very low | 33.9 | Very low | 152 Ų | 152 | 117.7 Ų | 117.7 | 70% | 0.704 | 80% | 0.798 | S | S | * | * | 64.1 | 136.1 | 110.3 | -87.8 | -95.7 | 0 | 0 | 0 | 124.6 | |||||
| 32 | F | 29.6 | Very low | 35 | Very low | 178 Ų | 178 | 119.2 Ų | 119.2 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | trans | 75.5 | 101.7 | 148.9 | -78 | -63.7 | 0 | 0 | 0 | 123 | ||||
| 33 | A | 33.1 | Very low | 34.1 | Very low | 98 Ų | 98 | 121 Ų | 121 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | 58.6 | 145 | 114.6 | 0 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 34 | G | 30.5 | Very low | 34.3 | Very low | 84 Ų | 84 | 117.6 Ų | 117.6 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | trans | 108.8 | 128.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 35 | G | 29.3 | Very low | 35.2 | Very low | 86 Ų | 86 | 119.8 Ų | 119.8 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | cis | 121.4 | 119.3 | 8.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 36 | G | 31.5 | Very low | 35.4 | Very low | 75 Ų | 75 | 117.8 Ų | 117.8 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | 137.4 | 80.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 37 | D | 31.7 | Very low | 35.6 | Very low | 152 Ų | 152 | 116.5 Ų | 116.5 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | 38.4 | 131.6 | 123.6 | -82.1 | -42.1 | 0 | 0 | 0 | 124.8 | |||||
| 38 | L | 38.2 | Very low | 36.1 | Very low | 154 Ų | 154 | 114.9 Ų | 114.9 | 81% | 0.806 | 79% | 0.794 | S | S | * | * | trans | 94.9 | 155.2 | 134.6 | -69 | 170.6 | 0 | 0 | 0 | 121.1 | ||||
| 39 | P | 56 | Low | 36.2 | Very low | 110 Ų | 110 | 114.8 Ų | 114.8 | 71% | 0.714 | 79% | 0.785 | S | S | * | * | trans | -115.1 | -163.5 | -139 | 50 | -40.4 | 0 | 0 | 0 | 111.8 | ||||
| 40 | P | 46.9 | Very low | 36.7 | Very low | 123 Ų | 123 | 116.5 Ų | 116.5 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | cis | -140.8 | -175.9 | 22.1 | 42.1 | -19.2 | 0 | 0 | 0 | 118.6 | ||||
| 41 | A | 31.9 | Very low | 37 | Very low | 86 Ų | 86 | 119.7 Ų | 119.7 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | -82.8 | -169.1 | 169 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 42 | P | 50.3 | Low | 37.3 | Very low | 109 Ų | 109 | 117.4 Ų | 117.4 | 71% | 0.708 | 80% | 0.795 | S | S | * | * | cis | -144.5 | -171.9 | -0.2 | 44.9 | -25.3 | 0 | 0 | 0 | 116.9 | ||||
| 43 | L | 31.4 | Very low | 38 | Very low | 150 Ų | 150 | 114.5 Ų | 114.5 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | 68.4 | 109.9 | 156.5 | -56.7 | -179.3 | 0 | 0 | 0 | 122 | ||||
| 44 | S | 33 | Very low | 38.5 | Very low | 105 Ų | 105 | 115.8 Ų | 115.8 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | 36.4 | 161.9 | 111.5 | -48 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 45 | P | 48.8 | Very low | 39.2 | Very low | 125 Ų | 125 | 114.8 Ų | 114.8 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | cis | -137.3 | 153.4 | -44.4 | 37.9 | -22.5 | 0 | 0 | 0 | 113.4 | ||||
| 46 | A | 33.1 | Very low | 40.2 | Very low | 107 Ų | 107 | 117.3 Ų | 117.3 | 88% | 0.884 | 78% | 0.784 | S | S | * | * | trans | -154.1 | 122.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 47 | G | 33.9 | Very low | 41.2 | Very low | 73 Ų | 73 | 116.4 Ų | 116.4 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | trans | -114.9 | -170.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 48 | P | 43.1 | Very low | 42.4 | Very low | 133 Ų | 133 | 115.6 Ų | 115.6 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | cis | -116.8 | 148.3 | -8.8 | 36.7 | -24.1 | 0 | 0 | 0 | 112.5 | ||||
| 49 | A | 32.7 | Very low | 43.3 | Very low | 84 Ų | 84 | 110.9 Ų | 110.9 | 69% | 0.694 | 76% | 0.761 | S | S | * | * | trans | -119.9 | 132 | 161.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | Y51 | A49-Y51 PolarHBondContact O-N 3.43Š| ||
| 50 | A | 43.6 | Very low | 43.5 | Very low | 110 Ų | 110 | 109.7 Ų | 109.7 | 91% | 0.909 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 117.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 51 | Y | 35.4 | Very low | 44.2 | Very low | 220 Ų | 220 | 109.2 Ų | 109.2 | 86% | 0.863 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 127.3 | 166.2 | -95.7 | -92.5 | 0 | 0 | 0 | 109.7 | A49 | A49-Y51 PolarHBondContact O-N 3.43Š|
| 52 | S | 39 | Very low | 45.3 | Very low | 103 Ų | 103 | 108.4 Ų | 108.4 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 144.6 | 166.8 | -53.4 | 0 | 0 | 0 | 0 | 110.3 | ||
| 53 | P | 44.4 | Very low | 45.5 | Very low | 118 Ų | 118 | 105.3 Ų | 105.3 | 77% | 0.766 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 139.3 | 175.3 | 28.3 | -34 | 0 | 0 | 0 | 110 | ||
| 54 | P | 44.9 | Very low | 46.9 | Very low | 125 Ų | 125 | 104.2 Ų | 104.2 | 81% | 0.812 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 148.3 | 166.6 | 29.5 | -33.3 | 0 | 0 | 0 | 109.5 | ||
| 55 | G | 44.2 | Very low | 48.1 | Very low | 63 Ų | 63 | 101.6 Ų | 101.6 | 65% | 0.649 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 160.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G57 | G55-G57 PolarHBondContact O-N 2.99Š|
| 56 | P | 50.8 | Low | 48.4 | Very low | 138 Ų | 138 | 100.9 Ų | 100.9 | 90% | 0.896 | 69% | 0.693 | S | S | * | * | trans | -65.5 | 106.3 | -174.3 | 27.5 | -34.3 | 0 | 0 | 0 | 110.8 | ||||
| 57 | G | 53.1 | Low | 49.8 | Very low | 57 Ų | 57 | 105.7 Ų | 105.7 | 59% | 0.588 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 153.2 | 161.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | G55 A59 | G55-G57 PolarHBondContact O-N 2.99Å; G57-A59 PolarHBondContact O-N 2.68Å |
| 58 | P | 55.8 | Low | 51.3 | Low | 135 Ų | 135 | 108.3 Ų | 108.3 | 88% | 0.877 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 124.1 | 178.3 | 24.7 | -33.3 | 0 | 0 | 0 | 109.7 | ||
| 59 | A | 56.7 | Low | 52.5 | Low | 54 Ų | 54 | 106.1 Ų | 106.1 | 45% | 0.446 | 67% | 0.666 | S | S | . | * | P | Polyproline II helix | trans | -62.7 | 142.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | G57 A63 M64 | G57-A59 PolarHBondContact O-N 2.68Å; A59-A63 HydrophobicContact CB-CB 4.34Å; A59-M64 HydrophobicContact CB-CG 4.34Å |
| 60 | P | 61.1 | Low | 54.1 | Low | 86 Ų | 86 | 108.1 Ų | 108.1 | 56% | 0.558 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -60 | 147.9 | 179.6 | 24.7 | -33.7 | 0 | 0 | 0 | 110.6 | A62 A63 M64 | P60-A62 PolarHBondContact O-N 3.13Å; P60-A63 HydrophobicContact CG-CB 4.06Å; P60-A63 WeakPolarHBondContact O-CB 3.3Å; P60-A63 PolarHBondContact O-N 3.2Å; P60-M64 PolarHBondContact O-N 2.74Å |
| 61 | P | 61.8 | Low | 55.4 | Low | 113 Ų | 113 | 104 Ų | 104 | 73% | 0.734 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -52.3 | -36.6 | -172.7 | -29.6 | 35.2 | 0 | 0 | 0 | 114.4 | A63 M64 A65 | P61-A63 VanDerWaalsContact C-N 3.32Å; P61-A63 PolarHBondContact O-N 3.43Å; P61-M64 PolarHBondContact O-N 2.87Å; P61-A65 PolarHBondContact O-N 3.19Å |
| 62 | A | 54.9 | Low | 57.1 | Low | 69 Ų | 69 | 96.8 Ų | 96.8 | 57% | 0.57 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -61.7 | -33.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | P60 L66 | P60-A62 PolarHBondContact O-N 3.13Å; A62-L66 WeakPolarHBondContact O-CG 3.28Å; A62-L66 PolarHBondContact O-N 3.33Å |
| 63 | A | 55.1 | Low | 59 | Low | 44 Ų | 44 | 96.4 Ų | 96.4 | 36% | 0.364 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -74.8 | -31.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | A59 P60 P61 R67 | A59-A63 HydrophobicContact CB-CB 4.34Å; P60-A63 HydrophobicContact CG-CB 4.06Å; P60-A63 WeakPolarHBondContact O-CB 3.3Å; P60-A63 PolarHBondContact O-N 3.2Å; P61-A63 VanDerWaalsContact C-N 3.32Å; P61-A63 PolarHBondContact O-N 3.43Å; A63-R67 WeakPolarHBondContact O-CB 3.17Å; A63-R67 PolarHBondContact O-N 2.72Å |
| 64 | M | 60.4 | Low | 60.7 | Low | 127 Ų | 127 | 95.1 Ų | 95.1 | 63% | 0.626 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -71.3 | -42.3 | 171.9 | -66.9 | -161.5 | 70.8 | 0 | 0 | 111.6 | A59 P60 P61 R67 N68 | A59-M64 HydrophobicContact CB-CG 4.34Å; P60-M64 PolarHBondContact O-N 2.74Å; P61-M64 PolarHBondContact O-N 2.87Å; M64-R67 PolarHBondContact O-N 3.49Å; M64-N68 WeakPolarHBondContact O-CB 3.49Å; M64-N68 PolarHBondContact O-N 3.19Å |
| 65 | A | 57.6 | Low | 62.1 | Low | 50 Ų | 50 | 93.4 Ų | 93.4 | 41% | 0.413 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -56.4 | -53.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | P61 R67 N68 D69 | P61-A65 PolarHBondContact O-N 3.19Å; A65-R67 VanDerWaalsContact C-N 3.26Å; A65-R67 PolarHBondContact O-N 3.39Å; A65-N68 CarbonylContact O-C 3.6Å; A65-N68 WeakPolarHBondContact O-CA 3.48Å; A65-N68 WeakPolarHBondContact O-CB 3.47Å; A65-N68 PolarHBondContact O-N 2.76Å; A65-D69 PolarHBondContact O-N 3.26Å |
| 66 | L | 55 | Low | 63.9 | Low | 109 Ų | 109 | 94.4 Ų | 94.4 | 57% | 0.571 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -60.3 | -32.7 | 177.9 | -71.2 | 173.2 | 0 | 0 | 0 | 113.5 | A62 L70 | A62-L66 WeakPolarHBondContact O-CG 3.28Å; A62-L66 PolarHBondContact O-N 3.33Å; L66-L70 WeakPolarHBondContact O-CB 3.32Å; L66-L70 WeakPolarHBondContact O-CD1 3.18Å; L66-L70 PolarHBondContact O-N 2.94Å |
| 67 | R | 62.8 | Low | 65.7 | Low | 209 Ų | 209 | 92.3 Ų | 92.3 | 79% | 0.789 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -72.2 | -32.1 | 175.8 | -159.4 | 176.6 | -162.7 | -87.6 | 3.3 | 111.8 | A63 M64 A65 G71 | A63-R67 WeakPolarHBondContact O-CB 3.17Å; A63-R67 PolarHBondContact O-N 2.72Å; M64-R67 PolarHBondContact O-N 3.49Å; A65-R67 VanDerWaalsContact C-N 3.26Å; A65-R67 PolarHBondContact O-N 3.39Å; R67-G71 PolarHBondContact O-N 2.85Å |
| 68 | N | 64.8 | Low | 67.1 | Low | 127 Ų | 127 | 95.6 Ų | 95.6 | 68% | 0.679 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -74.8 | -40.3 | 174.5 | -144 | 16.3 | 0 | 0 | 0 | 111.2 | M64 A65 G71 S72 | M64-N68 WeakPolarHBondContact O-CB 3.49Å; M64-N68 PolarHBondContact O-N 3.19Å; A65-N68 CarbonylContact O-C 3.6Å; A65-N68 WeakPolarHBondContact O-CA 3.48Å; A65-N68 WeakPolarHBondContact O-CB 3.47Å; A65-N68 PolarHBondContact O-N 2.76Å; N68-G71 CarbonylContact O-C 3.54Å; N68-G71 WeakPolarHBondContact O-CA 3.27Å; N68-G71 PolarHBondContact O-N 3.27Å; N68-G71 VanDerWaalsContact O-N 3.1Å; N68-S72 PolarHBondContact O-N 2.94Å |
| 69 | D | 68.7 | Low | 68.3 | Low | 88 Ų | 88 | 92.5 Ų | 92.5 | 47% | 0.471 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 175 | -67.6 | -27.9 | 0 | 0 | 0 | 111.9 | A65 G71 S72 N73 | A65-D69 PolarHBondContact O-N 3.26Å; D69-G71 VanDerWaalsContact C-N 3.29Å; D69-G71 PolarHBondContact O-N 3.36Å; D69-S72 PolarHBondContact O-N 3.3Å; D69-N73 WeakPolarHBondContact O-CB 3.49Å; D69-N73 PolarHBondContact O-N 3.07Å; D69-N73 PolarHBondContact O-ND2 2.9Å |
| 70 | L | 66.2 | Low | 69.8 | Low | 125 Ų | 125 | 94 Ų | 94 | 65% | 0.654 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.4 | -35.3 | 170 | -100.9 | 71 | 0 | 0 | 0 | 111.8 | L66 I74 | L66-L70 WeakPolarHBondContact O-CB 3.32Å; L66-L70 WeakPolarHBondContact O-CD1 3.18Å; L66-L70 PolarHBondContact O-N 2.94Å; L70-I74 WeakPolarHBondContact O-CB 3.08Å; L70-I74 WeakPolarHBondContact O-CG2 3.24Å; L70-I74 PolarHBondContact O-N 2.88Å |
| 71 | G | 70.6 | Confident | 70.9 | Confident | 25 Ų | 25 | 95.1 Ų | 95.1 | 26% | 0.258 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | R67 N68 D69 I74 N75 | R67-G71 PolarHBondContact O-N 2.85Å; N68-G71 CarbonylContact O-C 3.54Å; N68-G71 WeakPolarHBondContact O-CA 3.27Å; N68-G71 PolarHBondContact O-N 3.27Å; N68-G71 VanDerWaalsContact O-N 3.1Å; D69-G71 VanDerWaalsContact C-N 3.29Å; D69-G71 PolarHBondContact O-N 3.36Å; G71-I74 VanDerWaalsContact O-CG2 3.26Å; G71-I74 WeakPolarHBondContact O-CG2 3.36Å; G71-N75 WeakPolarHBondContact O-CB 3.39Å; G71-N75 PolarHBondContact O-N 2.8Å; G71-N75 VanDerWaalsContact O-N 3.13Å; G71-N75 PolarHBondContact O-ND2 3.45Å |
| 72 | S | 71.1 | Confident | 72 | Confident | 68 Ų | 68 | 94.4 Ų | 94.4 | 48% | 0.476 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65 | -50.4 | 174 | -176.3 | 0 | 0 | 0 | 0 | 110.6 | N68 D69 I74 N75 V76 | N68-S72 PolarHBondContact O-N 2.94Å; D69-S72 PolarHBondContact O-N 3.3Å; S72-I74 PolarHBondContact O-N 3.33Å; S72-N75 PolarHBondContact O-N 2.83Å; S72-N75 VanDerWaalsContact O-N 3.13Å; S72-V76 WeakPolarHBondContact O-CG2 3.26Å; S72-V76 PolarHBondContact O-N 3.15Å |
| 73 | N | 78.3 | Confident | 73.2 | Confident | 95 Ų | 95 | 99.6 Ų | 99.6 | 51% | 0.508 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.5 | -42.6 | 178.7 | -79.3 | -68.4 | 0 | 0 | 0 | 112.9 | D69 N75 V76 L77 | D69-N73 WeakPolarHBondContact O-CB 3.49Å; D69-N73 PolarHBondContact O-N 3.07Å; D69-N73 PolarHBondContact O-ND2 2.9Å; N73-N75 VanDerWaalsContact C-N 3.32Å; N73-N75 PolarHBondContact O-N 3.43Å; N73-V76 PolarHBondContact O-N 2.99Å; N73-L77 WeakPolarHBondContact O-CB 3.47Å; N73-L77 WeakPolarHBondContact O-CD1 3.39Å; N73-L77 PolarHBondContact O-N 3.4Å |
| 74 | I | 80.7 | Confident | 74.6 | Confident | 90 Ų | 90 | 103.1 Ų | 103.1 | 46% | 0.462 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.4 | -35.2 | 176.9 | -162.9 | 72.6 | 0 | 0 | 0 | 111.4 | L70 G71 S72 L77 K78 | L70-I74 WeakPolarHBondContact O-CB 3.08Å; L70-I74 WeakPolarHBondContact O-CG2 3.24Å; L70-I74 PolarHBondContact O-N 2.88Å; G71-I74 VanDerWaalsContact O-CG2 3.26Å; G71-I74 WeakPolarHBondContact O-CG2 3.36Å; S72-I74 PolarHBondContact O-N 3.33Å; I74-L77 PolarHBondContact O-N 3.08Å; I74-K78 WeakPolarHBondContact O-CB 3.32Å; I74-K78 WeakPolarHBondContact O-CG 3.45Å; I74-K78 PolarHBondContact O-N 3.48Å |
| 75 | N | 75.1 | Confident | 75.4 | Confident | 90 Ų | 90 | 105.8 Ų | 105.8 | 48% | 0.481 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -72.3 | -39.1 | 177.2 | -72.5 | -8.4 | 0 | 0 | 0 | 112.2 | G71 S72 N73 K78 T79 | G71-N75 WeakPolarHBondContact O-CB 3.39Å; G71-N75 PolarHBondContact O-N 2.8Å; G71-N75 VanDerWaalsContact O-N 3.13Å; G71-N75 PolarHBondContact O-ND2 3.45Å; S72-N75 PolarHBondContact O-N 2.83Å; S72-N75 VanDerWaalsContact O-N 3.13Å; N73-N75 VanDerWaalsContact C-N 3.32Å; N73-N75 PolarHBondContact O-N 3.43Å; N75-K78 PolarHBondContact O-N 2.87Å; N75-T79 WeakPolarHBondContact O-CB 3.42Å; N75-T79 PolarHBondContact O-N 3.42Å; N75-T79 PolarHBondContact O-OG1 3.02Å |
| 76 | V | 82.3 | Confident | 76.3 | Confident | 83 Ų | 83 | 106.9 Ų | 106.9 | 50% | 0.503 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61 | -46.7 | 170.9 | 171.6 | 0 | 0 | 0 | 0 | 110.3 | S72 N73 K78 T79 L80 | S72-V76 WeakPolarHBondContact O-CG2 3.26Å; S72-V76 PolarHBondContact O-N 3.15Å; N73-V76 PolarHBondContact O-N 2.99Å; V76-K78 PolarHBondContact O-N 2.84Å; V76-T79 PolarHBondContact O-N 2.9Å; V76-L80 VanDerWaalsContact O-CB 3.3Å; V76-L80 WeakPolarHBondContact O-CB 3.41Å; V76-L80 PolarHBondContact O-N 3.4Å |
| 77 | L | 88.1 | Confident | 77.9 | Confident | 94 Ų | 94 | 108 Ų | 108 | 49% | 0.492 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.2 | -36 | 177.2 | -96.8 | 67.8 | 0 | 0 | 0 | 113.3 | N73 I74 N81 | N73-L77 WeakPolarHBondContact O-CB 3.47Å; N73-L77 WeakPolarHBondContact O-CD1 3.39Å; N73-L77 PolarHBondContact O-N 3.4Å; I74-L77 PolarHBondContact O-N 3.08Å; L77-N81 WeakPolarHBondContact O-CB 3.38Å; L77-N81 PolarHBondContact O-N 3.41Å; L77-N81 PolarHBondContact O-ND2 2.87Å |
| 78 | K | 81.4 | Confident | 79.1 | Confident | 127 Ų | 127 | 102.8 Ų | 102.8 | 55% | 0.552 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.7 | -47.8 | 172.8 | -78.4 | 169.2 | 177 | -178.8 | 0 | 111.3 | I74 N75 V76 L80 N81 L82 | I74-K78 WeakPolarHBondContact O-CB 3.32Å; I74-K78 WeakPolarHBondContact O-CG 3.45Å; I74-K78 PolarHBondContact O-N 3.48Å; N75-K78 PolarHBondContact O-N 2.87Å; V76-K78 PolarHBondContact O-N 2.84Å; K78-L80 VanDerWaalsContact C-N 3.3Å; K78-L80 PolarHBondContact O-N 3.34Å; K78-N81 PolarHBondContact O-N 3.18Å; K78-L82 WeakPolarHBondContact O-CB 3.34Å; K78-L82 PolarHBondContact O-N 2.9Å |
| 79 | T | 82.8 | Confident | 79.9 | Confident | 69 Ų | 69 | 99.6 Ų | 99.6 | 42% | 0.423 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.3 | -41.9 | 176.3 | -58.2 | 0 | 0 | 0 | 0 | 111.2 | N75 V76 L82 R83 | N75-T79 WeakPolarHBondContact O-CB 3.42Å; N75-T79 PolarHBondContact O-N 3.42Å; N75-T79 PolarHBondContact O-OG1 3.02Å; V76-T79 PolarHBondContact O-N 2.9Å; T79-L82 PolarHBondContact O-N 3.36Å; T79-R83 WeakPolarHBondContact O-CB 3.43Å; T79-R83 VanDerWaalsContact O-CG 3.28Å; T79-R83 WeakPolarHBondContact O-CG 3.24Å; T79-R83 PolarHBondContact O-N 3.45Å |
| 80 | L | 86.6 | Confident | 80.7 | Confident | 86 Ų | 86 | 100.1 Ų | 100.1 | 45% | 0.45 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.4 | -44.1 | 176.5 | -162.2 | 79.5 | 0 | 0 | 0 | 111.7 | V76 K78 R83 F84 | V76-L80 VanDerWaalsContact O-CB 3.3Å; V76-L80 WeakPolarHBondContact O-CB 3.41Å; V76-L80 PolarHBondContact O-N 3.4Å; K78-L80 VanDerWaalsContact C-N 3.3Å; K78-L80 PolarHBondContact O-N 3.34Å; L80-R83 PolarHBondContact O-N 3.34Å; L80-F84 HydrophobicContact CD1-CE2 4.43Å; L80-F84 HydrophobicContact CD2-CD2 4.5Å; L80-F84 HydrophobicContact CD2-CE2 3.69Å; L80-F84 HydrophobicContact CD2-CZ 4.41Å; L80-F84 HydrophobicContact CG-CD2 4.08Å; L80-F84 HydrophobicContact CG-CE2 3.6Å; L80-F84 HydrophobicContact CG-CZ 4.32Å; L80-F84 WeakPolarHBondContact O-CD2 3.33Å; L80-F84 PolarHBondContact O-N 3.19Å |
| 81 | N | 83.8 | Confident | 81.8 | Confident | 109 Ų | 109 | 96.4 Ų | 96.4 | 58% | 0.583 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.3 | -42.8 | 174.7 | -101.8 | -82.8 | 0 | 0 | 0 | 112.5 | L77 K78 R83 F84 R85 | L77-N81 WeakPolarHBondContact O-CB 3.38Å; L77-N81 PolarHBondContact O-N 3.41Å; L77-N81 PolarHBondContact O-ND2 2.87Å; K78-N81 PolarHBondContact O-N 3.18Å; N81-R83 VanDerWaalsContact C-N 3.34Å; N81-R83 PolarHBondContact O-N 2.83Å; N81-F84 PolarHBondContact O-N 3.21Å; N81-R85 WeakPolarHBondContact O-CB 3.44Å; N81-R85 PolarHBondContact O-N 3.48Å |
| 82 | L | 86.4 | Confident | 82.7 | Confident | 99 Ų | 99 | 100 Ų | 100 | 52% | 0.518 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 176.2 | -176.6 | 61.4 | 0 | 0 | 0 | 110.5 | K78 T79 F84 R85 C86 | K78-L82 WeakPolarHBondContact O-CB 3.34Å; K78-L82 PolarHBondContact O-N 2.9Å; T79-L82 PolarHBondContact O-N 3.36Å; L82-F84 PolarHBondContact O-N 2.93Å; L82-R85 WeakPolarHBondContact O-CB 3.25Å; L82-R85 PolarHBondContact O-N 3.46Å; L82-R85 VanDerWaalsContact O-N 3.16Å; L82-C86 PolarHBondContact O-N 2.96Å; L82-C86 PolarHBondContact O-SG 3.49Å |
| 83 | R | 80.1 | Confident | 83.5 | Confident | 178 Ų | 178 | 99.3 Ų | 99.3 | 67% | 0.672 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.5 | -42.3 | 173.9 | -72.6 | 173.8 | -176 | -163.7 | 2.5 | 112.3 | T79 L80 N81 C86 F87 | T79-R83 WeakPolarHBondContact O-CB 3.43Å; T79-R83 VanDerWaalsContact O-CG 3.28Å; T79-R83 WeakPolarHBondContact O-CG 3.24Å; T79-R83 PolarHBondContact O-N 3.45Å; L80-R83 PolarHBondContact O-N 3.34Å; N81-R83 VanDerWaalsContact C-N 3.34Å; N81-R83 PolarHBondContact O-N 2.83Å; R83-C86 PolarHBondContact O-N 3.09Å; R83-F87 VanDerWaalsContact O-CB 3.31Å; R83-F87 WeakPolarHBondContact O-CB 3.47Å; R83-F87 PolarHBondContact O-N 2.95Å |
| 84 | F | 83.1 | Confident | 83.8 | Confident | 118 Ų | 118 | 99 Ų | 99 | 52% | 0.518 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 173.6 | -75.9 | -53.1 | 0 | 0 | 0 | 112.6 | L80 N81 L82 F87 L88 | L80-F84 HydrophobicContact CD1-CE2 4.43Å; L80-F84 HydrophobicContact CD2-CD2 4.5Å; L80-F84 HydrophobicContact CD2-CE2 3.69Å; L80-F84 HydrophobicContact CD2-CZ 4.41Å; L80-F84 HydrophobicContact CG-CD2 4.08Å; L80-F84 HydrophobicContact CG-CE2 3.6Å; L80-F84 HydrophobicContact CG-CZ 4.32Å; L80-F84 WeakPolarHBondContact O-CD2 3.33Å; L80-F84 PolarHBondContact O-N 3.19Å; N81-F84 PolarHBondContact O-N 3.21Å; L82-F84 PolarHBondContact O-N 2.93Å; F84-F87 PolarHBondContact O-N 3.36Å; F84-L88 WeakPolarHBondContact O-CB 3.46Å; F84-L88 WeakPolarHBondContact O-CG 3.32Å; F84-L88 PolarHBondContact O-N 3.09Å |
| 85 | R | 77.6 | Confident | 84.2 | Confident | 183 Ų | 183 | 98.3 Ų | 98.3 | 69% | 0.691 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.7 | -44.4 | 177 | -157.7 | 178.3 | 79.7 | 116.2 | -1.6 | 111.4 | N81 L82 A89 | N81-R85 WeakPolarHBondContact O-CB 3.44Å; N81-R85 PolarHBondContact O-N 3.48Å; L82-R85 WeakPolarHBondContact O-CB 3.25Å; L82-R85 PolarHBondContact O-N 3.46Å; L82-R85 VanDerWaalsContact O-N 3.16Å; R85-A89 WeakPolarHBondContact O-CB 3.37Å; R85-A89 PolarHBondContact O-N 2.9Å |
| 86 | C | 77.7 | Confident | 84.8 | Confident | 73 Ų | 73 | 102.2 Ų | 102.2 | 49% | 0.493 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.9 | -40.8 | 173.6 | -65.1 | 0 | 0 | 0 | 0 | 112.3 | L82 R83 A89 K90 | L82-C86 PolarHBondContact O-N 2.96Å; L82-C86 PolarHBondContact O-SG 3.49Å; R83-C86 PolarHBondContact O-N 3.09Å; C86-A89 PolarHBondContact O-N 2.87Å; C86-K90 WeakPolarHBondContact O-CB 3.48Å; C86-K90 PolarHBondContact O-N 2.68Å |
| 87 | F | 87.9 | Confident | 84.9 | Confident | 133 Ų | 133 | 104.3 Ų | 104.3 | 58% | 0.583 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.3 | -47.4 | 176.6 | 179.4 | -96.4 | 0 | 0 | 0 | 111.8 | R83 F84 A89 K90 V91 | R83-F87 VanDerWaalsContact O-CB 3.31Å; R83-F87 WeakPolarHBondContact O-CB 3.47Å; R83-F87 PolarHBondContact O-N 2.95Å; F84-F87 PolarHBondContact O-N 3.36Å; F87-A89 PolarHBondContact O-N 3.27Å; F87-K90 CarbonylContact O-C 3.6Å; F87-K90 WeakPolarHBondContact O-CB 3.32Å; F87-K90 PolarHBondContact O-N 3.07Å; F87-K90 VanDerWaalsContact O-N 3.12Å; F87-V91 HydrophobicContact CD1-CG2 4.06Å; F87-V91 HydrophobicContact CE1-CG2 3.64Å; F87-V91 HydrophobicContact CE2-CG2 4.38Å; F87-V91 HydrophobicContact CZ-CG2 3.82Å; F87-V91 WeakPolarHBondContact O-CG2 3.33Å; F87-V91 PolarHBondContact O-N 3Å |
| 88 | L | 87.9 | Confident | 84.6 | Confident | 98 Ų | 98 | 104.3 Ų | 104.3 | 51% | 0.513 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.2 | -41.6 | 176.7 | -71.4 | 169.6 | 0 | 0 | 0 | 111.9 | F84 K90 V91 H92 | F84-L88 WeakPolarHBondContact O-CB 3.46Å; F84-L88 WeakPolarHBondContact O-CG 3.32Å; F84-L88 PolarHBondContact O-N 3.09Å; L88-K90 VanDerWaalsContact C-N 3.31Å; L88-K90 PolarHBondContact O-N 3.41Å; L88-V91 PolarHBondContact O-N 3.41Å; L88-H92 PolarHBondContact O-CD2 3.16Å; L88-H92 VanDerWaalsContact O-CD2 3.25Å; L88-H92 PolarHBondContact O-N 2.85Å |
| 89 | A | 82.6 | Confident | 85.1 | Confident | 61 Ų | 61 | 104.7 Ų | 104.7 | 50% | 0.504 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.7 | -43.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R85 C86 F87 H92 E93 | R85-A89 WeakPolarHBondContact O-CB 3.37Å; R85-A89 PolarHBondContact O-N 2.9Å; C86-A89 PolarHBondContact O-N 2.87Å; F87-A89 PolarHBondContact O-N 3.27Å; A89-H92 PolarHBondContact O-N 2.86Å; A89-E93 WeakPolarHBondContact O-CB 3.42Å; A89-E93 PolarHBondContact O-N 3.29Å |
| 90 | K | 83.6 | Confident | 85.3 | Confident | 99 Ų | 99 | 106.1 Ų | 106.1 | 43% | 0.43 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.9 | -38.8 | 177.6 | -166.1 | 53.9 | 165.8 | -168.2 | 0 | 112.7 | C86 F87 L88 E93 L94 | C86-K90 WeakPolarHBondContact O-CB 3.48Å; C86-K90 PolarHBondContact O-N 2.68Å; F87-K90 CarbonylContact O-C 3.6Å; F87-K90 WeakPolarHBondContact O-CB 3.32Å; F87-K90 PolarHBondContact O-N 3.07Å; F87-K90 VanDerWaalsContact O-N 3.12Å; L88-K90 VanDerWaalsContact C-N 3.31Å; L88-K90 PolarHBondContact O-N 3.41Å; K90-E93 WeakPolarHBondContact CD-OE2 3.37Å; K90-E93 WeakPolarHBondContact CE-OE2 3.37Å; K90-E93 IonicContact NZ-OE1 2.64Å; K90-E93 IonicContact NZ-OE2 2.77Å; K90-E93 PolarHBondContact NZ-OE2 3.25Å; K90-E93 WeakPolarHBondContact O-CB 3.45Å; K90-E93 PolarHBondContact O-N 3.12Å; K90-L94 HydrophobicContact CG-CD1 4.27Å; K90-L94 WeakPolarHBondContact O-CB 3.34Å; K90-L94 VanDerWaalsContact O-CG 3.28Å; K90-L94 WeakPolarHBondContact O-CG 3.39Å; K90-L94 PolarHBondContact O-N 2.83Å |
| 91 | V | 90.8 | Very high | 85.3 | Confident | 47 Ų | 47 | 106.8 Ų | 106.8 | 29% | 0.285 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.9 | -49.5 | 173.3 | 169.4 | 0 | 0 | 0 | 0 | 110.2 | F87 L88 E93 L94 E95 | F87-V91 HydrophobicContact CD1-CG2 4.06Å; F87-V91 HydrophobicContact CE1-CG2 3.64Å; F87-V91 HydrophobicContact CE2-CG2 4.38Å; F87-V91 HydrophobicContact CZ-CG2 3.82Å; F87-V91 WeakPolarHBondContact O-CG2 3.33Å; F87-V91 PolarHBondContact O-N 3Å; L88-V91 PolarHBondContact O-N 3.41Å; V91-E93 VanDerWaalsContact C-N 3.34Å; V91-E93 PolarHBondContact O-N 3.49Å; V91-L94 PolarHBondContact O-N 2.94Å; V91-E95 HydrophobicContact CG1-CG 4.38Å; V91-E95 WeakPolarHBondContact O-CG 3.35Å; V91-E95 PolarHBondContact O-N 2.98Å |
| 92 | H | 87.9 | Confident | 85.6 | Confident | 99 Ų | 99 | 107.5 Ų | 107.5 | 46% | 0.458 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.8 | -31 | 178.2 | -66.9 | -44.7 | 0 | 0 | 0 | 113.7 | L88 A89 E95 R96 | L88-H92 PolarHBondContact O-CD2 3.16Å; L88-H92 VanDerWaalsContact O-CD2 3.25Å; L88-H92 PolarHBondContact O-N 2.85Å; A89-H92 PolarHBondContact O-N 2.86Å; H92-E95 IonicContact CE1-OE2 3.9Å; H92-E95 IonicContact CG-OE2 2.62Å; H92-E95 IonicContact ND1-OE2 3.88Å; H92-E95 PolarHBondContact ND1-OE2 3.35Å; H92-R96 WeakPolarHBondContact O-CG 3.44Å; H92-R96 PolarHBondContact O-N 3.2Å |
| 93 | E | 89.5 | Confident | 85.8 | Confident | 55 Ų | 55 | 109.8 Ų | 109.8 | 26% | 0.257 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 170.5 | -160.3 | -159.1 | 157.3 | 0 | 0 | 111.4 | A89 K90 V91 R96 R97 | A89-E93 WeakPolarHBondContact O-CB 3.42Å; A89-E93 PolarHBondContact O-N 3.29Å; K90-E93 WeakPolarHBondContact CD-OE2 3.37Å; K90-E93 WeakPolarHBondContact CE-OE2 3.37Å; K90-E93 IonicContact NZ-OE1 2.64Å; K90-E93 IonicContact NZ-OE2 2.77Å; K90-E93 PolarHBondContact NZ-OE2 3.25Å; K90-E93 WeakPolarHBondContact O-CB 3.45Å; K90-E93 PolarHBondContact O-N 3.12Å; V91-E93 VanDerWaalsContact C-N 3.34Å; V91-E93 PolarHBondContact O-N 3.49Å; E93-R96 PolarHBondContact O-N 3.04Å; E93-R97 PolarHBondContact O-N 2.85Å; E93-R97 VanDerWaalsContact O-N 3.09Å; E93-R97 IonicContact OE1-CZ 2.89Å; E93-R97 IonicContact OE1-NH1 3.59Å; E93-R97 PolarHBondContact OE1-NH1 2.84Å; E93-R97 IonicContact OE1-NH2 3.32Å; E93-R97 PolarHBondContact OE1-NH2 3.4Å; E93-R97 IonicContact OE2-NH1 2.67Å |
| 94 | L | 83.8 | Confident | 86.2 | Confident | 88 Ų | 88 | 106.3 Ų | 106.3 | 46% | 0.461 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.9 | -39 | 176.2 | -70.9 | 170.3 | 0 | 0 | 0 | 112.3 | K90 V91 R96 R97 N98 | K90-L94 HydrophobicContact CG-CD1 4.27Å; K90-L94 WeakPolarHBondContact O-CB 3.34Å; K90-L94 VanDerWaalsContact O-CG 3.28Å; K90-L94 WeakPolarHBondContact O-CG 3.39Å; K90-L94 PolarHBondContact O-N 2.83Å; V91-L94 PolarHBondContact O-N 2.94Å; L94-R96 VanDerWaalsContact C-N 3.31Å; L94-R96 PolarHBondContact O-N 2.77Å; L94-R97 PolarHBondContact O-N 2.74Å; L94-N98 WeakPolarHBondContact O-CB 3.44Å; L94-N98 PolarHBondContact O-N 3.21Å |
| 95 | E | 89.9 | Confident | 86.3 | Confident | 75 Ų | 75 | 106.2 Ų | 106.2 | 35% | 0.35 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.1 | -38.1 | 172.5 | -74.6 | 176.5 | 167.5 | 0 | 0 | 112.3 | V91 H92 R99 | V91-E95 HydrophobicContact CG1-CG 4.38Å; V91-E95 WeakPolarHBondContact O-CG 3.35Å; V91-E95 PolarHBondContact O-N 2.98Å; H92-E95 IonicContact CE1-OE2 3.9Å; H92-E95 IonicContact CG-OE2 2.62Å; H92-E95 IonicContact ND1-OE2 3.88Å; H92-E95 PolarHBondContact ND1-OE2 3.35Å; E95-R99 WeakPolarHBondContact O-CB 3.36Å; E95-R99 WeakPolarHBondContact O-CG 3.42Å; E95-R99 PolarHBondContact O-N 3.24Å; E95-R99 PolarHBondContact O-NE 3.05Å; E95-R99 IonicContact OE2-NH2 3.17Å; E95-R99 PolarHBondContact OE2-NH2 3.21Å |
| 96 | R | 86.8 | Confident | 86.6 | Confident | 173 Ų | 173 | 103.2 Ų | 103.2 | 65% | 0.653 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.6 | -44.3 | 173.7 | -77.7 | -170.9 | -70.9 | 174.7 | -1 | 111.4 | H92 E93 L94 R99 L100 | H92-R96 WeakPolarHBondContact O-CG 3.44Å; H92-R96 PolarHBondContact O-N 3.2Å; E93-R96 PolarHBondContact O-N 3.04Å; L94-R96 VanDerWaalsContact C-N 3.31Å; L94-R96 PolarHBondContact O-N 2.77Å; R96-R99 PolarHBondContact O-N 3.47Å; R96-L100 PolarHBondContact O-N 2.74Å; R96-L100 VanDerWaalsContact O-N 3.14Å |
| 97 | R | 83.9 | Confident | 86.9 | Confident | 126 Ų | 126 | 105.2 Ų | 105.2 | 48% | 0.475 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 174.7 | -72.2 | -164.7 | -177.4 | 89.7 | 4.3 | 112.5 | E93 L94 R99 L100 L101 | E93-R97 PolarHBondContact O-N 2.85Å; E93-R97 VanDerWaalsContact O-N 3.09Å; E93-R97 IonicContact OE1-CZ 2.89Å; E93-R97 IonicContact OE1-NH1 3.59Å; E93-R97 PolarHBondContact OE1-NH1 2.84Å; E93-R97 IonicContact OE1-NH2 3.32Å; E93-R97 PolarHBondContact OE1-NH2 3.4Å; E93-R97 IonicContact OE2-NH1 2.67Å; L94-R97 PolarHBondContact O-N 2.74Å; R97-R99 PolarHBondContact O-N 2.81Å; R97-L100 WeakPolarHBondContact O-CB 3.26Å; R97-L100 PolarHBondContact O-N 3.47Å; R97-L100 VanDerWaalsContact O-N 3.1Å; R97-L101 WeakPolarHBondContact O-CG 3.36Å; R97-L101 PolarHBondContact O-N 3.27Å |
| 98 | N | 81.8 | Confident | 86.4 | Confident | 95 Ų | 95 | 101.7 Ų | 101.7 | 51% | 0.508 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 176.2 | -89.6 | -10.4 | 0 | 0 | 0 | 111.8 | L94 L100 L101 E102 | L94-N98 WeakPolarHBondContact O-CB 3.44Å; L94-N98 PolarHBondContact O-N 3.21Å; N98-L100 PolarHBondContact O-N 3.35Å; N98-L101 PolarHBondContact O-N 3.33Å; N98-L101 VanDerWaalsContact O-N 3.17Å; N98-E102 WeakPolarHBondContact O-CB 3.33Å; N98-E102 VanDerWaalsContact O-CG 3.32Å; N98-E102 WeakPolarHBondContact O-CG 3.48Å; N98-E102 PolarHBondContact O-N 3.1Å |
| 99 | R | 92 | Very high | 85.9 | Confident | 135 Ų | 135 | 101.6 Ų | 101.6 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.6 | -30 | 174.6 | -77.5 | 179.2 | -109.7 | 172.4 | -8.8 | 113.4 | E95 R96 R97 K103 | E95-R99 WeakPolarHBondContact O-CB 3.36Å; E95-R99 WeakPolarHBondContact O-CG 3.42Å; E95-R99 PolarHBondContact O-N 3.24Å; E95-R99 PolarHBondContact O-NE 3.05Å; E95-R99 IonicContact OE2-NH2 3.17Å; E95-R99 PolarHBondContact OE2-NH2 3.21Å; R96-R99 PolarHBondContact O-N 3.47Å; R97-R99 PolarHBondContact O-N 2.81Å; R99-K103 WeakPolarHBondContact O-CG 3.43Å; R99-K103 PolarHBondContact O-N 2.87Å |
| 100 | L | 87.7 | Confident | 85.5 | Confident | 99 Ų | 99 | 103.4 Ų | 103.4 | 52% | 0.518 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -74.8 | -44.2 | 173.7 | -174.5 | 63 | 0 | 0 | 0 | 111.7 | R96 R97 N98 E102 K103 Q104 | R96-L100 PolarHBondContact O-N 2.74Å; R96-L100 VanDerWaalsContact O-N 3.14Å; R97-L100 WeakPolarHBondContact O-CB 3.26Å; R97-L100 PolarHBondContact O-N 3.47Å; R97-L100 VanDerWaalsContact O-N 3.1Å; N98-L100 PolarHBondContact O-N 3.35Å; L100-E102 VanDerWaalsContact C-N 3.34Å; L100-E102 PolarHBondContact O-N 2.7Å; L100-K103 WeakPolarHBondContact O-CB 3.46Å; L100-K103 PolarHBondContact O-N 2.91Å; L100-Q104 WeakPolarHBondContact O-CG 3.46Å; L100-Q104 PolarHBondContact O-N 2.62Å |
| 101 | L | 87 | Confident | 85 | Confident | 99 Ų | 99 | 103.7 Ų | 103.7 | 52% | 0.518 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.5 | -39.4 | 175.5 | -68.1 | 170.9 | 0 | 0 | 0 | 112 | R97 N98 Q104 L105 | R97-L101 WeakPolarHBondContact O-CG 3.36Å; R97-L101 PolarHBondContact O-N 3.27Å; N98-L101 PolarHBondContact O-N 3.33Å; N98-L101 VanDerWaalsContact O-N 3.17Å; L101-Q104 PolarHBondContact O-N 3.21Å; L101-L105 WeakPolarHBondContact O-CB 3.31Å; L101-L105 PolarHBondContact O-N 2.99Å |
| 102 | E | 89.2 | Confident | 83.8 | Confident | 124 Ų | 124 | 103.8 Ų | 103.8 | 58% | 0.579 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.5 | -43.2 | 173.1 | -76.1 | 173.6 | 168.8 | 0 | 0 | 111.7 | N98 L100 L105 Q106 | N98-E102 WeakPolarHBondContact O-CB 3.33Å; N98-E102 VanDerWaalsContact O-CG 3.32Å; N98-E102 WeakPolarHBondContact O-CG 3.48Å; N98-E102 PolarHBondContact O-N 3.1Å; L100-E102 VanDerWaalsContact C-N 3.34Å; L100-E102 PolarHBondContact O-N 2.7Å; E102-L105 PolarHBondContact O-N 2.9Å; E102-Q106 WeakPolarHBondContact O-CB 3.19Å; E102-Q106 PolarHBondContact O-N 3.07Å |
| 103 | K | 90.3 | Very high | 82.7 | Confident | 148 Ų | 148 | 104.7 Ų | 104.7 | 64% | 0.643 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.4 | -44.4 | 174.3 | -74.8 | 173.5 | 178.5 | -175.3 | 0 | 111.9 | R99 L100 Q106 Q107 | R99-K103 WeakPolarHBondContact O-CG 3.43Å; R99-K103 PolarHBondContact O-N 2.87Å; L100-K103 WeakPolarHBondContact O-CB 3.46Å; L100-K103 PolarHBondContact O-N 2.91Å; K103-Q106 WeakPolarHBondContact O-CB 3.47Å; K103-Q106 PolarHBondContact O-N 2.92Å; K103-Q107 WeakPolarHBondContact O-CB 3.33Å; K103-Q107 PolarHBondContact O-N 2.86Å |
| 104 | Q | 89.6 | Confident | 81 | Confident | 104 Ų | 104 | 107.9 Ų | 107.9 | 49% | 0.486 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 176.9 | -71.1 | 174.5 | -9.7 | 0 | 0 | 111.8 | L100 L101 Q106 Q107 A108 | L100-Q104 WeakPolarHBondContact O-CG 3.46Å; L100-Q104 PolarHBondContact O-N 2.62Å; L101-Q104 PolarHBondContact O-N 3.21Å; Q104-Q106 VanDerWaalsContact C-N 3.34Å; Q104-Q106 PolarHBondContact O-N 2.92Å; Q104-Q107 PolarHBondContact O-N 3.31Å; Q104-A108 PolarHBondContact O-N 3.46Å |
| 105 | L | 84.2 | Confident | 79.6 | Confident | 117 Ų | 117 | 106.7 Ų | 106.7 | 61% | 0.613 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.1 | -41.9 | 174.8 | -165.5 | 94.6 | 0 | 0 | 0 | 111.6 | L101 E102 A108 L109 | L101-L105 WeakPolarHBondContact O-CB 3.31Å; L101-L105 PolarHBondContact O-N 2.99Å; E102-L105 PolarHBondContact O-N 2.9Å; L105-A108 PolarHBondContact O-N 3.45Å; L105-L109 WeakPolarHBondContact O-CB 3.49Å; L105-L109 PolarHBondContact O-N 3.4Å |
| 106 | Q | 83.6 | Confident | 77.7 | Confident | 120 Ų | 120 | 114.1 Ų | 114.1 | 56% | 0.561 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64 | -42.7 | 177.2 | -159.7 | 76.8 | -9 | 0 | 0 | 111.3 | E102 K103 Q104 L109 E110 | E102-Q106 WeakPolarHBondContact O-CB 3.19Å; E102-Q106 PolarHBondContact O-N 3.07Å; K103-Q106 WeakPolarHBondContact O-CB 3.47Å; K103-Q106 PolarHBondContact O-N 2.92Å; Q104-Q106 VanDerWaalsContact C-N 3.34Å; Q104-Q106 PolarHBondContact O-N 2.92Å; Q106-L109 WeakPolarHBondContact O-CB 3.3Å; Q106-L109 PolarHBondContact O-N 3.3Å; Q106-E110 VanDerWaalsContact O-CG 3.23Å; Q106-E110 WeakPolarHBondContact O-CG 3.31Å; Q106-E110 PolarHBondContact O-N 3.09Å |
| 107 | Q | 84.4 | Confident | 75.9 | Confident | 114 Ų | 114 | 115.5 Ų | 115.5 | 53% | 0.533 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.7 | -47.7 | 176.1 | 179.9 | 176.8 | -16.5 | 0 | 0 | 111.7 | K103 Q104 L109 E110 E111 | K103-Q107 WeakPolarHBondContact O-CB 3.33Å; K103-Q107 PolarHBondContact O-N 2.86Å; Q104-Q107 PolarHBondContact O-N 3.31Å; Q107-L109 PolarHBondContact O-N 3.5Å; Q107-E110 WeakPolarHBondContact O-CA 3.35Å; Q107-E110 WeakPolarHBondContact O-CB 3.37Å; Q107-E110 PolarHBondContact O-N 3.22Å; Q107-E111 HydrophobicContact CG-CG 4.48Å; Q107-E111 VanDerWaalsContact CG-OE1 3.31Å; Q107-E111 WeakPolarHBondContact CG-OE1 3.3Å; Q107-E111 PolarHBondContact NE2-OE1 3.48Å; Q107-E111 WeakPolarHBondContact O-CG 3.41Å; Q107-E111 PolarHBondContact O-N 3.45Å |
| 108 | A | 78.1 | Confident | 74.1 | Confident | 59 Ų | 59 | 112.7 Ų | 112.7 | 49% | 0.488 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -59.7 | -34.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q104 L105 G112 | Q104-A108 PolarHBondContact O-N 3.46Å; L105-A108 PolarHBondContact O-N 3.45Å; A108-G112 PolarHBondContact O-N 3.12Å |
| 109 | L | 76.6 | Confident | 72.3 | Confident | 97 Ų | 97 | 116 Ų | 116 | 51% | 0.508 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -70.6 | -29.2 | 172.8 | -83.4 | 166.1 | 0 | 0 | 0 | 113.7 | L105 Q106 Q107 K113 | L105-L109 WeakPolarHBondContact O-CB 3.49Å; L105-L109 PolarHBondContact O-N 3.4Å; Q106-L109 WeakPolarHBondContact O-CB 3.3Å; Q106-L109 PolarHBondContact O-N 3.3Å; Q107-L109 PolarHBondContact O-N 3.5Å; L109-K113 WeakPolarHBondContact O-CG 3.2Å; L109-K113 PolarHBondContact O-N 3.47Å |
| 110 | E | 75 | Confident | 69.9 | Low | 98 Ų | 98 | 113.2 Ų | 113.2 | 46% | 0.458 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -75.7 | -46.1 | 174.5 | -65.9 | -103.8 | 113.1 | 0 | 0 | 110.9 | Q106 Q107 G112 K113 Q114 | Q106-E110 VanDerWaalsContact O-CG 3.23Å; Q106-E110 WeakPolarHBondContact O-CG 3.31Å; Q106-E110 PolarHBondContact O-N 3.09Å; Q107-E110 WeakPolarHBondContact O-CA 3.35Å; Q107-E110 WeakPolarHBondContact O-CB 3.37Å; Q107-E110 PolarHBondContact O-N 3.22Å; E110-G112 VanDerWaalsContact C-N 3.34Å; E110-G112 PolarHBondContact O-N 2.7Å; E110-K113 WeakPolarHBondContact O-CA 3.38Å; E110-K113 WeakPolarHBondContact O-CB 3.17Å; E110-K113 PolarHBondContact O-N 3.38Å; E110-Q114 WeakPolarHBondContact O-CG 3.36Å; E110-Q114 PolarHBondContact O-N 3.06Å |
| 111 | E | 72.8 | Confident | 67.4 | Low | 106 Ų | 106 | 119.8 Ų | 119.8 | 50% | 0.495 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -58.1 | -44.9 | 174.6 | -70.8 | 170.3 | -171.7 | 0 | 0 | 111 | Q107 K113 Q114 G115 | Q107-E111 HydrophobicContact CG-CG 4.48Å; Q107-E111 VanDerWaalsContact CG-OE1 3.31Å; Q107-E111 WeakPolarHBondContact CG-OE1 3.3Å; Q107-E111 PolarHBondContact NE2-OE1 3.48Å; Q107-E111 WeakPolarHBondContact O-CG 3.41Å; Q107-E111 PolarHBondContact O-N 3.45Å; E111-K113 PolarHBondContact O-N 2.79Å; E111-Q114 PolarHBondContact O-N 3.33Å; E111-Q114 VanDerWaalsContact O-N 3.08Å; E111-G115 PolarHBondContact O-N 2.94Å |
| 112 | G | 65.6 | Low | 65.2 | Low | 49 Ų | 49 | 126.4 Ų | 126.4 | 51% | 0.505 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -61.6 | -25.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | A108 E110 | A108-G112 PolarHBondContact O-N 3.12Å; E110-G112 VanDerWaalsContact C-N 3.34Å; E110-G112 PolarHBondContact O-N 2.7Å |
| 113 | K | 64.1 | Low | 62.6 | Low | 118 Ų | 118 | 128 Ų | 128 | 51% | 0.513 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -82.3 | -33.8 | 171.6 | -72.8 | 167.7 | -171.3 | 164.1 | 0 | 112.4 | L109 E110 E111 | L109-K113 WeakPolarHBondContact O-CG 3.2Å; L109-K113 PolarHBondContact O-N 3.47Å; E110-K113 WeakPolarHBondContact O-CA 3.38Å; E110-K113 WeakPolarHBondContact O-CB 3.17Å; E110-K113 PolarHBondContact O-N 3.38Å; E111-K113 PolarHBondContact O-N 2.79Å |
| 114 | Q | 55.1 | Low | 60 | Low | 122 Ų | 122 | 130.3 Ų | 130.3 | 57% | 0.57 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -69.7 | -42.9 | 177.5 | -67.2 | -178.1 | 32.1 | 0 | 0 | 110.9 | E110 E111 R116 R117 | E110-Q114 WeakPolarHBondContact O-CG 3.36Å; E110-Q114 PolarHBondContact O-N 3.06Å; E111-Q114 PolarHBondContact O-N 3.33Å; E111-Q114 VanDerWaalsContact O-N 3.08Å; Q114-R116 PolarHBondContact O-N 3.28Å; Q114-R116 VanDerWaalsContact O-N 3.13Å; Q114-R117 PolarHBondContact O-N 3.21Å |
| 115 | G | 53 | Low | 57.2 | Low | 62 Ų | 62 | 129.7 Ų | 129.7 | 64% | 0.639 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -58.3 | -25.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | E111 | E111-G115 PolarHBondContact O-N 2.94Š|
| 116 | R | 51 | Low | 54.8 | Low | 232 Ų | 232 | 131 Ų | 131 | 88% | 0.875 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -82.2 | -8 | 174.7 | -81.3 | -164.4 | -177.7 | -93.2 | 0.8 | 115.3 | Q114 | Q114-R116 PolarHBondContact O-N 3.28Å; Q114-R116 VanDerWaalsContact O-N 3.13Å |
| 117 | R | 48 | Very low | 52.3 | Low | 202 Ų | 202 | 133.7 Ų | 133.7 | 76% | 0.762 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -95.5 | -6.4 | 178.4 | -75.6 | -168.7 | -81.4 | -136.5 | 1.3 | 114.5 | Q114 | Q114-R117 PolarHBondContact O-N 3.21Š|
| 118 | G | 47.8 | Very low | 50 | Low | 67 Ų | 67 | 135 Ų | 135 | 69% | 0.691 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -91.5 | -12.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 119 | L | 42.3 | Very low | 47.8 | Very low | 163 Ų | 163 | 135.7 Ų | 135.7 | 85% | 0.853 | 73% | 0.729 | S | S | * | * | trans | -115 | 92.7 | -174.9 | -78.2 | 168.5 | 0 | 0 | 0 | 112.4 | R121 | L119-R121 PolarHBondContact O-N 3.46Å; L119-R121 VanDerWaalsContact O-N 3.13Å | ||
| 120 | G | 43.3 | Very low | 45.5 | Very low | 78 Ų | 78 | 140.3 Ų | 140.3 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | -61.8 | 109 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | R122 | G120-R122 PolarHBondContact O-N 3.39Š| ||
| 121 | R | 35.1 | Very low | 43.5 | Very low | 236 Ų | 236 | 141.1 Ų | 141.1 | 89% | 0.891 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 121 | 169.4 | -99.2 | -177.6 | 165 | -90 | 1.2 | 109.2 | L119 | L119-R121 PolarHBondContact O-N 3.46Å; L119-R121 VanDerWaalsContact O-N 3.13Å |
| 122 | R | 39.8 | Very low | 41.3 | Very low | 238 Ų | 238 | 140.9 Ų | 140.9 | 90% | 0.898 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 132.1 | 157.3 | -74.5 | -177.1 | 176.8 | 130.5 | 0.6 | 108.4 | G120 | G120-R122 PolarHBondContact O-N 3.39Š|
| 123 | D | 34.5 | Very low | 40.7 | Very low | 159 Ų | 159 | 144 Ų | 144 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 130.8 | 170.7 | -78.4 | -52.9 | 0 | 0 | 0 | 110.8 | ||
| 124 | Q | 36.8 | Very low | 39.2 | Very low | 195 Ų | 195 | 146 Ų | 146 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | trans | -143.9 | 113.3 | 147.4 | -163.4 | 151.5 | 66.3 | 0 | 0 | 108.1 | ||||
| 125 | A | 31.1 | Very low | 38.3 | Very low | 91 Ų | 91 | 151.2 Ų | 151.2 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | trans | -88.8 | 134.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 126 | V | 32.6 | Very low | 37.9 | Very low | 146 Ų | 146 | 153.2 Ų | 153.2 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | trans | -135.2 | 125.2 | 152.9 | 179 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 127 | Q | 31 | Very low | 36.9 | Very low | 176 Ų | 176 | 150.5 Ų | 150.5 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -73.1 | 153.1 | 176.1 | -53.2 | 155.5 | -52.8 | 0 | 0 | 108.2 | ||||
| 128 | T | 35.9 | Very low | 36.1 | Very low | 142 Ų | 142 | 144.5 Ų | 144.5 | 87% | 0.871 | 81% | 0.812 | S | S | * | * | cis | -156.1 | 167.5 | 31.4 | 48.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 129 | G | 31.7 | Very low | 35.3 | Very low | 73 Ų | 73 | 148.9 Ų | 148.9 | 75% | 0.753 | 82% | 0.819 | S | S | * | * | cis | 178.9 | 172.6 | -6.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 130 | F | 28.4 | Very low | 34.7 | Very low | 194 Ų | 194 | 150 Ų | 150 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | trans | 74.5 | 93.5 | 158.5 | -134.1 | -102.4 | 0 | 0 | 0 | 122.6 | ||||
| 131 | V | 34.2 | Very low | 34.1 | Very low | 114 Ų | 114 | 154.3 Ų | 154.3 | 69% | 0.691 | 82% | 0.823 | S | S | * | * | 63.4 | 107.5 | 128.8 | -175.8 | 0 | 0 | 0 | 0 | 121 | |||||
| 132 | S | 25.6 | Very low | 33.9 | Very low | 102 Ų | 102 | 146.7 Ų | 146.7 | 71% | 0.713 | 82% | 0.819 | S | S | * | * | trans | -72.9 | -162.7 | 161.1 | -36.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 133 | P | 53.3 | Low | 33.6 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 74% | 0.74 | 82% | 0.816 | S | S | * | * | cis | -144.6 | -176.6 | -1.6 | 33.1 | -7.5 | 0 | 0 | 0 | 118 | ||||
| 134 | I | 32.9 | Very low | 33.5 | Very low | 161 Ų | 161 | 143.9 Ų | 143.9 | 83% | 0.826 | 82% | 0.818 | S | S | * | * | trans | 85.5 | 111.6 | 155.6 | -31.6 | -171.2 | 0 | 0 | 0 | 120.8 | ||||
| 135 | R | 36.6 | Very low | 33.5 | Very low | 231 Ų | 231 | 140.7 Ų | 140.7 | 87% | 0.872 | 81% | 0.814 | S | S | * | * | trans | -38.3 | 178.8 | 153.1 | -105.6 | -177.9 | 173.4 | 148.6 | -3.6 | 116.7 | ||||
| 136 | P | 43.3 | Very low | 33.5 | Very low | 103 Ų | 103 | 141 Ų | 141 | 67% | 0.669 | 82% | 0.816 | S | S | * | * | cis | -151.6 | -176 | 34.3 | 46.8 | -26.2 | 0 | 0 | 0 | 119.9 | ||||
| 137 | L | 31.3 | Very low | 33.5 | Very low | 175 Ų | 175 | 138.9 Ų | 138.9 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | trans | 74.1 | 144.1 | 156.3 | -70.6 | 164 | 0 | 0 | 0 | 120.7 | ||||
| 138 | G | 30.2 | Very low | 33.4 | Very low | 77 Ų | 77 | 136.9 Ų | 136.9 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | trans | 129.3 | 77.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 139 | L | 30.4 | Very low | 33.1 | Very low | 159 Ų | 159 | 136.1 Ų | 136.1 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | -80.1 | 132.7 | 169.1 | -77.8 | 162.2 | 0 | 0 | 0 | 110.4 | L141 | L139-L141 HydrophobicContact CD2-CD1 4.46Š| ||
| 140 | Q | 30.2 | Very low | 33 | Very low | 187 Ų | 187 | 138.2 Ų | 138.2 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | -132.3 | 112.7 | 158.6 | -83.8 | -79.9 | 52.5 | 0 | 0 | 106.5 | ||||
| 141 | L | 30.8 | Very low | 33.6 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | -92.6 | 121.2 | 171.9 | -103.7 | 98.3 | 0 | 0 | 0 | 109.2 | L139 | L139-L141 HydrophobicContact CD2-CD1 4.46Š| ||
| 142 | G | 30.7 | Very low | 33.4 | Very low | 77 Ų | 77 | 135.1 Ų | 135.1 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | trans | -157.1 | 110.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 143 | A | 33.8 | Very low | 33.7 | Very low | 103 Ų | 103 | 133.8 Ų | 133.8 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | trans | -170.8 | 130.4 | 158.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 144 | R | 33.3 | Very low | 32.7 | Very low | 235 Ų | 235 | 139.8 Ų | 139.8 | 89% | 0.887 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 159.6 | 159.6 | -77.9 | 172.9 | 71.8 | -179.2 | 3.9 | 109.4 | ||
| 145 | P | 36.8 | Very low | 32.5 | Very low | 127 Ų | 127 | 137.7 Ų | 137.7 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 151.3 | -175.1 | 30.7 | -36 | 0 | 0 | 0 | 112.9 | ||
| 146 | A | 29.8 | Very low | 32.2 | Very low | 97 Ų | 97 | 135 Ų | 135 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 136.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 147 | A | 32.5 | Very low | 31.4 | Very low | 103 Ų | 103 | 133.3 Ų | 133.3 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 154.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 148 | V | 30 | Very low | 31.5 | Very low | 134 Ų | 134 | 130.7 Ų | 130.7 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 132.3 | -177.7 | 176.8 | 0 | 0 | 0 | 0 | 110.3 | ||
| 149 | C | 28.3 | Very low | 32.4 | Very low | 126 Ų | 126 | 132.8 Ų | 132.8 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | trans | -108.6 | 130.3 | 167.6 | -71.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 150 | S | 29.6 | Very low | 32.2 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -87.9 | 151.1 | 174.1 | -65.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 151 | P | 42.8 | Very low | 32.1 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 77% | 0.766 | 82% | 0.817 | S | S | * | * | trans | -111 | 137.5 | -174.5 | 37.9 | -30.5 | 0 | 0 | 0 | 115.5 | ||||
| 152 | S | 28.7 | Very low | 32.4 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | trans | 177.1 | 154.7 | 148.8 | -86.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 153 | A | 32.2 | Very low | 33.2 | Very low | 75 Ų | 75 | 131.6 Ų | 131.6 | 62% | 0.62 | 81% | 0.812 | S | S | * | * | cis | -172.5 | 149 | -24.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 154 | R | 32.7 | Very low | 33 | Very low | 240 Ų | 240 | 131.3 Ų | 131.3 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | trans | 69 | 153.3 | 158.9 | -64.6 | 176.3 | -176.2 | -176.8 | 2.6 | 116.7 | ||||
| 155 | V | 29.1 | Very low | 32.7 | Very low | 116 Ų | 116 | 123.4 Ų | 123.4 | 70% | 0.703 | 80% | 0.801 | S | S | * | * | cis | -169.5 | 160.4 | -6.8 | 124.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 156 | L | 29.3 | Very low | 33 | Very low | 176 Ų | 176 | 122.9 Ų | 122.9 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | 69.9 | 140.1 | 162.4 | -86.4 | 159.6 | 0 | 0 | 0 | 120.6 | ||||
| 157 | G | 26.4 | Very low | 33 | Very low | 66 Ų | 66 | 126.5 Ų | 126.5 | 68% | 0.68 | 80% | 0.803 | S | S | * | * | trans | -169.8 | -90.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 158 | S | 33.3 | Very low | 32.9 | Very low | 121 Ų | 121 | 125.6 Ų | 125.6 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | 66.5 | 174.7 | -175.6 | -49.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 159 | P | 49 | Very low | 33.4 | Very low | 120 Ų | 120 | 125.5 Ų | 125.5 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | -137.1 | 177 | -89.1 | 40.4 | -21.9 | 0 | 0 | 0 | 117.5 | |||||
| 160 | A | 27.6 | Very low | 33.4 | Very low | 98 Ų | 98 | 125.2 Ų | 125.2 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | 76.6 | 132.3 | 155.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 161 | R | 28.1 | Very low | 33.4 | Very low | 235 Ų | 235 | 124.2 Ų | 124.2 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | 169.6 | 109 | 100.9 | -174.1 | 173.4 | -174.5 | -173.6 | 0.8 | 113.1 | |||||
| 162 | S | 35.8 | Very low | 32.8 | Very low | 115 Ų | 115 | 123.1 Ų | 123.1 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -85.8 | 155.5 | 156.3 | -47.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 163 | P | 48.6 | Very low | 32.8 | Very low | 118 Ų | 118 | 121.9 Ų | 121.9 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | -147.5 | -178.6 | 97.5 | 36.7 | -18 | 0 | 0 | 0 | 111.8 | |||||
| 164 | A | 28.5 | Very low | 32.6 | Very low | 96 Ų | 96 | 125.9 Ų | 125.9 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | cis | -156.7 | 172.1 | -10.2 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 165 | G | 27.6 | Very low | 32.4 | Very low | 69 Ų | 69 | 120.1 Ų | 120.1 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | -79.6 | -142.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 166 | P | 43.8 | Very low | 32.4 | Very low | 116 Ų | 116 | 119.8 Ų | 119.8 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | cis | -147.1 | 170.1 | 7 | 43 | -23.3 | 0 | 0 | 0 | 118.3 | ||||
| 167 | L | 28.2 | Very low | 32.3 | Very low | 173 Ų | 173 | 117.7 Ų | 117.7 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | trans | 61.1 | 146.8 | 141.4 | -68.1 | 164.3 | 0 | 0 | 0 | 123.4 | ||||
| 168 | A | 32.1 | Very low | 32.4 | Very low | 85 Ų | 85 | 120 Ų | 120 | 70% | 0.702 | 80% | 0.803 | S | S | * | * | trans | -84.2 | 179.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 169 | P | 40.6 | Very low | 32.1 | Very low | 131 Ų | 131 | 120.7 Ų | 120.7 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | -147.5 | 168.4 | 96.5 | 39 | -23.2 | 0 | 0 | 0 | 116.6 | |||||
| 170 | S | 28.2 | Very low | 31.1 | Very low | 121 Ų | 121 | 120.3 Ų | 120.3 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -90.6 | 152.1 | 174.9 | -47.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 171 | A | 29.8 | Very low | 31.1 | Very low | 95 Ų | 95 | 122 Ų | 122 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -176.4 | 124.6 | 135.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 172 | A | 29.1 | Very low | 31.1 | Very low | 96 Ų | 96 | 116.2 Ų | 116.2 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | 62.3 | 143.7 | 128.6 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 173 | S | 29 | Very low | 30.7 | Very low | 97 Ų | 97 | 116.7 Ų | 116.7 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | cis | -171.9 | 166.7 | -11.2 | 51.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 174 | L | 28.8 | Very low | 29.7 | Very low | 159 Ų | 159 | 117.2 Ų | 117.2 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | 67.3 | 132.7 | 164.4 | -45.5 | -175.2 | 0 | 0 | 0 | 116.7 | ||||
| 175 | S | 27.7 | Very low | 29.8 | Very low | 120 Ų | 120 | 123.7 Ų | 123.7 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | cis | -144.8 | 159.3 | 45 | -59.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 176 | S | 28.4 | Very low | 29.7 | Very low | 109 Ų | 109 | 125.9 Ų | 125.9 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | -93 | 147.6 | -174.1 | 52 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 177 | S | 28.7 | Very low | 29 | Very low | 131 Ų | 131 | 125.5 Ų | 125.5 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | trans | -157.7 | 122 | 147.8 | -79.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 178 | S | 28.1 | Very low | 29.1 | Very low | 114 Ų | 114 | 122.9 Ų | 122.9 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | -122.8 | 126.9 | -179.5 | 53.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 179 | T | 26.8 | Very low | 29.1 | Very low | 137 Ų | 137 | 122.9 Ų | 122.9 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | trans | -144.4 | 118.7 | 158.8 | -46.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 180 | S | 27.8 | Very low | 29 | Very low | 112 Ų | 112 | 127.8 Ų | 127.8 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | trans | -82.1 | 136 | 168.1 | 51.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 181 | T | 27.1 | Very low | 29.3 | Very low | 133 Ų | 133 | 131 Ų | 131 | 82% | 0.816 | 81% | 0.805 | S | S | * | * | trans | -132.8 | 117 | 155.1 | 36.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 182 | S | 28.7 | Very low | 29.5 | Very low | 114 Ų | 114 | 133.5 Ų | 133.5 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | -74.7 | 137 | 168.5 | 50.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 183 | T | 27.6 | Very low | 29.7 | Very low | 124 Ų | 124 | 135.2 Ų | 135.2 | 76% | 0.761 | 81% | 0.805 | S | S | * | * | trans | -133.9 | 114.2 | 157.1 | -46 | 0 | 0 | 0 | 0 | 110.1 | Y185 | T183-Y185 PolarHBondContact O-N 3.46Š| ||
| 184 | T | 27.5 | Very low | 30.2 | Very low | 129 Ų | 129 | 133.9 Ų | 133.9 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | -64.1 | 122 | 175.5 | 44.8 | 0 | 0 | 0 | 0 | 111.6 | S186 | T184-S186 PolarHBondContact O-N 2.97Š| ||
| 185 | Y | 30.1 | Very low | 30.9 | Very low | 232 Ų | 232 | 131.5 Ų | 131.5 | 91% | 0.91 | 80% | 0.799 | S | S | * | * | trans | -77.5 | 114.7 | 161.4 | -84.4 | -86.7 | 0 | 0 | 0 | 109.4 | T183 | T183-Y185 PolarHBondContact O-N 3.46Š| ||
| 186 | S | 26.6 | Very low | 31.4 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 134.1 | -174.9 | -165.4 | 0 | 0 | 0 | 0 | 111.5 | T184 | T184-S186 PolarHBondContact O-N 2.97Š|
| 187 | S | 29.3 | Very low | 31.7 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 138.8 | 175.3 | 43.5 | 0 | 0 | 0 | 0 | 111.1 | A189 | S187-A189 PolarHBondContact O-N 2.91Å; S187-A189 VanDerWaalsContact O-N 3.15Å |
| 188 | S | 29.3 | Very low | 32 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 118.4 | 179.4 | -68 | 0 | 0 | 0 | 0 | 111.4 | R190 | S188-R190 PolarHBondContact O-N 3.06Š|
| 189 | A | 31.5 | Very low | 32.1 | Very low | 86 Ų | 86 | 140 Ų | 140 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 117.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | S187 F191 | S187-A189 PolarHBondContact O-N 2.91Å; S187-A189 VanDerWaalsContact O-N 3.15Å; A189-F191 PolarHBondContact O-N 2.58Å; A189-F191 VanDerWaalsContact O-N 3.15Å |
| 190 | R | 39.3 | Very low | 32.4 | Very low | 233 Ų | 233 | 138.3 Ų | 138.3 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | trans | -65.3 | 111.3 | 171.3 | -79.9 | 178.6 | -83.5 | -152.3 | -5.7 | 108.7 | S188 M192 | S188-R190 PolarHBondContact O-N 3.06Å; R190-M192 PolarHBondContact O-N 3.5Å | ||
| 191 | F | 34.5 | Very low | 32.6 | Very low | 190 Ų | 190 | 141.1 Ų | 141.1 | 83% | 0.833 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -65 | 118.8 | 167.1 | -86.5 | -89.7 | 0 | 0 | 0 | 109.4 | A189 | A189-F191 PolarHBondContact O-N 2.58Å; A189-F191 VanDerWaalsContact O-N 3.15Å |
| 192 | M | 34.5 | Very low | 32.7 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 138.4 | 164.8 | -67.9 | -91.5 | 83.6 | 0 | 0 | 108.8 | R190 G194 | R190-M192 PolarHBondContact O-N 3.5Å; M192-G194 PolarHBondContact O-N 2.97Å |
| 193 | P | 32.8 | Very low | 33.1 | Very low | 132 Ų | 132 | 145.4 Ų | 145.4 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 121.3 | 174.3 | -14.5 | 29 | 0 | 0 | 0 | 110.3 | ||
| 194 | G | 39.5 | Very low | 33.7 | Very low | 70 Ų | 70 | 150.7 Ų | 150.7 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 145 | -13.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | M192 I196 | M192-G194 PolarHBondContact O-N 2.97Å; G194-I196 PolarHBondContact O-N 3.08Å; G194-I196 VanDerWaalsContact O-N 3.11Å |
| 195 | T | 43.9 | Very low | 34.2 | Very low | 109 Ų | 109 | 152.6 Ų | 152.6 | 67% | 0.669 | 80% | 0.8 | S | S | * | * | trans | -73.7 | 108.3 | -175.7 | -44.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 196 | I | 37.1 | Very low | 34.5 | Very low | 149 Ų | 149 | 144.8 Ų | 144.8 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | trans | -63.2 | 133.8 | 171.3 | -58.8 | 169.6 | 0 | 0 | 0 | 108.8 | G194 S198 | G194-I196 PolarHBondContact O-N 3.08Å; G194-I196 VanDerWaalsContact O-N 3.11Å; I196-S198 PolarHBondContact O-N 3.13Å | ||
| 197 | W | 35.7 | Very low | 35.5 | Very low | 209 Ų | 209 | 146 Ų | 146 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | trans | -75.1 | 114.5 | 177.8 | -76.5 | 12.4 | 0 | 0 | 0 | 110.6 | ||||
| 198 | S | 34.9 | Very low | 35.9 | Very low | 101 Ų | 101 | 144.1 Ų | 144.1 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | -100 | 115.6 | 161.1 | 51.4 | 0 | 0 | 0 | 0 | 109.7 | I196 S200 | I196-S198 PolarHBondContact O-N 3.13Å; S198-S200 PolarHBondContact O-N 3.15Å | ||
| 199 | F | 30.2 | Very low | 36.4 | Very low | 194 Ų | 194 | 146.8 Ų | 146.8 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | -81.8 | 81.5 | 179.5 | -169.3 | -94.9 | 0 | 0 | 0 | 110.4 | H201 | F199-H201 PolarHBondContact O-N 2.8Š| ||
| 200 | S | 31.7 | Very low | 36.6 | Very low | 100 Ų | 100 | 150.2 Ų | 150.2 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | trans | -83.3 | 111.8 | 179.4 | -63 | 0 | 0 | 0 | 0 | 111.3 | S198 A202 | S198-S200 PolarHBondContact O-N 3.15Å; S200-A202 PolarHBondContact O-N 3.28Å | ||
| 201 | H | 33.5 | Very low | 36.7 | Very low | 171 Ų | 171 | 144.6 Ų | 144.6 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | trans | -72.6 | 101.5 | 178.5 | -150.8 | 35.9 | 0 | 0 | 0 | 110.4 | F199 R203 | F199-H201 PolarHBondContact O-N 2.8Å; H201-R203 PolarHBondContact O-N 2.92Å; H201-R203 VanDerWaalsContact O-N 3.11Å | ||
| 202 | A | 28.7 | Very low | 36.7 | Very low | 103 Ų | 103 | 141 Ų | 141 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | trans | -71.8 | 103.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S200 | S200-A202 PolarHBondContact O-N 3.28Š| ||
| 203 | R | 36.8 | Very low | 37.3 | Very low | 234 Ų | 234 | 142.5 Ų | 142.5 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -99.6 | 114.1 | 162.8 | -159.9 | -177.8 | -60.8 | -99.2 | 1.6 | 109.7 | H201 L205 | H201-R203 PolarHBondContact O-N 2.92Å; H201-R203 VanDerWaalsContact O-N 3.11Å; R203-L205 PolarHBondContact O-N 3.23Å | ||
| 204 | R | 41 | Very low | 37.4 | Very low | 235 Ų | 235 | 142.1 Ų | 142.1 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | trans | -70.5 | 113.8 | -176.6 | 179.7 | -165.1 | -59.1 | -95.4 | 1 | 111.9 | ||||
| 205 | L | 37.6 | Very low | 37.7 | Very low | 170 Ų | 170 | 148.3 Ų | 148.3 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | trans | -139.3 | 159.8 | 157.1 | -80 | 178 | 0 | 0 | 0 | 110.2 | R203 | R203-L205 PolarHBondContact O-N 3.23Š| ||
| 206 | G | 35.4 | Very low | 37.2 | Very low | 68 Ų | 68 | 145.7 Ų | 145.7 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | -78.5 | -172.7 | -159 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 207 | P | 49 | Very low | 37.6 | Very low | 141 Ų | 141 | 144.9 Ų | 144.9 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | trans | -88.7 | 139.4 | -161.7 | 34.1 | -34.9 | 0 | 0 | 0 | 114.2 | ||||
| 208 | G | 37.1 | Very low | 38.1 | Very low | 68 Ų | 68 | 138.5 Ų | 138.5 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | trans | 160.4 | 115.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 209 | L | 39.5 | Very low | 38.2 | Very low | 173 Ų | 173 | 141 Ų | 141 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | 63.9 | 121.6 | 149.3 | -63.5 | 163.7 | 0 | 0 | 0 | 121.1 | ||||
| 210 | E | 35.3 | Very low | 38.6 | Very low | 158 Ų | 158 | 136.5 Ų | 136.5 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | trans | 52.7 | 127.2 | 148.1 | -78.9 | -64.4 | 110.3 | 0 | 0 | 122.1 | T212 | E210-T212 PolarHBondContact O-N 3.31Š| ||
| 211 | P | 42.3 | Very low | 39.3 | Very low | 116 Ų | 116 | 142.5 Ų | 142.5 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | -80.6 | 80.9 | 179.4 | 35.3 | -35.5 | 0 | 0 | 0 | 112.4 | L213 | P211-L213 PolarHBondContact O-N 3.03Š| ||
| 212 | T | 34.6 | Very low | 40 | Very low | 115 Ų | 115 | 139 Ų | 139 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | -78.5 | 117.7 | 169 | -57 | 0 | 0 | 0 | 0 | 110.6 | E210 V214 | E210-T212 PolarHBondContact O-N 3.31Å; T212-V214 HydrophobicContact CG2-CG2 4.16Å; T212-V214 PolarHBondContact O-N 3.12Å | ||
| 213 | L | 47.4 | Very low | 41.1 | Very low | 177 Ų | 177 | 139.6 Ų | 139.6 | 93% | 0.927 | 78% | 0.779 | S | S | * | * | trans | -61.7 | 91.8 | 170.9 | -87.7 | 160 | 0 | 0 | 0 | 111.1 | P211 | P211-L213 PolarHBondContact O-N 3.03Š| ||
| 214 | V | 34.5 | Very low | 42.5 | Very low | 123 Ų | 123 | 132.8 Ų | 132.8 | 75% | 0.745 | 77% | 0.765 | S | S | * | * | trans | -98.9 | 100 | 168.2 | -178.8 | 0 | 0 | 0 | 0 | 109.2 | T212 G216 | T212-V214 HydrophobicContact CG2-CG2 4.16Å; T212-V214 PolarHBondContact O-N 3.12Å; V214-G216 VanDerWaalsContact C-N 3.33Å; V214-G216 PolarHBondContact O-N 3.27Å | ||
| 215 | Q | 45.9 | Very low | 43.4 | Very low | 200 Ų | 200 | 129.1 Ų | 129.1 | 94% | 0.935 | 76% | 0.763 | S | S | * | * | trans | -73.3 | 85.3 | 173.6 | -164.4 | 171.6 | 8.3 | 0 | 0 | 109.4 | ||||
| 216 | G | 32.1 | Very low | 44.9 | Very low | 55 Ų | 55 | 122.7 Ų | 122.7 | 57% | 0.567 | 74% | 0.738 | S | S | * | * | trans | -79.6 | 151.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V214 | V214-G216 VanDerWaalsContact C-N 3.33Å; V214-G216 PolarHBondContact O-N 3.27Å | ||
| 217 | P | 46.8 | Very low | 46.8 | Very low | 132 Ų | 132 | 121.8 Ų | 121.8 | 86% | 0.857 | 72% | 0.719 | S | S | * | * | trans | -82.1 | 136.2 | -167.1 | -9.9 | 27.7 | 0 | 0 | 0 | 113.8 | L219 | P217-L219 PolarHBondContact O-N 3.33Š| ||
| 218 | G | 45.8 | Very low | 47.9 | Very low | 75 Ų | 75 | 116.4 Ų | 116.4 | 77% | 0.773 | 69% | 0.689 | S | S | * | * | trans | 68.7 | 37.3 | 137.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 219 | L | 36.7 | Very low | 49.8 | Very low | 154 Ų | 154 | 117.8 Ų | 117.8 | 81% | 0.806 | 68% | 0.684 | S | S | * | * | trans | -120.2 | 74.2 | 158.8 | -71.3 | 176.6 | 0 | 0 | 0 | 110.1 | P217 W221 | P217-L219 PolarHBondContact O-N 3.33Å; L219-W221 PolarHBondContact O-N 3.5Å | ||
| 220 | S | 39.1 | Very low | 51.6 | Low | 98 Ų | 98 | 115.3 Ų | 115.3 | 69% | 0.685 | 67% | 0.667 | S | S | * | * | trans | -60.6 | 106.5 | 155.2 | 51.1 | 0 | 0 | 0 | 0 | 107 | V222 | S220-V222 PolarHBondContact O-N 2.82Š| ||
| 221 | W | 46.3 | Very low | 53.8 | Low | 226 Ų | 226 | 111.9 Ų | 111.9 | 86% | 0.856 | 65% | 0.653 | S | S | * | * | trans | -63.9 | 85.9 | 153.3 | -78.1 | 88.2 | 0 | 0 | 0 | 106.1 | L219 H223 | L219-W221 PolarHBondContact O-N 3.5Å; W221-H223 PolarHBondContact O-CD2 2.55Å; W221-H223 PolarHBondContact O-N 3.18Å | ||
| 222 | V | 49.1 | Very low | 55.7 | Low | 99 Ų | 99 | 112 Ų | 112 | 60% | 0.6 | 65% | 0.648 | S | S | * | * | trans | -63.3 | 94.4 | 162.4 | -176.1 | 0 | 0 | 0 | 0 | 103.9 | S220 | S220-V222 PolarHBondContact O-N 2.82Š| ||
| 223 | H | 51.4 | Low | 58.1 | Low | 114 Ų | 114 | 109.8 Ų | 109.8 | 53% | 0.528 | 63% | 0.634 | S | S | . | * | P | Polyproline II helix | trans | -49.3 | 129 | 164.7 | -75.3 | -95.2 | 0 | 0 | 0 | 106.1 | W221 D225 V227 | W221-H223 PolarHBondContact O-CD2 2.55Å; W221-H223 PolarHBondContact O-N 3.18Å; H223-D225 PolarHBondContact O-N 3.28Å; H223-D225 VanDerWaalsContact O-N 3.16Å; H223-V227 HydrophobicContact CB-CB 4.41Å |
| 224 | P | 64.9 | Low | 60 | Low | 91 Ų | 91 | 105.3 Ų | 105.3 | 59% | 0.591 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 128.5 | -178.5 | -26.1 | 32.4 | 0 | 0 | 0 | 109.2 | G226 V227 | P224-G226 PolarHBondContact O-N 2.7Å; P224-V227 HydrophobicContact CB-CG2 3.95Å; P224-V227 HydrophobicContact CG-CG2 4.21Å; P224-V227 WeakPolarHBondContact O-CB 3.5Å; P224-V227 WeakPolarHBondContact O-CG2 3.39Å; P224-V227 PolarHBondContact O-N 3.34Å |
| 225 | D | 61 | Low | 62.6 | Low | 159 Ų | 159 | 101 Ų | 101 | 85% | 0.85 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.5 | 118.3 | -164.2 | -73.7 | -44.9 | 0 | 0 | 0 | 111.1 | H223 | H223-D225 PolarHBondContact O-N 3.28Å; H223-D225 VanDerWaalsContact O-N 3.16Å |
| 226 | G | 69.1 | Low | 64.8 | Low | 35 Ų | 35 | 94.7 Ų | 94.7 | 36% | 0.361 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 103.1 | -17.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | P224 G228 V229 Q230 | P224-G226 PolarHBondContact O-N 2.7Å; G226-G228 PolarHBondContact O-N 3.48Å; G226-V229 PolarHBondContact O-N 3.48Å; G226-Q230 WeakPolarHBondContact O-CG 3.34Å; G226-Q230 PolarHBondContact O-N 2.93Å |
| 227 | V | 75.3 | Confident | 67.7 | Low | 49 Ų | 49 | 97.2 Ų | 97.2 | 30% | 0.297 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.6 | -39.2 | 178.5 | 170.8 | 0 | 0 | 0 | 0 | 111.9 | H223 P224 Q230 I231 | H223-V227 HydrophobicContact CB-CB 4.41Å; P224-V227 HydrophobicContact CB-CG2 3.95Å; P224-V227 HydrophobicContact CG-CG2 4.21Å; P224-V227 WeakPolarHBondContact O-CB 3.5Å; P224-V227 WeakPolarHBondContact O-CG2 3.39Å; P224-V227 PolarHBondContact O-N 3.34Å; V227-Q230 PolarHBondContact O-N 2.84Å; V227-I231 HydrophobicContact CG1-CD1 3.99Å; V227-I231 VanDerWaalsContact O-CG1 3.32Å; V227-I231 WeakPolarHBondContact O-CG1 3.29Å; V227-I231 PolarHBondContact O-N 3.07Å |
| 228 | G | 72.6 | Confident | 69.9 | Low | 27 Ų | 27 | 94.5 Ų | 94.5 | 28% | 0.278 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.1 | -46.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G226 Q230 I231 D232 | G226-G228 PolarHBondContact O-N 3.48Å; G228-Q230 VanDerWaalsContact C-N 3.32Å; G228-Q230 PolarHBondContact O-N 2.99Å; G228-I231 WeakPolarHBondContact O-CB 3.44Å; G228-I231 PolarHBondContact O-N 3.38Å; G228-I231 VanDerWaalsContact O-N 3.1Å; G228-D232 PolarHBondContact O-N 3.48Å |
| 229 | V | 75.8 | Confident | 72.2 | Confident | 98 Ų | 98 | 96.6 Ų | 96.6 | 59% | 0.594 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.2 | -38.1 | 178.5 | -175.9 | 0 | 0 | 0 | 0 | 111.8 | G226 D232 T233 | G226-V229 PolarHBondContact O-N 3.48Å; V229-D232 PolarHBondContact O-N 2.82Å; V229-T233 WeakPolarHBondContact O-CB 3.34Å; V229-T233 PolarHBondContact O-N 2.92Å; V229-T233 PolarHBondContact O-OG1 3.25Å |
| 230 | Q | 77.1 | Confident | 75 | Confident | 121 Ų | 121 | 91.8 Ų | 91.8 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.9 | -43.6 | 173.2 | -73.4 | 176.6 | -1.7 | 0 | 0 | 111.7 | G226 V227 G228 T233 I234 | G226-Q230 WeakPolarHBondContact O-CG 3.34Å; G226-Q230 PolarHBondContact O-N 2.93Å; V227-Q230 PolarHBondContact O-N 2.84Å; G228-Q230 VanDerWaalsContact C-N 3.32Å; G228-Q230 PolarHBondContact O-N 2.99Å; Q230-T233 PolarHBondContact O-N 3.38Å; Q230-I234 HydrophobicContact CB-CD1 4.36Å; Q230-I234 VanDerWaalsContact O-CB 3.29Å; Q230-I234 WeakPolarHBondContact O-CB 3.49Å; Q230-I234 WeakPolarHBondContact O-CD1 3.43Å; Q230-I234 WeakPolarHBondContact O-CG1 3.32Å; Q230-I234 PolarHBondContact O-N 3.46Å |
| 231 | I | 82.4 | Confident | 77.8 | Confident | 86 Ų | 86 | 93 Ų | 93 | 44% | 0.441 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 175.7 | -66.9 | 162.2 | 0 | 0 | 0 | 110.5 | V227 G228 T233 I234 T235 | V227-I231 HydrophobicContact CG1-CD1 3.99Å; V227-I231 VanDerWaalsContact O-CG1 3.32Å; V227-I231 WeakPolarHBondContact O-CG1 3.29Å; V227-I231 PolarHBondContact O-N 3.07Å; G228-I231 WeakPolarHBondContact O-CB 3.44Å; G228-I231 PolarHBondContact O-N 3.38Å; G228-I231 VanDerWaalsContact O-N 3.1Å; I231-T233 PolarHBondContact O-N 2.95Å; I231-I234 PolarHBondContact O-N 3.45Å; I231-T235 WeakPolarHBondContact O-CB 3.41Å; I231-T235 PolarHBondContact O-N 2.89Å; I231-T235 PolarHBondContact O-OG1 3.46Å |
| 232 | D | 81.1 | Confident | 80.1 | Confident | 119 Ų | 119 | 89.7 Ų | 89.7 | 64% | 0.636 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.7 | -26.7 | 179 | -69.2 | -29.3 | 0 | 0 | 0 | 113 | G228 V229 P236 | G228-D232 PolarHBondContact O-N 3.48Å; V229-D232 PolarHBondContact O-N 2.82Å; D232-P236 WeakPolarHBondContact O-CD 3.36Å; D232-P236 VanDerWaalsContact O-CG 3.28Å; D232-P236 WeakPolarHBondContact O-CG 3.37Å |
| 233 | T | 84.9 | Confident | 82.4 | Confident | 68 Ų | 68 | 90.5 Ų | 90.5 | 42% | 0.417 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -85 | -46.6 | 175.6 | -52.2 | 0 | 0 | 0 | 0 | 112.2 | V229 Q230 I231 T235 P236 E237 | V229-T233 WeakPolarHBondContact O-CB 3.34Å; V229-T233 PolarHBondContact O-N 2.92Å; V229-T233 PolarHBondContact O-OG1 3.25Å; Q230-T233 PolarHBondContact O-N 3.38Å; I231-T233 PolarHBondContact O-N 2.95Å; T233-T235 PolarHBondContact O-N 3.39Å; T233-P236 WeakPolarHBondContact O-CD 3.43Å; T233-P236 VanDerWaalsContact O-CG 3.25Å; T233-P236 WeakPolarHBondContact O-CG 3.36Å; T233-E237 WeakPolarHBondContact O-CG 3.27Å |
| 234 | I | 88.8 | Confident | 84.6 | Confident | 83 Ų | 83 | 89.2 Ų | 89.2 | 43% | 0.426 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.5 | -35 | -176.4 | -68.6 | 165.2 | 0 | 0 | 0 | 111.7 | Q230 I231 E237 I238 | Q230-I234 HydrophobicContact CB-CD1 4.36Å; Q230-I234 VanDerWaalsContact O-CB 3.29Å; Q230-I234 WeakPolarHBondContact O-CB 3.49Å; Q230-I234 WeakPolarHBondContact O-CD1 3.43Å; Q230-I234 WeakPolarHBondContact O-CG1 3.32Å; Q230-I234 PolarHBondContact O-N 3.46Å; I231-I234 PolarHBondContact O-N 3.45Å; I234-E237 PolarHBondContact O-N 2.94Å; I234-I238 HydrophobicContact CG2-CD1 3.57Å; I234-I238 HydrophobicContact CG2-CG1 4.06Å; I234-I238 WeakPolarHBondContact O-CG1 3.37Å; I234-I238 PolarHBondContact O-N 2.98Å |
| 235 | T | 89.4 | Confident | 86.1 | Confident | 31 Ų | 31 | 88.7 Ų | 88.7 | 19% | 0.19 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -63 | -46.6 | -177.5 | -49.8 | 0 | 0 | 0 | 0 | 113.9 | I231 T233 R239 | I231-T235 WeakPolarHBondContact O-CB 3.41Å; I231-T235 PolarHBondContact O-N 2.89Å; I231-T235 PolarHBondContact O-OG1 3.46Å; T233-T235 PolarHBondContact O-N 3.39Å; T235-R239 WeakPolarHBondContact O-CG 3.47Å; T235-R239 PolarHBondContact O-N 2.93Å |
| 236 | P | 92.2 | Very high | 87.8 | Confident | 68 Ų | 68 | 83.4 Ų | 83.4 | 44% | 0.442 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.8 | -33.6 | 173 | 25.4 | -33.4 | 0 | 0 | 0 | 113.3 | D232 T233 R239 A240 | D232-P236 WeakPolarHBondContact O-CD 3.36Å; D232-P236 VanDerWaalsContact O-CG 3.28Å; D232-P236 WeakPolarHBondContact O-CG 3.37Å; T233-P236 WeakPolarHBondContact O-CD 3.43Å; T233-P236 VanDerWaalsContact O-CG 3.25Å; T233-P236 WeakPolarHBondContact O-CG 3.36Å; P236-R239 PolarHBondContact O-N 2.79Å; P236-A240 PolarHBondContact O-N 3.36Å |
| 237 | E | 92.4 | Very high | 89.1 | Confident | 109 Ų | 109 | 86.8 Ų | 86.8 | 51% | 0.509 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 173.4 | -72.3 | 177.4 | -173.1 | 0 | 0 | 111.7 | T233 I234 R239 A240 L241 | T233-E237 WeakPolarHBondContact O-CG 3.27Å; I234-E237 PolarHBondContact O-N 2.94Å; E237-R239 VanDerWaalsContact C-N 3.3Å; E237-R239 PolarHBondContact O-N 3.28Å; E237-A240 WeakPolarHBondContact O-CB 3.44Å; E237-A240 PolarHBondContact O-N 3.39Å; E237-A240 VanDerWaalsContact O-N 3.11Å; E237-L241 WeakPolarHBondContact O-CG 3.41Å; E237-L241 PolarHBondContact O-N 2.87Å |
| 238 | I | 93.4 | Very high | 90.2 | Very high | 74 Ų | 74 | 88.1 Ų | 88.1 | 38% | 0.379 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -57.4 | -42.7 | 174.2 | -72.2 | 172.9 | 0 | 0 | 0 | 111 | I234 L241 Y242 | I234-I238 HydrophobicContact CG2-CD1 3.57Å; I234-I238 HydrophobicContact CG2-CG1 4.06Å; I234-I238 WeakPolarHBondContact O-CG1 3.37Å; I234-I238 PolarHBondContact O-N 2.98Å; I238-L241 PolarHBondContact O-N 3.38Å; I238-Y242 HydrophobicContact CG2-CD2 3.68Å; I238-Y242 HydrophobicContact CG2-CE2 3.49Å; I238-Y242 VanDerWaalsContact CG2-CE2 3.49Å; I238-Y242 WeakPolarHBondContact O-CD2 3.03Å; I238-Y242 PolarHBondContact O-N 2.82Å |
| 239 | R | 93.6 | Very high | 91.4 | Very high | 120 Ų | 120 | 92.2 Ų | 92.2 | 45% | 0.453 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.3 | -40.2 | 175.5 | -70.3 | -176 | -174.2 | 108.9 | 3.4 | 112.4 | T235 P236 E237 Y242 N243 | T235-R239 WeakPolarHBondContact O-CG 3.47Å; T235-R239 PolarHBondContact O-N 2.93Å; P236-R239 PolarHBondContact O-N 2.79Å; E237-R239 VanDerWaalsContact C-N 3.3Å; E237-R239 PolarHBondContact O-N 3.28Å; R239-Y242 PolarHBondContact O-N 3.04Å; R239-N243 VanDerWaalsContact O-CG 3.31Å; R239-N243 PolarHBondContact O-N 2.99Å; R239-N243 PolarHBondContact O-ND2 3.01Å |
| 240 | A | 95.4 | Very high | 92.3 | Very high | 52 Ų | 52 | 94.6 Ų | 94.6 | 43% | 0.43 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | P236 E237 Y242 N243 V244 | P236-A240 PolarHBondContact O-N 3.36Å; E237-A240 WeakPolarHBondContact O-CB 3.44Å; E237-A240 PolarHBondContact O-N 3.39Å; E237-A240 VanDerWaalsContact O-N 3.11Å; A240-Y242 PolarHBondContact O-N 3.43Å; A240-N243 PolarHBondContact O-N 2.8Å; A240-V244 WeakPolarHBondContact O-CG2 3.38Å; A240-V244 PolarHBondContact O-N 2.92Å |
| 241 | L | 96.8 | Very high | 93.2 | Very high | 123 Ų | 123 | 92 Ų | 92 | 64% | 0.644 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.8 | -42.1 | 175.9 | -68.3 | 174.3 | 0 | 0 | 0 | 112.4 | E237 I238 N243 V244 L245 | E237-L241 WeakPolarHBondContact O-CG 3.41Å; E237-L241 PolarHBondContact O-N 2.87Å; I238-L241 PolarHBondContact O-N 3.38Å; L241-N243 VanDerWaalsContact C-N 3.34Å; L241-N243 PolarHBondContact O-N 3.06Å; L241-V244 PolarHBondContact O-N 3.18Å; L241-L245 WeakPolarHBondContact O-CB 3.49Å; L241-L245 PolarHBondContact O-N 2.89Å |
| 242 | Y | 96.2 | Very high | 93.9 | Very high | 158 Ų | 158 | 95 Ų | 95 | 62% | 0.62 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63 | -38.6 | 173.6 | -82.3 | -61.7 | 0 | 0 | 0 | 112.8 | I238 R239 A240 L245 A246 | I238-Y242 HydrophobicContact CG2-CD2 3.68Å; I238-Y242 HydrophobicContact CG2-CE2 3.49Å; I238-Y242 VanDerWaalsContact CG2-CE2 3.49Å; I238-Y242 WeakPolarHBondContact O-CD2 3.03Å; I238-Y242 PolarHBondContact O-N 2.82Å; R239-Y242 PolarHBondContact O-N 3.04Å; A240-Y242 PolarHBondContact O-N 3.43Å; Y242-L245 PolarHBondContact O-N 3.42Å; Y242-A246 WeakPolarHBondContact O-CB 3.34Å; Y242-A246 PolarHBondContact O-N 3.09Å |
| 243 | N | 96.8 | Very high | 94.7 | Very high | 115 Ų | 115 | 92.8 Ų | 92.8 | 62% | 0.615 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -66.8 | -41.2 | 176 | -73.1 | -24.4 | 0 | 0 | 0 | 112.2 | R239 A240 L241 A246 K247 | R239-N243 VanDerWaalsContact O-CG 3.31Å; R239-N243 PolarHBondContact O-N 2.99Å; R239-N243 PolarHBondContact O-ND2 3.01Å; A240-N243 PolarHBondContact O-N 2.8Å; L241-N243 VanDerWaalsContact C-N 3.34Å; L241-N243 PolarHBondContact O-N 3.06Å; N243-A246 PolarHBondContact O-N 2.88Å; N243-K247 PolarHBondContact O-N 2.99Å |
| 244 | V | 97.9 | Very high | 95.2 | Very high | 87 Ų | 87 | 92.7 Ų | 92.7 | 53% | 0.527 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.3 | -46.6 | 173.8 | 172 | 0 | 0 | 0 | 0 | 110.4 | A240 L241 A246 K247 V248 | A240-V244 WeakPolarHBondContact O-CG2 3.38Å; A240-V244 PolarHBondContact O-N 2.92Å; L241-V244 PolarHBondContact O-N 3.18Å; V244-A246 VanDerWaalsContact C-N 3.31Å; V244-A246 PolarHBondContact O-N 3.45Å; V244-K247 WeakPolarHBondContact O-CB 3.34Å; V244-K247 PolarHBondContact O-N 3.17Å; V244-K247 VanDerWaalsContact O-N 3.1Å; V244-V248 HydrophobicContact CG1-CG2 4.4Å; V244-V248 WeakPolarHBondContact O-CG2 3.5Å; V244-V248 PolarHBondContact O-N 3.36Å |
| 245 | L | 96.1 | Very high | 95.5 | Very high | 81 Ų | 81 | 96.5 Ų | 96.5 | 42% | 0.424 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60 | -40.2 | 176 | -179.5 | 62.1 | 0 | 0 | 0 | 112.1 | L241 Y242 K249 | L241-L245 WeakPolarHBondContact O-CB 3.49Å; L241-L245 PolarHBondContact O-N 2.89Å; Y242-L245 PolarHBondContact O-N 3.42Å; L245-K249 HydrophobicContact CG-CD 4.4Å; L245-K249 WeakPolarHBondContact O-CB 3.09Å; L245-K249 VanDerWaalsContact O-CG 3.31Å; L245-K249 WeakPolarHBondContact O-CG 3.15Å; L245-K249 PolarHBondContact O-N 3.15Å |
| 246 | A | 96.5 | Very high | 95.8 | Very high | 47 Ų | 47 | 100.4 Ų | 100.4 | 39% | 0.388 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.2 | -34.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y242 N243 V244 R250 | Y242-A246 WeakPolarHBondContact O-CB 3.34Å; Y242-A246 PolarHBondContact O-N 3.09Å; N243-A246 PolarHBondContact O-N 2.88Å; V244-A246 VanDerWaalsContact C-N 3.31Å; V244-A246 PolarHBondContact O-N 3.45Å; A246-R250 WeakPolarHBondContact O-CG 3.49Å; A246-R250 PolarHBondContact O-N 2.98Å; A246-R250 PolarHBondContact O-NE 3.42Å |
| 247 | K | 97.1 | Very high | 96 | Very high | 106 Ų | 106 | 102.6 Ų | 102.6 | 46% | 0.461 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.3 | -53.3 | 172.6 | -179.7 | 179.8 | 167.8 | -178.7 | 0 | 111.3 | N243 V244 K249 R250 E251 | N243-K247 PolarHBondContact O-N 2.99Å; V244-K247 WeakPolarHBondContact O-CB 3.34Å; V244-K247 PolarHBondContact O-N 3.17Å; V244-K247 VanDerWaalsContact O-N 3.1Å; K247-K249 VanDerWaalsContact C-N 3.3Å; K247-K249 PolarHBondContact O-N 3.37Å; K247-R250 PolarHBondContact O-N 3.36Å; K247-R250 VanDerWaalsContact O-N 3.11Å; K247-E251 WeakPolarHBondContact CE-OE1 3.43Å; K247-E251 IonicContact NZ-OE1 3.19Å; K247-E251 WeakPolarHBondContact O-CG 3.36Å; K247-E251 PolarHBondContact O-N 2.96Å |
| 248 | V | 98.1 | Very high | 96.1 | Very high | 78 Ų | 78 | 102.8 Ų | 102.8 | 47% | 0.473 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.2 | -39.5 | 179.7 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | V244 E251 R252 | V244-V248 HydrophobicContact CG1-CG2 4.4Å; V244-V248 WeakPolarHBondContact O-CG2 3.5Å; V244-V248 PolarHBondContact O-N 3.36Å; V248-E251 PolarHBondContact O-N 3.02Å; V248-R252 VanDerWaalsContact O-CB 3.32Å; V248-R252 WeakPolarHBondContact O-CB 3.44Å; V248-R252 PolarHBondContact O-N 3.45Å |
| 249 | K | 96.5 | Very high | 96.3 | Very high | 112 Ų | 112 | 106.9 Ų | 106.9 | 49% | 0.487 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 174.7 | -78.3 | 177.7 | 177.5 | -177 | 0 | 112.5 | L245 K247 R252 D253 | L245-K249 HydrophobicContact CG-CD 4.4Å; L245-K249 WeakPolarHBondContact O-CB 3.09Å; L245-K249 VanDerWaalsContact O-CG 3.31Å; L245-K249 WeakPolarHBondContact O-CG 3.15Å; L245-K249 PolarHBondContact O-N 3.15Å; K247-K249 VanDerWaalsContact C-N 3.3Å; K247-K249 PolarHBondContact O-N 3.37Å; K249-R252 WeakPolarHBondContact O-CB 3.49Å; K249-R252 PolarHBondContact O-N 2.92Å; K249-D253 PolarHBondContact O-N 3.05Å |
| 250 | R | 96.3 | Very high | 96.4 | Very high | 148 Ų | 148 | 105 Ų | 105 | 56% | 0.558 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.2 | -44 | 176.6 | -75.2 | -176.4 | -68.3 | 98 | -7.8 | 112 | A246 K247 D253 E254 | A246-R250 WeakPolarHBondContact O-CG 3.49Å; A246-R250 PolarHBondContact O-N 2.98Å; A246-R250 PolarHBondContact O-NE 3.42Å; K247-R250 PolarHBondContact O-N 3.36Å; K247-R250 VanDerWaalsContact O-N 3.11Å; R250-D253 PolarHBondContact O-N 3.41Å; R250-E254 WeakPolarHBondContact O-CB 3.46Å; R250-E254 PolarHBondContact O-N 3.4Å |
| 251 | E | 96.4 | Very high | 96.4 | Very high | 67 Ų | 67 | 107.4 Ų | 107.4 | 31% | 0.313 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 177.2 | -71.1 | 168.9 | 164.9 | 0 | 0 | 111 | K247 V248 D253 E254 Y255 | K247-E251 WeakPolarHBondContact CE-OE1 3.43Å; K247-E251 IonicContact NZ-OE1 3.19Å; K247-E251 WeakPolarHBondContact O-CG 3.36Å; K247-E251 PolarHBondContact O-N 2.96Å; V248-E251 PolarHBondContact O-N 3.02Å; E251-D253 PolarHBondContact O-N 3.28Å; E251-E254 WeakPolarHBondContact O-CB 3.3Å; E251-E254 PolarHBondContact O-N 2.88Å; E251-Y255 HydrophobicContact CB-CE2 4.43Å; E251-Y255 WeakPolarHBondContact O-CD2 3.44Å; E251-Y255 PolarHBondContact O-N 3.42Å |
| 252 | R | 97.1 | Very high | 96.3 | Very high | 149 Ų | 149 | 106.4 Ų | 106.4 | 56% | 0.562 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -57.4 | -46.8 | 172.7 | -174.1 | -74.3 | -52.6 | -111.3 | 6.1 | 112 | V248 K249 E254 Y255 K256 | V248-R252 VanDerWaalsContact O-CB 3.32Å; V248-R252 WeakPolarHBondContact O-CB 3.44Å; V248-R252 PolarHBondContact O-N 3.45Å; K249-R252 WeakPolarHBondContact O-CB 3.49Å; K249-R252 PolarHBondContact O-N 2.92Å; R252-E254 VanDerWaalsContact C-N 3.28Å; R252-E254 PolarHBondContact O-N 2.9Å; R252-Y255 PolarHBondContact O-N 3.07Å; R252-K256 WeakPolarHBondContact O-CB 3.14Å; R252-K256 PolarHBondContact O-N 2.56Å |
| 253 | D | 97.3 | Very high | 96.1 | Very high | 73 Ų | 73 | 104.9 Ų | 104.9 | 39% | 0.39 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.7 | -33.4 | 178.2 | -64.3 | -22.5 | 0 | 0 | 0 | 111.9 | K249 R250 E251 R257 | K249-D253 PolarHBondContact O-N 3.05Å; R250-D253 PolarHBondContact O-N 3.41Å; E251-D253 PolarHBondContact O-N 3.28Å; D253-R257 PolarHBondContact O-N 3.37Å |
| 254 | E | 95.9 | Very high | 96.1 | Very high | 66 Ų | 66 | 102.7 Ų | 102.7 | 31% | 0.308 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -73.1 | -42.4 | 177.4 | -157.2 | -174 | 152.2 | 0 | 0 | 112.6 | R250 E251 R252 R257 R258 | R250-E254 WeakPolarHBondContact O-CB 3.46Å; R250-E254 PolarHBondContact O-N 3.4Å; E251-E254 WeakPolarHBondContact O-CB 3.3Å; E251-E254 PolarHBondContact O-N 2.88Å; R252-E254 VanDerWaalsContact C-N 3.28Å; R252-E254 PolarHBondContact O-N 2.9Å; E254-R257 PolarHBondContact O-N 2.94Å; E254-R258 VanDerWaalsContact CD-NH1 3.34Å; E254-R258 WeakPolarHBondContact O-CG 3.47Å; E254-R258 PolarHBondContact O-N 3.46Å; E254-R258 IonicContact OE1-CZ 3.65Å; E254-R258 IonicContact OE1-NH1 3.61Å; E254-R258 PolarHBondContact OE1-NH1 3.18Å; E254-R258 IonicContact OE1-NH2 2.83Å; E254-R258 PolarHBondContact OE1-NH2 2.93Å |
| 255 | Y | 94.6 | Very high | 95.9 | Very high | 162 Ų | 162 | 101.8 Ų | 101.8 | 64% | 0.635 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -63.5 | -40.9 | 171 | -74.5 | -61.3 | 0 | 0 | 0 | 111.9 | E251 R252 R257 R258 W259 | E251-Y255 HydrophobicContact CB-CE2 4.43Å; E251-Y255 WeakPolarHBondContact O-CD2 3.44Å; E251-Y255 PolarHBondContact O-N 3.42Å; R252-Y255 PolarHBondContact O-N 3.07Å; Y255-R257 PolarHBondContact O-N 3.2Å; Y255-R258 PolarHBondContact O-N 3.4Å; Y255-W259 WeakPolarHBondContact O-CB 3.42Å; Y255-W259 PolarHBondContact O-N 3.13Å |
| 256 | K | 95.2 | Very high | 95.9 | Very high | 113 Ų | 113 | 105.5 Ų | 105.5 | 49% | 0.491 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -58 | -49.5 | 175 | 178.5 | 178 | 167.5 | 179.7 | 0 | 110.9 | R252 W259 E260 | R252-K256 WeakPolarHBondContact O-CB 3.14Å; R252-K256 PolarHBondContact O-N 2.56Å; K256-W259 PolarHBondContact O-N 3.4Å; K256-E260 VanDerWaalsContact CE-CD 3.42Å; K256-E260 WeakPolarHBondContact CE-OE1 3.5Å; K256-E260 IonicContact NZ-OE1 3.64Å; K256-E260 PolarHBondContact NZ-OE1 3.09Å; K256-E260 WeakPolarHBondContact O-CG 3.34Å; K256-E260 PolarHBondContact O-N 2.94Å |
| 257 | R | 96.9 | Very high | 95.8 | Very high | 114 Ų | 114 | 106.5 Ų | 106.5 | 43% | 0.43 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 179.6 | -161.3 | -158.4 | -40.4 | 99.5 | 7.8 | 112.3 | D253 E254 Y255 W259 E260 E261 | D253-R257 PolarHBondContact O-N 3.37Å; E254-R257 PolarHBondContact O-N 2.94Å; Y255-R257 PolarHBondContact O-N 3.2Å; R257-W259 VanDerWaalsContact C-N 3.27Å; R257-W259 PolarHBondContact O-N 3.35Å; R257-E260 PolarHBondContact O-N 2.99Å; R257-E260 VanDerWaalsContact O-N 3.15Å; R257-E261 WeakPolarHBondContact CD-OE1 3.45Å; R257-E261 WeakPolarHBondContact CG-OE1 3.31Å; R257-E261 VanDerWaalsContact O-CG 3.3Å; R257-E261 WeakPolarHBondContact O-CG 3.43Å; R257-E261 PolarHBondContact O-N 2.83Å |
| 258 | R | 95.1 | Very high | 95.7 | Very high | 113 Ų | 113 | 107.1 Ų | 107.1 | 43% | 0.426 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -57.7 | -41.2 | 174.9 | -76.1 | -177 | 177.8 | 105.5 | 9.5 | 111.9 | E254 Y255 E261 E262 | E254-R258 VanDerWaalsContact CD-NH1 3.34Å; E254-R258 WeakPolarHBondContact O-CG 3.47Å; E254-R258 PolarHBondContact O-N 3.46Å; E254-R258 IonicContact OE1-CZ 3.65Å; E254-R258 IonicContact OE1-NH1 3.61Å; E254-R258 PolarHBondContact OE1-NH1 3.18Å; E254-R258 IonicContact OE1-NH2 2.83Å; E254-R258 PolarHBondContact OE1-NH2 2.93Å; Y255-R258 PolarHBondContact O-N 3.4Å; R258-E261 PolarHBondContact O-N 3.03Å; R258-E262 VanDerWaalsContact O-CB 3.29Å; R258-E262 WeakPolarHBondContact O-CB 3.35Å; R258-E262 VanDerWaalsContact O-CG 3.28Å; R258-E262 WeakPolarHBondContact O-CG 3.5Å; R258-E262 PolarHBondContact O-N 2.83Å |
| 259 | W | 96.9 | Very high | 95.6 | Very high | 160 Ų | 160 | 108.6 Ų | 108.6 | 61% | 0.606 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -66.5 | -39.9 | 176.6 | 179.4 | 89 | 0 | 0 | 0 | 112.1 | Y255 K256 R257 Y263 | Y255-W259 WeakPolarHBondContact O-CB 3.42Å; Y255-W259 PolarHBondContact O-N 3.13Å; K256-W259 PolarHBondContact O-N 3.4Å; R257-W259 VanDerWaalsContact C-N 3.27Å; R257-W259 PolarHBondContact O-N 3.35Å; W259-Y263 HydrophobicContact CH2-CD2 4.31Å; W259-Y263 HydrophobicContact CH2-CG 4.3Å; W259-Y263 HydrophobicContact CZ2-CD2 4.22Å; W259-Y263 HydrophobicContact CZ2-CG 4.48Å; W259-Y263 WeakPolarHBondContact O-CB 3.38Å; W259-Y263 PolarHBondContact O-N 3.39Å |
| 260 | E | 95.6 | Very high | 95.5 | Very high | 82 Ų | 82 | 108.4 Ų | 108.4 | 38% | 0.383 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.6 | -40.3 | 174.7 | -70.1 | 171.5 | 152 | 0 | 0 | 111.8 | K256 R257 T264 | K256-E260 VanDerWaalsContact CE-CD 3.42Å; K256-E260 WeakPolarHBondContact CE-OE1 3.5Å; K256-E260 IonicContact NZ-OE1 3.64Å; K256-E260 PolarHBondContact NZ-OE1 3.09Å; K256-E260 WeakPolarHBondContact O-CG 3.34Å; K256-E260 PolarHBondContact O-N 2.94Å; R257-E260 PolarHBondContact O-N 2.99Å; R257-E260 VanDerWaalsContact O-N 3.15Å; E260-T264 WeakPolarHBondContact O-CB 3.49Å; E260-T264 PolarHBondContact O-N 3.13Å; E260-T264 PolarHBondContact O-OG1 3.25Å |
| 261 | E | 95.2 | Very high | 95.5 | Very high | 101 Ų | 101 | 105.3 Ų | 105.3 | 47% | 0.472 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.5 | -54 | 173.7 | -71.2 | 159.5 | -173.2 | 0 | 0 | 111.2 | R257 R258 Y263 T264 V265 | R257-E261 WeakPolarHBondContact CD-OE1 3.45Å; R257-E261 WeakPolarHBondContact CG-OE1 3.31Å; R257-E261 VanDerWaalsContact O-CG 3.3Å; R257-E261 WeakPolarHBondContact O-CG 3.43Å; R257-E261 PolarHBondContact O-N 2.83Å; R258-E261 PolarHBondContact O-N 3.03Å; E261-Y263 PolarHBondContact O-N 2.98Å; E261-T264 WeakPolarHBondContact O-CB 3.42Å; E261-T264 PolarHBondContact O-N 2.98Å; E261-V265 WeakPolarHBondContact O-CG2 3.49Å; E261-V265 PolarHBondContact O-N 3.42Å |
| 262 | E | 94.7 | Very high | 95.3 | Very high | 102 Ų | 102 | 106.6 Ų | 106.6 | 48% | 0.477 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -57.6 | -44.2 | 176.5 | -80.6 | -77.3 | 143.3 | 0 | 0 | 113 | R258 T264 V265 R266 | R258-E262 VanDerWaalsContact O-CB 3.29Å; R258-E262 WeakPolarHBondContact O-CB 3.35Å; R258-E262 VanDerWaalsContact O-CG 3.28Å; R258-E262 WeakPolarHBondContact O-CG 3.5Å; R258-E262 PolarHBondContact O-N 2.83Å; E262-T264 VanDerWaalsContact C-N 3.33Å; E262-T264 PolarHBondContact O-N 3.42Å; E262-V265 PolarHBondContact O-N 3.21Å; E262-R266 VanDerWaalsContact O-CG 3.27Å; E262-R266 WeakPolarHBondContact O-CG 3.43Å; E262-R266 PolarHBondContact O-N 2.64Å; E262-R266 IonicContact OE2-CZ 3.4Å; E262-R266 IonicContact OE2-NE 3.72Å; E262-R266 IonicContact OE2-NH2 2.88Å; E262-R266 PolarHBondContact OE2-NH2 3.22Å |
| 263 | Y | 93.1 | Very high | 95.3 | Very high | 126 Ų | 126 | 103.2 Ų | 103.2 | 49% | 0.494 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 176.9 | 177.1 | -101.1 | 0 | 0 | 0 | 111.4 | W259 E261 R266 I267 | W259-Y263 HydrophobicContact CH2-CD2 4.31Å; W259-Y263 HydrophobicContact CH2-CG 4.3Å; W259-Y263 HydrophobicContact CZ2-CD2 4.22Å; W259-Y263 HydrophobicContact CZ2-CG 4.48Å; W259-Y263 WeakPolarHBondContact O-CB 3.38Å; W259-Y263 PolarHBondContact O-N 3.39Å; E261-Y263 PolarHBondContact O-N 2.98Å; Y263-R266 PolarHBondContact O-N 2.95Å; Y263-I267 HydrophobicContact CD1-CD1 3.97Å; Y263-I267 HydrophobicContact CE1-CD1 3.37Å; Y263-I267 HydrophobicContact CE1-CG1 4.46Å; Y263-I267 HydrophobicContact CE2-CD1 4.26Å; Y263-I267 PolarHBondContact O-N 2.77Å |
| 264 | T | 95.3 | Very high | 95.2 | Very high | 69 Ų | 69 | 102.9 Ų | 102.9 | 42% | 0.423 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 176.8 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | E260 E261 E262 I267 Q268 | E260-T264 WeakPolarHBondContact O-CB 3.49Å; E260-T264 PolarHBondContact O-N 3.13Å; E260-T264 PolarHBondContact O-OG1 3.25Å; E261-T264 WeakPolarHBondContact O-CB 3.42Å; E261-T264 PolarHBondContact O-N 2.98Å; E262-T264 VanDerWaalsContact C-N 3.33Å; E262-T264 PolarHBondContact O-N 3.42Å; T264-I267 PolarHBondContact O-N 3.1Å; T264-Q268 WeakPolarHBondContact O-CG 3.45Å; T264-Q268 PolarHBondContact O-N 2.9Å |
| 265 | V | 94.9 | Very high | 95.2 | Very high | 69 Ų | 69 | 104 Ų | 104 | 42% | 0.418 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.6 | -39.4 | 176.1 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | E261 E262 Q268 L269 | E261-V265 WeakPolarHBondContact O-CG2 3.49Å; E261-V265 PolarHBondContact O-N 3.42Å; E262-V265 PolarHBondContact O-N 3.21Å; V265-Q268 PolarHBondContact O-N 3.48Å; V265-L269 HydrophobicContact CG1-CD1 3.95Å; V265-L269 HydrophobicContact CG1-CG 4.33Å; V265-L269 WeakPolarHBondContact O-CB 3.26Å; V265-L269 WeakPolarHBondContact O-CG 3.38Å; V265-L269 PolarHBondContact O-N 3.17Å |
| 266 | R | 95.4 | Very high | 95.3 | Very high | 158 Ų | 158 | 100.4 Ų | 100.4 | 60% | 0.596 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63 | -41.8 | 176 | -73.7 | 171.1 | -159.3 | -167.9 | 3.4 | 112.7 | E262 Y263 L269 Q270 | E262-R266 VanDerWaalsContact O-CG 3.27Å; E262-R266 WeakPolarHBondContact O-CG 3.43Å; E262-R266 PolarHBondContact O-N 2.64Å; E262-R266 IonicContact OE2-CZ 3.4Å; E262-R266 IonicContact OE2-NE 3.72Å; E262-R266 IonicContact OE2-NH2 2.88Å; E262-R266 PolarHBondContact OE2-NH2 3.22Å; Y263-R266 PolarHBondContact O-N 2.95Å; R266-L269 PolarHBondContact O-N 2.98Å; R266-Q270 WeakPolarHBondContact O-CB 3.5Å; R266-Q270 PolarHBondContact O-N 3.24Å |
| 267 | I | 95.1 | Very high | 95.4 | Very high | 69 Ų | 69 | 100.3 Ų | 100.3 | 35% | 0.354 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.2 | -49.7 | 173.5 | -70.3 | 173.1 | 0 | 0 | 0 | 110 | Y263 T264 L269 Q270 D271 | Y263-I267 HydrophobicContact CD1-CD1 3.97Å; Y263-I267 HydrophobicContact CE1-CD1 3.37Å; Y263-I267 HydrophobicContact CE1-CG1 4.46Å; Y263-I267 HydrophobicContact CE2-CD1 4.26Å; Y263-I267 PolarHBondContact O-N 2.77Å; T264-I267 PolarHBondContact O-N 3.1Å; I267-L269 VanDerWaalsContact C-N 3.28Å; I267-L269 PolarHBondContact O-N 3.21Å; I267-Q270 WeakPolarHBondContact O-CB 3.45Å; I267-Q270 PolarHBondContact O-N 3.03Å; I267-Q270 VanDerWaalsContact O-N 3.07Å; I267-D271 WeakPolarHBondContact CG2-OD2 3.5Å; I267-D271 VanDerWaalsContact O-CG 3.26Å; I267-D271 PolarHBondContact O-N 3.42Å |
| 268 | Q | 95.1 | Very high | 95.4 | Very high | 119 Ų | 119 | 100.9 Ų | 100.9 | 56% | 0.556 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -59.4 | -37 | 179.4 | -70.7 | 172.1 | 6.8 | 0 | 0 | 113.3 | T264 V265 R272 | T264-Q268 WeakPolarHBondContact O-CG 3.45Å; T264-Q268 PolarHBondContact O-N 2.9Å; V265-Q268 PolarHBondContact O-N 3.48Å; Q268-R272 WeakPolarHBondContact O-CB 3.48Å; Q268-R272 PolarHBondContact O-N 3.49Å |
| 269 | L | 95.2 | Very high | 95.4 | Very high | 109 Ų | 109 | 100.1 Ų | 100.1 | 57% | 0.571 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -71.8 | -39.1 | 174.6 | -71.4 | 173.8 | 0 | 0 | 0 | 112 | V265 R266 I267 R272 V273 | V265-L269 HydrophobicContact CG1-CD1 3.95Å; V265-L269 HydrophobicContact CG1-CG 4.33Å; V265-L269 WeakPolarHBondContact O-CB 3.26Å; V265-L269 WeakPolarHBondContact O-CG 3.38Å; V265-L269 PolarHBondContact O-N 3.17Å; R266-L269 PolarHBondContact O-N 2.98Å; I267-L269 VanDerWaalsContact C-N 3.28Å; I267-L269 PolarHBondContact O-N 3.21Å; L269-R272 PolarHBondContact O-N 3.15Å; L269-V273 WeakPolarHBondContact O-CB 3.4Å; L269-V273 VanDerWaalsContact O-CG2 3.31Å; L269-V273 WeakPolarHBondContact O-CG2 3.49Å; L269-V273 PolarHBondContact O-N 3.3Å |
| 270 | Q | 95.2 | Very high | 95.3 | Very high | 108 Ų | 108 | 94.8 Ų | 94.8 | 51% | 0.505 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 174.6 | -174.2 | 62.7 | 64.6 | 0 | 0 | 111.2 | R266 I267 R272 V273 N274 | R266-Q270 WeakPolarHBondContact O-CB 3.5Å; R266-Q270 PolarHBondContact O-N 3.24Å; I267-Q270 WeakPolarHBondContact O-CB 3.45Å; I267-Q270 PolarHBondContact O-N 3.03Å; I267-Q270 VanDerWaalsContact O-N 3.07Å; Q270-R272 VanDerWaalsContact C-N 3.34Å; Q270-R272 PolarHBondContact O-N 2.93Å; Q270-V273 PolarHBondContact O-N 3.36Å; Q270-N274 PolarHBondContact NE2-OD1 3.13Å; Q270-N274 PolarHBondContact O-N 2.93Å; Q270-N274 PolarHBondContact O-ND2 2.93Å; Q270-N274 PolarHBondContact O-OD1 3.05Å |
| 271 | D | 95.1 | Very high | 95.4 | Very high | 82 Ų | 82 | 96.6 Ų | 96.6 | 44% | 0.439 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.1 | -45.5 | 174.8 | -65.5 | -22.5 | 0 | 0 | 0 | 110.4 | I267 V273 N274 E275 | I267-D271 WeakPolarHBondContact CG2-OD2 3.5Å; I267-D271 VanDerWaalsContact O-CG 3.26Å; I267-D271 PolarHBondContact O-N 3.42Å; D271-V273 PolarHBondContact O-N 3.33Å; D271-N274 WeakPolarHBondContact O-CB 3.44Å; D271-N274 PolarHBondContact O-N 3.07Å; D271-E275 WeakPolarHBondContact O-CG 3.32Å; D271-E275 PolarHBondContact O-N 3.03Å |
| 272 | R | 93.2 | Very high | 95.5 | Very high | 95 Ų | 95 | 98.5 Ų | 98.5 | 36% | 0.358 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.6 | -31.2 | 177.9 | -175 | 57.1 | -167.6 | 153.1 | 11.8 | 113.5 | Q268 L269 Q270 E275 L276 E279 | Q268-R272 WeakPolarHBondContact O-CB 3.48Å; Q268-R272 PolarHBondContact O-N 3.49Å; L269-R272 PolarHBondContact O-N 3.15Å; Q270-R272 VanDerWaalsContact C-N 3.34Å; Q270-R272 PolarHBondContact O-N 2.93Å; R272-E275 WeakPolarHBondContact CD-OE2 3.48Å; R272-E275 IonicContact CZ-OE2 3.31Å; R272-E275 IonicContact NE-OE2 3Å; R272-E275 IonicContact NH1-OE2 3.96Å; R272-E275 PolarHBondContact NH1-OE2 2.93Å; R272-L276 HydrophobicContact CG-CD1 4.28Å; R272-L276 WeakPolarHBondContact O-CB 3.37Å; R272-L276 VanDerWaalsContact O-CG 3.31Å; R272-L276 WeakPolarHBondContact O-CG 3.46Å; R272-L276 PolarHBondContact O-N 3.41Å; R272-E279 IonicContact CZ-OE1 3.65Å; R272-E279 VanDerWaalsContact CZ-OE1 3.32Å; R272-E279 IonicContact NH1-OE1 3.79Å; R272-E279 PolarHBondContact NH1-OE1 2.94Å; R272-E279 IonicContact NH2-OE1 2.74Å; R272-E279 PolarHBondContact NH2-OE1 3.44Å; R272-E279 IonicContact NH2-OE2 3.67Å; R272-E279 PolarHBondContact NH2-OE2 3.26Å |
| 273 | V | 95.8 | Very high | 95.5 | Very high | 77 Ų | 77 | 96.3 Ų | 96.3 | 47% | 0.467 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66 | -42.3 | 171.5 | 165.6 | 0 | 0 | 0 | 0 | 110.4 | L269 Q270 D271 L276 Q277 | L269-V273 WeakPolarHBondContact O-CB 3.4Å; L269-V273 VanDerWaalsContact O-CG2 3.31Å; L269-V273 WeakPolarHBondContact O-CG2 3.49Å; L269-V273 PolarHBondContact O-N 3.3Å; Q270-V273 PolarHBondContact O-N 3.36Å; D271-V273 PolarHBondContact O-N 3.33Å; V273-L276 PolarHBondContact O-N 3.29Å; V273-Q277 WeakPolarHBondContact O-CB 3.46Å; V273-Q277 PolarHBondContact O-N 3.22Å |
| 274 | N | 95.5 | Very high | 95.6 | Very high | 67 Ų | 67 | 94.7 Ų | 94.7 | 36% | 0.358 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.2 | -47 | 176.2 | -59.6 | -12.9 | 0 | 0 | 0 | 110.9 | Q270 D271 L276 Q277 E278 | Q270-N274 PolarHBondContact NE2-OD1 3.13Å; Q270-N274 PolarHBondContact O-N 2.93Å; Q270-N274 PolarHBondContact O-ND2 2.93Å; Q270-N274 PolarHBondContact O-OD1 3.05Å; D271-N274 WeakPolarHBondContact O-CB 3.44Å; D271-N274 PolarHBondContact O-N 3.07Å; N274-L276 PolarHBondContact O-N 3.26Å; N274-Q277 PolarHBondContact O-N 3.45Å; N274-Q277 VanDerWaalsContact O-N 3.1Å; N274-E278 PolarHBondContact O-N 3.48Å |
| 275 | E | 96.9 | Very high | 95.7 | Very high | 90 Ų | 90 | 94.1 Ų | 94.1 | 42% | 0.421 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -55.4 | -47.6 | 174.1 | -71.8 | 177.4 | 171.1 | 0 | 0 | 111.7 | D271 R272 Q277 E278 E279 | D271-E275 WeakPolarHBondContact O-CG 3.32Å; D271-E275 PolarHBondContact O-N 3.03Å; R272-E275 WeakPolarHBondContact CD-OE2 3.48Å; R272-E275 IonicContact CZ-OE2 3.31Å; R272-E275 IonicContact NE-OE2 3Å; R272-E275 IonicContact NH1-OE2 3.96Å; R272-E275 PolarHBondContact NH1-OE2 2.93Å; E275-Q277 VanDerWaalsContact C-N 3.27Å; E275-Q277 PolarHBondContact O-N 2.96Å; E275-E278 PolarHBondContact O-N 3.37Å; E275-E279 WeakPolarHBondContact O-CB 3.46Å; E275-E279 WeakPolarHBondContact O-CG 3.41Å; E275-E279 PolarHBondContact O-N 3.33Å |
| 276 | L | 95.7 | Very high | 95.7 | Very high | 85 Ų | 85 | 94.3 Ų | 94.3 | 45% | 0.445 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.1 | -30.9 | 177.7 | -78.6 | 168.6 | 0 | 0 | 0 | 112.9 | R272 V273 N274 A280 | R272-L276 HydrophobicContact CG-CD1 4.28Å; R272-L276 WeakPolarHBondContact O-CB 3.37Å; R272-L276 VanDerWaalsContact O-CG 3.31Å; R272-L276 WeakPolarHBondContact O-CG 3.46Å; R272-L276 PolarHBondContact O-N 3.41Å; V273-L276 PolarHBondContact O-N 3.29Å; N274-L276 PolarHBondContact O-N 3.26Å; L276-A280 WeakPolarHBondContact O-CB 3.46Å; L276-A280 PolarHBondContact O-N 3.02Å |
| 277 | Q | 96.9 | Very high | 95.8 | Very high | 112 Ų | 112 | 93.3 Ų | 93.3 | 52% | 0.523 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -75.8 | -34.4 | 177.5 | -170.6 | 166.7 | 9.1 | 0 | 0 | 111.8 | V273 N274 E275 Q281 | V273-Q277 WeakPolarHBondContact O-CB 3.46Å; V273-Q277 PolarHBondContact O-N 3.22Å; N274-Q277 PolarHBondContact O-N 3.45Å; N274-Q277 VanDerWaalsContact O-N 3.1Å; E275-Q277 VanDerWaalsContact C-N 3.27Å; E275-Q277 PolarHBondContact O-N 2.96Å; Q277-Q281 WeakPolarHBondContact O-CG 3.35Å; Q277-Q281 PolarHBondContact O-N 3.06Å; Q277-Q281 VanDerWaalsContact O-N 3.11Å |
| 278 | E | 97.4 | Very high | 95.9 | Very high | 126 Ų | 126 | 96.7 Ų | 96.7 | 59% | 0.589 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.4 | -48.7 | 168.7 | -69.1 | 179.4 | 171 | 0 | 0 | 110.8 | N274 E275 A280 Q281 E282 | N274-E278 PolarHBondContact O-N 3.48Å; E275-E278 PolarHBondContact O-N 3.37Å; E278-A280 PolarHBondContact O-N 3.28Å; E278-Q281 PolarHBondContact O-N 3.25Å; E278-Q281 VanDerWaalsContact O-N 3.13Å; E278-E282 PolarHBondContact O-N 3.46Å |
| 279 | E | 95.9 | Very high | 96.1 | Very high | 96 Ų | 96 | 96 Ų | 96 | 45% | 0.449 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -53.9 | -39.8 | 174.7 | -73.7 | 171.7 | -148.1 | 0 | 0 | 111.8 | R272 E275 A283 | R272-E279 IonicContact CZ-OE1 3.65Å; R272-E279 VanDerWaalsContact CZ-OE1 3.32Å; R272-E279 IonicContact NH1-OE1 3.79Å; R272-E279 PolarHBondContact NH1-OE1 2.94Å; R272-E279 IonicContact NH2-OE1 2.74Å; R272-E279 PolarHBondContact NH2-OE1 3.44Å; R272-E279 IonicContact NH2-OE2 3.67Å; R272-E279 PolarHBondContact NH2-OE2 3.26Å; E275-E279 WeakPolarHBondContact O-CB 3.46Å; E275-E279 WeakPolarHBondContact O-CG 3.41Å; E275-E279 PolarHBondContact O-N 3.33Å; E279-A283 WeakPolarHBondContact O-CB 3.33Å; E279-A283 PolarHBondContact O-N 3Å; E279-A283 VanDerWaalsContact O-N 3.13Å |
| 280 | A | 94.3 | Very high | 96.2 | Very high | 49 Ų | 49 | 95.8 Ų | 95.8 | 41% | 0.405 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.1 | -43.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L276 E278 E282 A283 D284 | L276-A280 WeakPolarHBondContact O-CB 3.46Å; L276-A280 PolarHBondContact O-N 3.02Å; E278-A280 PolarHBondContact O-N 3.28Å; A280-E282 VanDerWaalsContact C-N 3.32Å; A280-E282 PolarHBondContact O-N 3.04Å; A280-A283 WeakPolarHBondContact O-CB 3.45Å; A280-A283 PolarHBondContact O-N 2.86Å; A280-A283 VanDerWaalsContact O-N 3.17Å; A280-D284 PolarHBondContact O-N 2.87Å |
| 281 | Q | 97.6 | Very high | 96.3 | Very high | 120 Ų | 120 | 93.2 Ų | 93.2 | 56% | 0.561 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.1 | -36.4 | 177.2 | -73.6 | 174.2 | 10.5 | 0 | 0 | 112.4 | Q277 E278 A285 | Q277-Q281 WeakPolarHBondContact O-CG 3.35Å; Q277-Q281 PolarHBondContact O-N 3.06Å; Q277-Q281 VanDerWaalsContact O-N 3.11Å; E278-Q281 PolarHBondContact O-N 3.25Å; E278-Q281 VanDerWaalsContact O-N 3.13Å; Q281-A285 PolarHBondContact O-N 2.92Å; Q281-A285 VanDerWaalsContact O-N 3.1Å |
| 282 | E | 96.9 | Very high | 96.5 | Very high | 140 Ų | 140 | 95.3 Ų | 95.3 | 65% | 0.654 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.4 | -39.8 | 172.6 | -70.3 | -172.7 | 172.4 | 0 | 0 | 111.9 | E278 A280 A285 C286 | E278-E282 PolarHBondContact O-N 3.46Å; A280-E282 VanDerWaalsContact C-N 3.32Å; A280-E282 PolarHBondContact O-N 3.04Å; E282-A285 PolarHBondContact O-N 3.49Å; E282-C286 PolarHBondContact O-N 2.76Å; E282-C286 PolarHBondContact O-SG 2.92Å |
| 283 | A | 94.9 | Very high | 96.7 | Very high | 57 Ų | 57 | 95 Ų | 95 | 47% | 0.471 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.9 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E279 A280 C286 Q287 | E279-A283 WeakPolarHBondContact O-CB 3.33Å; E279-A283 PolarHBondContact O-N 3Å; E279-A283 VanDerWaalsContact O-N 3.13Å; A280-A283 WeakPolarHBondContact O-CB 3.45Å; A280-A283 PolarHBondContact O-N 2.86Å; A280-A283 VanDerWaalsContact O-N 3.17Å; A283-C286 PolarHBondContact O-N 2.95Å; A283-Q287 WeakPolarHBondContact O-CB 3.29Å; A283-Q287 PolarHBondContact O-N 3.27Å |
| 284 | D | 96.3 | Very high | 96.8 | Very high | 92 Ų | 92 | 94.7 Ų | 94.7 | 49% | 0.492 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60 | -45.5 | 174.9 | -74.3 | -24.6 | 0 | 0 | 0 | 111.3 | A280 C286 Q287 E288 | A280-D284 PolarHBondContact O-N 2.87Å; D284-C286 VanDerWaalsContact C-N 3.34Å; D284-C286 PolarHBondContact O-N 3.47Å; D284-Q287 WeakPolarHBondContact O-CB 3.38Å; D284-Q287 PolarHBondContact O-N 3.1Å; D284-Q287 VanDerWaalsContact O-N 3.11Å; D284-E288 PolarHBondContact O-N 3.26Å |
| 285 | A | 96 | Very high | 97 | Very high | 57 Ų | 57 | 96.5 Ų | 96.5 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62 | -39 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q281 E282 E288 E289 | Q281-A285 PolarHBondContact O-N 2.92Å; Q281-A285 VanDerWaalsContact O-N 3.1Å; E282-A285 PolarHBondContact O-N 3.49Å; A285-E288 PolarHBondContact O-N 3.44Å; A285-E289 PolarHBondContact O-N 2.83Å; A285-E289 VanDerWaalsContact O-N 3.09Å |
| 286 | C | 95.6 | Very high | 97 | Very high | 72 Ų | 72 | 97.6 Ų | 97.6 | 49% | 0.486 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.1 | -37.2 | 173 | -68.5 | 0 | 0 | 0 | 0 | 112.2 | E282 A283 D284 E289 L290 | E282-C286 PolarHBondContact O-N 2.76Å; E282-C286 PolarHBondContact O-SG 2.92Å; A283-C286 PolarHBondContact O-N 2.95Å; D284-C286 VanDerWaalsContact C-N 3.34Å; D284-C286 PolarHBondContact O-N 3.47Å; C286-E289 PolarHBondContact O-N 2.88Å; C286-L290 WeakPolarHBondContact O-CB 3.37Å; C286-L290 WeakPolarHBondContact O-CG 3.42Å; C286-L290 PolarHBondContact O-N 2.97Å |
| 287 | Q | 97.6 | Very high | 97.2 | Very high | 137 Ų | 137 | 98.7 Ų | 98.7 | 64% | 0.64 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.8 | -42.8 | 176.1 | -176.5 | 175.9 | -72 | 0 | 0 | 111.3 | A283 D284 L290 A291 | A283-Q287 WeakPolarHBondContact O-CB 3.29Å; A283-Q287 PolarHBondContact O-N 3.27Å; D284-Q287 WeakPolarHBondContact O-CB 3.38Å; D284-Q287 PolarHBondContact O-N 3.1Å; D284-Q287 VanDerWaalsContact O-N 3.11Å; Q287-L290 PolarHBondContact O-N 3.21Å; Q287-A291 WeakPolarHBondContact O-CB 3.37Å; Q287-A291 PolarHBondContact O-N 2.92Å |
| 288 | E | 98.1 | Very high | 97.2 | Very high | 140 Ų | 140 | 98.4 Ų | 98.4 | 65% | 0.654 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.3 | -45.2 | 173.8 | -71 | -172.7 | 172.1 | 0 | 0 | 112 | D284 A285 L290 A291 L292 | D284-E288 PolarHBondContact O-N 3.26Å; A285-E288 PolarHBondContact O-N 3.44Å; E288-L290 VanDerWaalsContact C-N 3.32Å; E288-L290 PolarHBondContact O-N 2.79Å; E288-A291 PolarHBondContact O-N 3.07Å; E288-L292 WeakPolarHBondContact O-CG 3.49Å; E288-L292 PolarHBondContact O-N 2.9Å |
| 289 | E | 97.9 | Very high | 97.3 | Very high | 104 Ų | 104 | 95.1 Ų | 95.1 | 49% | 0.486 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.5 | -40.4 | 177.6 | -160.3 | -159.1 | 160.9 | 0 | 0 | 111.9 | A285 C286 K293 | A285-E289 PolarHBondContact O-N 2.83Å; A285-E289 VanDerWaalsContact O-N 3.09Å; C286-E289 PolarHBondContact O-N 2.88Å; E289-K293 WeakPolarHBondContact O-CG 3.45Å; E289-K293 PolarHBondContact O-N 2.79Å; E289-K293 VanDerWaalsContact O-N 3.1Å; E289-K293 WeakPolarHBondContact OE1-CE 3.42Å; E289-K293 IonicContact OE1-NZ 2.56Å; E289-K293 PolarHBondContact OE1-NZ 3.39Å; E289-K293 IonicContact OE2-NZ 2.88Å |
| 290 | L | 97.7 | Very high | 97.4 | Very high | 106 Ų | 106 | 94.3 Ų | 94.3 | 56% | 0.555 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67.7 | -40.4 | 175.3 | -73.1 | 170.6 | 0 | 0 | 0 | 112.1 | C286 Q287 E288 L292 K293 V294 | C286-L290 WeakPolarHBondContact O-CB 3.37Å; C286-L290 WeakPolarHBondContact O-CG 3.42Å; C286-L290 PolarHBondContact O-N 2.97Å; Q287-L290 PolarHBondContact O-N 3.21Å; E288-L290 VanDerWaalsContact C-N 3.32Å; E288-L290 PolarHBondContact O-N 2.79Å; L290-L292 PolarHBondContact O-N 3.41Å; L290-K293 PolarHBondContact O-N 2.84Å; L290-V294 WeakPolarHBondContact O-CG2 3.33Å; L290-V294 PolarHBondContact O-N 2.91Å |
| 291 | A | 97.7 | Very high | 97.5 | Very high | 54 Ų | 54 | 97.7 Ų | 97.7 | 45% | 0.446 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q287 E288 K293 V294 E295 | Q287-A291 WeakPolarHBondContact O-CB 3.37Å; Q287-A291 PolarHBondContact O-N 2.92Å; E288-A291 PolarHBondContact O-N 3.07Å; A291-K293 PolarHBondContact O-N 3.13Å; A291-V294 PolarHBondContact O-N 2.96Å; A291-E295 PolarHBondContact O-N 2.89Å |
| 292 | L | 98.3 | Very high | 97.6 | Very high | 126 Ų | 126 | 97 Ų | 97 | 66% | 0.66 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.9 | -41.4 | 174.9 | -69.1 | 175.2 | 0 | 0 | 0 | 112.3 | E288 L290 V294 E295 Q296 | E288-L292 WeakPolarHBondContact O-CG 3.49Å; E288-L292 PolarHBondContact O-N 2.9Å; L290-L292 PolarHBondContact O-N 3.41Å; L292-V294 VanDerWaalsContact C-N 3.35Å; L292-E295 PolarHBondContact O-N 3.34Å; L292-Q296 WeakPolarHBondContact O-CB 3.37Å; L292-Q296 PolarHBondContact O-N 2.88Å |
| 293 | K | 98.2 | Very high | 97.6 | Very high | 87 Ų | 87 | 94.6 Ų | 94.6 | 38% | 0.378 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.1 | -39.1 | 174 | -72.8 | 166.9 | -173.6 | 163.5 | 0 | 112.2 | E289 L290 A291 Q296 L297 | E289-K293 WeakPolarHBondContact O-CG 3.45Å; E289-K293 PolarHBondContact O-N 2.79Å; E289-K293 VanDerWaalsContact O-N 3.1Å; E289-K293 WeakPolarHBondContact OE1-CE 3.42Å; E289-K293 IonicContact OE1-NZ 2.56Å; E289-K293 PolarHBondContact OE1-NZ 3.39Å; E289-K293 IonicContact OE2-NZ 2.88Å; L290-K293 PolarHBondContact O-N 2.84Å; A291-K293 PolarHBondContact O-N 3.13Å; K293-Q296 PolarHBondContact O-N 3.38Å; K293-L297 WeakPolarHBondContact O-CB 3.2Å; K293-L297 VanDerWaalsContact O-CG 3.29Å; K293-L297 WeakPolarHBondContact O-CG 3.39Å; K293-L297 PolarHBondContact O-N 3.26Å |
| 294 | V | 98.6 | Very high | 97.7 | Very high | 72 Ų | 72 | 97.7 Ų | 97.7 | 44% | 0.436 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64 | -45.5 | 176.2 | 166.6 | 0 | 0 | 0 | 0 | 111 | L290 A291 L292 L297 K298 | L290-V294 WeakPolarHBondContact O-CG2 3.33Å; L290-V294 PolarHBondContact O-N 2.91Å; A291-V294 PolarHBondContact O-N 2.96Å; L292-V294 VanDerWaalsContact C-N 3.35Å; V294-L297 PolarHBondContact O-N 3.44Å; V294-K298 HydrophobicContact CG1-CD 4.23Å; V294-K298 VanDerWaalsContact O-CG 3.31Å; V294-K298 WeakPolarHBondContact O-CG 3.44Å; V294-K298 PolarHBondContact O-N 3.46Å |
| 295 | E | 98.1 | Very high | 97.8 | Very high | 105 Ų | 105 | 101.1 Ų | 101.1 | 49% | 0.491 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.4 | -38.8 | 176.1 | -68.6 | -51.4 | 126.3 | 0 | 0 | 112.6 | A291 L292 K298 A299 | A291-E295 PolarHBondContact O-N 2.89Å; L292-E295 PolarHBondContact O-N 3.34Å; E295-K298 PolarHBondContact O-N 3.49Å; E295-K298 WeakPolarHBondContact OE1-CD 3.47Å; E295-K298 WeakPolarHBondContact OE1-CE 3.28Å; E295-K298 IonicContact OE1-NZ 2.58Å; E295-K298 PolarHBondContact OE1-NZ 2.89Å; E295-A299 WeakPolarHBondContact O-CB 3.49Å; E295-A299 PolarHBondContact O-N 2.97Å |
| 296 | Q | 98.3 | Very high | 97.8 | Very high | 112 Ų | 112 | 99.9 Ų | 99.9 | 52% | 0.523 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.1 | -50.4 | 172 | -178.8 | -176.9 | -16.8 | 0 | 0 | 111.5 | L292 K293 K298 A299 E300 | L292-Q296 WeakPolarHBondContact O-CB 3.37Å; L292-Q296 PolarHBondContact O-N 2.88Å; K293-Q296 PolarHBondContact O-N 3.38Å; Q296-K298 VanDerWaalsContact C-N 3.33Å; Q296-K298 PolarHBondContact O-N 2.87Å; Q296-A299 WeakPolarHBondContact O-CB 3.5Å; Q296-A299 PolarHBondContact O-N 3.34Å; Q296-A299 VanDerWaalsContact O-N 3.13Å; Q296-E300 WeakPolarHBondContact CG-OE1 3.37Å; Q296-E300 PolarHBondContact NE2-OE1 3.16Å; Q296-E300 WeakPolarHBondContact O-CG 3.4Å; Q296-E300 PolarHBondContact O-N 2.89Å |
| 297 | L | 98.4 | Very high | 97.9 | Very high | 108 Ų | 108 | 100.6 Ų | 100.6 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.6 | -35.6 | -179.5 | -72.2 | 171.2 | 0 | 0 | 0 | 112.4 | K293 V294 L301 | K293-L297 WeakPolarHBondContact O-CB 3.2Å; K293-L297 VanDerWaalsContact O-CG 3.29Å; K293-L297 WeakPolarHBondContact O-CG 3.39Å; K293-L297 PolarHBondContact O-N 3.26Å; V294-L297 PolarHBondContact O-N 3.44Å; L297-L301 VanDerWaalsContact O-CB 3.3Å; L297-L301 WeakPolarHBondContact O-CB 3.4Å; L297-L301 PolarHBondContact O-N 3.42Å |
| 298 | K | 98.1 | Very high | 97.8 | Very high | 107 Ų | 107 | 99.7 Ų | 99.7 | 47% | 0.465 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.5 | -46.7 | 170.4 | -75.1 | 170.9 | -177.7 | 173.2 | 0 | 111.3 | V294 E295 Q296 L301 V302 | V294-K298 HydrophobicContact CG1-CD 4.23Å; V294-K298 VanDerWaalsContact O-CG 3.31Å; V294-K298 WeakPolarHBondContact O-CG 3.44Å; V294-K298 PolarHBondContact O-N 3.46Å; E295-K298 PolarHBondContact O-N 3.49Å; E295-K298 WeakPolarHBondContact OE1-CD 3.47Å; E295-K298 WeakPolarHBondContact OE1-CE 3.28Å; E295-K298 IonicContact OE1-NZ 2.58Å; E295-K298 PolarHBondContact OE1-NZ 2.89Å; Q296-K298 VanDerWaalsContact C-N 3.33Å; Q296-K298 PolarHBondContact O-N 2.87Å; K298-L301 PolarHBondContact O-N 2.87Å; K298-V302 WeakPolarHBondContact O-CG2 3.35Å; K298-V302 PolarHBondContact O-N 3.28Å |
| 299 | A | 98.1 | Very high | 97.6 | Very high | 57 Ų | 57 | 96.5 Ų | 96.5 | 47% | 0.471 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.1 | -45 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | E295 Q296 L301 V302 V303 | E295-A299 WeakPolarHBondContact O-CB 3.49Å; E295-A299 PolarHBondContact O-N 2.97Å; Q296-A299 WeakPolarHBondContact O-CB 3.5Å; Q296-A299 PolarHBondContact O-N 3.34Å; Q296-A299 VanDerWaalsContact O-N 3.13Å; A299-L301 PolarHBondContact O-N 3.5Å; A299-V302 PolarHBondContact O-N 3.29Å; A299-V303 WeakPolarHBondContact O-CG2 3.47Å; A299-V303 PolarHBondContact O-N 2.98Å |
| 300 | E | 98.1 | Very high | 97.5 | Very high | 78 Ų | 78 | 96.3 Ų | 96.3 | 36% | 0.364 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.4 | -45.3 | 174.6 | -72.5 | 179 | -160.5 | 0 | 0 | 111.6 | Q296 V302 V303 F304 | Q296-E300 WeakPolarHBondContact CG-OE1 3.37Å; Q296-E300 PolarHBondContact NE2-OE1 3.16Å; Q296-E300 WeakPolarHBondContact O-CG 3.4Å; Q296-E300 PolarHBondContact O-N 2.89Å; E300-V302 VanDerWaalsContact C-N 3.34Å; E300-V302 PolarHBondContact O-N 2.89Å; E300-V303 WeakPolarHBondContact O-CB 3.41Å; E300-V303 PolarHBondContact O-N 3.43Å; E300-V303 VanDerWaalsContact O-N 3.15Å; E300-F304 HydrophobicContact CB-CD2 4.47Å; E300-F304 HydrophobicContact CB-CE2 4.29Å; E300-F304 WeakPolarHBondContact O-CD2 3.45Å; E300-F304 PolarHBondContact O-N 3.45Å |
| 301 | L | 98 | Very high | 97.4 | Very high | 121 Ų | 121 | 95.7 Ų | 95.7 | 63% | 0.634 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.4 | -40.3 | 177.1 | -178.1 | 64 | 0 | 0 | 0 | 112.5 | L297 K298 A299 F304 K305 | L297-L301 VanDerWaalsContact O-CB 3.3Å; L297-L301 WeakPolarHBondContact O-CB 3.4Å; L297-L301 PolarHBondContact O-N 3.42Å; K298-L301 PolarHBondContact O-N 2.87Å; A299-L301 PolarHBondContact O-N 3.5Å; L301-F304 PolarHBondContact O-N 3.17Å; L301-K305 WeakPolarHBondContact O-CB 3.27Å; L301-K305 PolarHBondContact O-N 2.92Å |
| 302 | V | 98.1 | Very high | 97.3 | Very high | 104 Ų | 104 | 98.9 Ų | 98.9 | 63% | 0.63 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63 | -42.7 | 174.6 | 169.9 | 0 | 0 | 0 | 0 | 111 | K298 A299 E300 K305 G306 | K298-V302 WeakPolarHBondContact O-CG2 3.35Å; K298-V302 PolarHBondContact O-N 3.28Å; A299-V302 PolarHBondContact O-N 3.29Å; E300-V302 VanDerWaalsContact C-N 3.34Å; E300-V302 PolarHBondContact O-N 2.89Å; V302-K305 PolarHBondContact O-N 2.97Å; V302-G306 PolarHBondContact O-N 3.27Å |
| 303 | V | 97.8 | Very high | 97.2 | Very high | 90 Ų | 90 | 95.8 Ų | 95.8 | 55% | 0.545 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.5 | -47.1 | 175.4 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | A299 E300 K305 G306 L307 | A299-V303 WeakPolarHBondContact O-CG2 3.47Å; A299-V303 PolarHBondContact O-N 2.98Å; E300-V303 WeakPolarHBondContact O-CB 3.41Å; E300-V303 PolarHBondContact O-N 3.43Å; E300-V303 VanDerWaalsContact O-N 3.15Å; V303-K305 PolarHBondContact O-N 3.46Å; V303-G306 PolarHBondContact O-N 3.5Å; V303-L307 HydrophobicContact CG1-CD1 3.94Å; V303-L307 HydrophobicContact CG1-CG 4.38Å; V303-L307 WeakPolarHBondContact O-CB 3.39Å; V303-L307 WeakPolarHBondContact O-CG 3.44Å; V303-L307 PolarHBondContact O-N 3.26Å |
| 304 | F | 97.6 | Very high | 97.1 | Very high | 123 Ų | 123 | 96.4 Ų | 96.4 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 176.8 | -75.4 | -61.5 | 0 | 0 | 0 | 112.5 | E300 L301 L307 M308 | E300-F304 HydrophobicContact CB-CD2 4.47Å; E300-F304 HydrophobicContact CB-CE2 4.29Å; E300-F304 WeakPolarHBondContact O-CD2 3.45Å; E300-F304 PolarHBondContact O-N 3.45Å; L301-F304 PolarHBondContact O-N 3.17Å; F304-L307 PolarHBondContact O-N 2.77Å; F304-M308 WeakPolarHBondContact O-CG 3.39Å; F304-M308 PolarHBondContact O-N 3.15Å |
| 305 | K | 97.6 | Very high | 97 | Very high | 164 Ų | 164 | 97.9 Ų | 97.9 | 71% | 0.713 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.2 | -44 | 176.1 | -174 | 177.7 | -179.8 | 179.9 | 0 | 111.6 | L301 V302 V303 M308 S309 | L301-K305 WeakPolarHBondContact O-CB 3.27Å; L301-K305 PolarHBondContact O-N 2.92Å; V302-K305 PolarHBondContact O-N 2.97Å; V303-K305 PolarHBondContact O-N 3.46Å; K305-M308 PolarHBondContact O-N 3.5Å; K305-S309 WeakPolarHBondContact O-CB 3.41Å; K305-S309 PolarHBondContact O-N 3.38Å |
| 306 | G | 96.6 | Very high | 97 | Very high | 30 Ų | 30 | 96.7 Ų | 96.7 | 31% | 0.309 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61 | -47.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V302 V303 M308 S309 N310 | V302-G306 PolarHBondContact O-N 3.27Å; V303-G306 PolarHBondContact O-N 3.5Å; G306-M308 PolarHBondContact O-N 3.05Å; G306-S309 PolarHBondContact O-N 3.3Å; G306-N310 WeakPolarHBondContact O-CB 3.46Å; G306-N310 PolarHBondContact O-N 3.11Å; G306-N310 PolarHBondContact O-ND2 3.38Å |
| 307 | L | 96.5 | Very high | 96.9 | Very high | 87 Ų | 87 | 95.6 Ų | 95.6 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.3 | -45.5 | 176.9 | -72.5 | 171.7 | 0 | 0 | 0 | 112.1 | V303 F304 N310 N311 | V303-L307 HydrophobicContact CG1-CD1 3.94Å; V303-L307 HydrophobicContact CG1-CG 4.38Å; V303-L307 WeakPolarHBondContact O-CB 3.39Å; V303-L307 WeakPolarHBondContact O-CG 3.44Å; V303-L307 PolarHBondContact O-N 3.26Å; F304-L307 PolarHBondContact O-N 2.77Å; L307-N310 PolarHBondContact O-N 3.47Å; L307-N311 PolarHBondContact O-N 3.14Å; L307-N311 PolarHBondContact O-ND2 3.4Å |
| 308 | M | 95.1 | Very high | 96.9 | Very high | 119 Ų | 119 | 95.7 Ų | 95.7 | 59% | 0.586 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.4 | -39.5 | 179.2 | -68.5 | -59.2 | 161.1 | 0 | 0 | 112.6 | F304 K305 G306 N310 N311 L312 | F304-M308 WeakPolarHBondContact O-CG 3.39Å; F304-M308 PolarHBondContact O-N 3.15Å; K305-M308 PolarHBondContact O-N 3.5Å; G306-M308 PolarHBondContact O-N 3.05Å; M308-N310 VanDerWaalsContact C-N 3.31Å; M308-N310 PolarHBondContact O-N 3.27Å; M308-N311 PolarHBondContact O-N 3.42Å; M308-L312 WeakPolarHBondContact O-CB 3.33Å; M308-L312 WeakPolarHBondContact O-CG 3.49Å; M308-L312 PolarHBondContact O-N 3.14Å |
| 309 | S | 95.8 | Very high | 96.9 | Very high | 73 Ų | 73 | 95.2 Ų | 95.2 | 51% | 0.51 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.7 | -43.9 | 173 | -170.7 | 0 | 0 | 0 | 0 | 111.6 | K305 G306 L312 S313 | K305-S309 WeakPolarHBondContact O-CB 3.41Å; K305-S309 PolarHBondContact O-N 3.38Å; G306-S309 PolarHBondContact O-N 3.3Å; S309-L312 PolarHBondContact O-N 2.89Å; S309-S313 WeakPolarHBondContact O-CB 3.36Å; S309-S313 PolarHBondContact O-N 3.37Å; S309-S313 PolarHBondContact O-OG 3.11Å |
| 310 | N | 95.1 | Very high | 96.8 | Very high | 99 Ų | 99 | 98.2 Ų | 98.2 | 53% | 0.529 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.6 | -49.3 | 177.6 | -69.7 | -19.1 | 0 | 0 | 0 | 111.4 | G306 L307 M308 L312 S313 E314 | G306-N310 WeakPolarHBondContact O-CB 3.46Å; G306-N310 PolarHBondContact O-N 3.11Å; G306-N310 PolarHBondContact O-ND2 3.38Å; L307-N310 PolarHBondContact O-N 3.47Å; M308-N310 VanDerWaalsContact C-N 3.31Å; M308-N310 PolarHBondContact O-N 3.27Å; N310-L312 VanDerWaalsContact C-N 3.35Å; N310-L312 PolarHBondContact O-N 2.89Å; N310-S313 PolarHBondContact O-N 3.05Å; N310-S313 PolarHBondContact O-OG 3.28Å; N310-E314 PolarHBondContact O-N 3.37Å |
| 311 | N | 95.8 | Very high | 96.8 | Very high | 94 Ų | 94 | 98.7 Ų | 98.7 | 50% | 0.503 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.5 | -43 | 178 | -82.9 | -89 | 0 | 0 | 0 | 112.5 | L307 M308 E314 L315 | L307-N311 PolarHBondContact O-N 3.14Å; L307-N311 PolarHBondContact O-ND2 3.4Å; M308-N311 PolarHBondContact O-N 3.42Å; N311-E314 PolarHBondContact O-N 2.97Å; N311-L315 WeakPolarHBondContact O-CB 3.5Å; N311-L315 PolarHBondContact O-N 3.45Å |
| 312 | L | 95.1 | Very high | 96.8 | Very high | 121 Ų | 121 | 99.5 Ų | 99.5 | 63% | 0.634 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.9 | -44.1 | 176.1 | -71.5 | 171.9 | 0 | 0 | 0 | 111.8 | M308 S309 N310 E314 L315 D316 | M308-L312 WeakPolarHBondContact O-CB 3.33Å; M308-L312 WeakPolarHBondContact O-CG 3.49Å; M308-L312 PolarHBondContact O-N 3.14Å; S309-L312 PolarHBondContact O-N 2.89Å; N310-L312 VanDerWaalsContact C-N 3.35Å; N310-L312 PolarHBondContact O-N 2.89Å; L312-E314 VanDerWaalsContact C-N 3.35Å; L312-E314 PolarHBondContact O-N 2.78Å; L312-L315 PolarHBondContact O-N 2.98Å; L312-D316 PolarHBondContact O-N 2.78Å |
| 313 | S | 95.5 | Very high | 96.8 | Very high | 60 Ų | 60 | 96.7 Ų | 96.7 | 42% | 0.42 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.3 | -35.6 | 178.4 | 72.2 | 0 | 0 | 0 | 0 | 113 | S309 N310 T317 | S309-S313 WeakPolarHBondContact O-CB 3.36Å; S309-S313 PolarHBondContact O-N 3.37Å; S309-S313 PolarHBondContact O-OG 3.11Å; N310-S313 PolarHBondContact O-N 3.05Å; N310-S313 PolarHBondContact O-OG 3.28Å; S313-T317 VanDerWaalsContact O-CB 3.31Å; S313-T317 WeakPolarHBondContact O-CB 3.47Å; S313-T317 PolarHBondContact O-N 3.11Å; S313-T317 PolarHBondContact O-OG1 2.93Å |
| 314 | E | 97.1 | Very high | 96.8 | Very high | 100 Ų | 100 | 98.2 Ų | 98.2 | 47% | 0.467 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.5 | -40 | 175.2 | -166.9 | -168 | 158.3 | 0 | 0 | 111.1 | N310 N311 L312 K318 | N310-E314 PolarHBondContact O-N 3.37Å; N311-E314 PolarHBondContact O-N 2.97Å; L312-E314 VanDerWaalsContact C-N 3.35Å; L312-E314 PolarHBondContact O-N 2.78Å; E314-K318 WeakPolarHBondContact O-CB 3.39Å; E314-K318 VanDerWaalsContact O-CG 3.3Å; E314-K318 WeakPolarHBondContact O-CG 3.1Å; E314-K318 PolarHBondContact O-N 3.09Å; E314-K318 WeakPolarHBondContact OE1-CE 3.31Å; E314-K318 IonicContact OE1-NZ 2.91Å; E314-K318 PolarHBondContact OE1-NZ 3.4Å |
| 315 | L | 96.8 | Very high | 96.7 | Very high | 104 Ų | 104 | 97.3 Ų | 97.3 | 55% | 0.545 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.6 | -47.5 | 175.3 | -161.7 | 89.4 | 0 | 0 | 0 | 111.1 | N311 L312 K318 I319 | N311-L315 WeakPolarHBondContact O-CB 3.5Å; N311-L315 PolarHBondContact O-N 3.45Å; L312-L315 PolarHBondContact O-N 2.98Å; L315-K318 WeakPolarHBondContact O-CB 3.3Å; L315-K318 PolarHBondContact O-N 3.43Å; L315-I319 HydrophobicContact CD2-CD1 4.22Å; L315-I319 HydrophobicContact CG-CD1 4.27Å; L315-I319 WeakPolarHBondContact O-CG1 3.18Å; L315-I319 PolarHBondContact O-N 2.88Å |
| 316 | D | 97.1 | Very high | 96.7 | Very high | 79 Ų | 79 | 93.4 Ų | 93.4 | 42% | 0.422 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.8 | -42 | 179 | -165.8 | 58.9 | 0 | 0 | 0 | 111.4 | L312 K318 I319 Q320 | L312-D316 PolarHBondContact O-N 2.78Å; D316-K318 VanDerWaalsContact C-N 3.3Å; D316-K318 PolarHBondContact O-N 3.22Å; D316-I319 WeakPolarHBondContact O-CB 3.32Å; D316-I319 PolarHBondContact O-N 3.41Å; D316-Q320 WeakPolarHBondContact O-CG 3.46Å; D316-Q320 PolarHBondContact O-N 3.47Å; D316-Q320 PolarHBondContact OD2-NE2 2.88Å |
| 317 | T | 97.6 | Very high | 96.8 | Very high | 89 Ų | 89 | 96.3 Ų | 96.3 | 55% | 0.546 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.1 | -41.9 | 173 | -56.3 | 0 | 0 | 0 | 0 | 111.6 | S313 Q320 E321 | S313-T317 VanDerWaalsContact O-CB 3.31Å; S313-T317 WeakPolarHBondContact O-CB 3.47Å; S313-T317 PolarHBondContact O-N 3.11Å; S313-T317 PolarHBondContact O-OG1 2.93Å; T317-Q320 PolarHBondContact O-N 3.25Å; T317-E321 WeakPolarHBondContact O-CB 3.43Å; T317-E321 PolarHBondContact O-N 3.37Å |
| 318 | K | 97.8 | Very high | 96.8 | Very high | 111 Ų | 111 | 98.4 Ų | 98.4 | 48% | 0.483 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.8 | -37.2 | 174.8 | -76 | 168.5 | -178 | 167.6 | 0 | 112.5 | E314 L315 D316 K322 | E314-K318 WeakPolarHBondContact O-CB 3.39Å; E314-K318 VanDerWaalsContact O-CG 3.3Å; E314-K318 WeakPolarHBondContact O-CG 3.1Å; E314-K318 PolarHBondContact O-N 3.09Å; E314-K318 WeakPolarHBondContact OE1-CE 3.31Å; E314-K318 IonicContact OE1-NZ 2.91Å; E314-K318 PolarHBondContact OE1-NZ 3.4Å; L315-K318 WeakPolarHBondContact O-CB 3.3Å; L315-K318 PolarHBondContact O-N 3.43Å; D316-K318 VanDerWaalsContact C-N 3.3Å; D316-K318 PolarHBondContact O-N 3.22Å; K318-K322 WeakPolarHBondContact O-CB 3Å; K318-K322 WeakPolarHBondContact O-CG 3.49Å; K318-K322 PolarHBondContact O-N 2.62Å; K318-K322 VanDerWaalsContact O-N 3.1Å |
| 319 | I | 97.4 | Very high | 96.9 | Very high | 97 Ų | 97 | 96.3 Ų | 96.3 | 50% | 0.497 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.8 | -49 | 175.3 | -69.4 | 163.9 | 0 | 0 | 0 | 109.9 | L315 D316 E321 K322 A323 | L315-I319 HydrophobicContact CD2-CD1 4.22Å; L315-I319 HydrophobicContact CG-CD1 4.27Å; L315-I319 WeakPolarHBondContact O-CG1 3.18Å; L315-I319 PolarHBondContact O-N 2.88Å; D316-I319 WeakPolarHBondContact O-CB 3.32Å; D316-I319 PolarHBondContact O-N 3.41Å; I319-E321 PolarHBondContact O-N 3.02Å; I319-K322 PolarHBondContact O-N 3.47Å; I319-A323 WeakPolarHBondContact O-CB 3.4Å; I319-A323 PolarHBondContact O-N 2.88Å |
| 320 | Q | 97.4 | Very high | 96.9 | Very high | 119 Ų | 119 | 96.2 Ų | 96.2 | 56% | 0.556 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.9 | -42.6 | 176.8 | -67.8 | -175.5 | 23.2 | 0 | 0 | 112.1 | D316 T317 K322 A323 M324 | D316-Q320 WeakPolarHBondContact O-CG 3.46Å; D316-Q320 PolarHBondContact O-N 3.47Å; D316-Q320 PolarHBondContact OD2-NE2 2.88Å; T317-Q320 PolarHBondContact O-N 3.25Å; Q320-K322 VanDerWaalsContact C-N 3.3Å; Q320-K322 PolarHBondContact O-N 2.85Å; Q320-A323 PolarHBondContact O-N 3.24Å; Q320-M324 WeakPolarHBondContact O-CB 3.45Å; Q320-M324 PolarHBondContact O-N 3.31Å |
| 321 | E | 97.8 | Very high | 97 | Very high | 89 Ų | 89 | 94.9 Ų | 94.9 | 42% | 0.416 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.5 | -36.6 | 177.1 | -160.9 | -143.2 | -173.1 | 0 | 0 | 111.8 | T317 I319 K325 | T317-E321 WeakPolarHBondContact O-CB 3.43Å; T317-E321 PolarHBondContact O-N 3.37Å; I319-E321 PolarHBondContact O-N 3.02Å; E321-K325 WeakPolarHBondContact O-CD 3.33Å; E321-K325 VanDerWaalsContact O-CG 3.26Å; E321-K325 WeakPolarHBondContact O-CG 3.39Å; E321-K325 PolarHBondContact O-N 2.84Å; E321-K325 WeakPolarHBondContact OE1-CE 3.47Å; E321-K325 IonicContact OE1-NZ 3.61Å; E321-K325 PolarHBondContact OE1-NZ 2.85Å; E321-K325 IonicContact OE2-NZ 2.77Å; E321-K325 PolarHBondContact OE2-NZ 3.44Å |
| 322 | K | 97.2 | Very high | 97.1 | Very high | 138 Ų | 138 | 97.9 Ų | 97.9 | 60% | 0.6 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -70.9 | -42.7 | 173.9 | -71 | -74.4 | -178.9 | 174 | 0 | 112 | K318 I319 Q320 K325 V326 | K318-K322 WeakPolarHBondContact O-CB 3Å; K318-K322 WeakPolarHBondContact O-CG 3.49Å; K318-K322 PolarHBondContact O-N 2.62Å; K318-K322 VanDerWaalsContact O-N 3.1Å; I319-K322 PolarHBondContact O-N 3.47Å; Q320-K322 VanDerWaalsContact C-N 3.3Å; Q320-K322 PolarHBondContact O-N 2.85Å; K322-K325 PolarHBondContact O-N 3.12Å; K322-V326 WeakPolarHBondContact O-CG2 3.38Å; K322-V326 PolarHBondContact O-N 2.93Å |
| 323 | A | 97.5 | Very high | 97.2 | Very high | 44 Ų | 44 | 98.7 Ų | 98.7 | 36% | 0.364 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.9 | -50.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111 | I319 Q320 K325 V326 D327 | I319-A323 WeakPolarHBondContact O-CB 3.4Å; I319-A323 PolarHBondContact O-N 2.88Å; Q320-A323 PolarHBondContact O-N 3.24Å; A323-K325 VanDerWaalsContact C-N 3.27Å; A323-K325 PolarHBondContact O-N 3.45Å; A323-V326 CarbonylContact O-C 3.45Å; A323-V326 WeakPolarHBondContact O-CA 3.5Å; A323-V326 WeakPolarHBondContact O-CB 3.39Å; A323-V326 PolarHBondContact O-N 2.86Å; A323-D327 PolarHBondContact O-N 2.89Å |
| 324 | M | 97.5 | Very high | 97.2 | Very high | 122 Ų | 122 | 100.8 Ų | 100.8 | 60% | 0.601 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.8 | -35.4 | 178.6 | -171.5 | 174.1 | 66.9 | 0 | 0 | 112.8 | Q320 M328 | Q320-M324 WeakPolarHBondContact O-CB 3.45Å; Q320-M324 PolarHBondContact O-N 3.31Å; M324-M328 WeakPolarHBondContact O-CB 3.28Å; M324-M328 PolarHBondContact O-N 3.47Å |
| 325 | K | 96.7 | Very high | 97.2 | Very high | 105 Ų | 105 | 101 Ų | 101 | 46% | 0.457 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.8 | -40.6 | 172 | -75.2 | 167.2 | -172.8 | 169.3 | 0 | 112.1 | E321 K322 A323 D329 | E321-K325 WeakPolarHBondContact O-CD 3.33Å; E321-K325 VanDerWaalsContact O-CG 3.26Å; E321-K325 WeakPolarHBondContact O-CG 3.39Å; E321-K325 PolarHBondContact O-N 2.84Å; E321-K325 WeakPolarHBondContact OE1-CE 3.47Å; E321-K325 IonicContact OE1-NZ 3.61Å; E321-K325 PolarHBondContact OE1-NZ 2.85Å; E321-K325 IonicContact OE2-NZ 2.77Å; E321-K325 PolarHBondContact OE2-NZ 3.44Å; K322-K325 PolarHBondContact O-N 3.12Å; A323-K325 VanDerWaalsContact C-N 3.27Å; A323-K325 PolarHBondContact O-N 3.45Å; K325-D329 WeakPolarHBondContact O-CB 3.4Å; K325-D329 PolarHBondContact O-N 2.7Å |
| 326 | V | 98.2 | Very high | 97.1 | Very high | 81 Ų | 81 | 99.5 Ų | 99.5 | 49% | 0.491 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.3 | -44.4 | 176.4 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | K322 A323 M328 D329 I330 | K322-V326 WeakPolarHBondContact O-CG2 3.38Å; K322-V326 PolarHBondContact O-N 2.93Å; A323-V326 CarbonylContact O-C 3.45Å; A323-V326 WeakPolarHBondContact O-CA 3.5Å; A323-V326 WeakPolarHBondContact O-CB 3.39Å; A323-V326 PolarHBondContact O-N 2.86Å; V326-M328 PolarHBondContact O-N 3.44Å; V326-D329 CarbonylContact O-C 3.57Å; V326-D329 WeakPolarHBondContact O-CB 3.35Å; V326-D329 PolarHBondContact O-N 3Å; V326-D329 VanDerWaalsContact O-N 3.12Å; V326-I330 HydrophobicContact CG1-CD1 3.74Å; V326-I330 HydrophobicContact CG1-CG1 4.33Å; V326-I330 WeakPolarHBondContact O-CG1 3.49Å; V326-I330 PolarHBondContact O-N 3.43Å |
| 327 | D | 97.1 | Very high | 97.1 | Very high | 92 Ų | 92 | 99.6 Ų | 99.6 | 49% | 0.492 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 178.5 | -70 | -28.7 | 0 | 0 | 0 | 112 | A323 D329 I330 C331 | A323-D327 PolarHBondContact O-N 2.89Å; D327-D329 PolarHBondContact O-N 3.25Å; D327-I330 PolarHBondContact O-N 2.92Å; D327-I330 VanDerWaalsContact O-N 3.16Å; D327-C331 PolarHBondContact O-N 2.72Å; D327-C331 PolarHBondContact O-SG 3.04Å; D327-C331 VanDerWaalsContact O-SG 3.41Å |
| 328 | M | 97.6 | Very high | 97.1 | Very high | 130 Ų | 130 | 97.6 Ų | 97.6 | 64% | 0.64 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -56.5 | -40.3 | 173.7 | -166 | 66 | 60.6 | 0 | 0 | 111.8 | M324 V326 R332 | M324-M328 WeakPolarHBondContact O-CB 3.28Å; M324-M328 PolarHBondContact O-N 3.47Å; V326-M328 PolarHBondContact O-N 3.44Å; M328-R332 WeakPolarHBondContact O-CB 3.44Å; M328-R332 PolarHBondContact O-N 3.01Å |
| 329 | D | 97.4 | Very high | 97 | Very high | 75 Ų | 75 | 98.8 Ų | 98.8 | 40% | 0.401 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -76.9 | -26.2 | -178.9 | -144.3 | 53.1 | 0 | 0 | 0 | 112.8 | K325 V326 D327 R333 | K325-D329 WeakPolarHBondContact O-CB 3.4Å; K325-D329 PolarHBondContact O-N 2.7Å; V326-D329 CarbonylContact O-C 3.57Å; V326-D329 WeakPolarHBondContact O-CB 3.35Å; V326-D329 PolarHBondContact O-N 3Å; V326-D329 VanDerWaalsContact O-N 3.12Å; D327-D329 PolarHBondContact O-N 3.25Å; D329-R333 WeakPolarHBondContact O-CB 3.45Å; D329-R333 WeakPolarHBondContact O-CG 3.42Å; D329-R333 PolarHBondContact O-N 3.42Å; D329-R333 PolarHBondContact O-NE 3.24Å; D329-R333 IonicContact OD2-CZ 3.25Å; D329-R333 IonicContact OD2-NE 3.71Å; D329-R333 IonicContact OD2-NH2 3.68Å; D329-R333 PolarHBondContact OD2-NH2 3.31Å |
| 330 | I | 96.3 | Very high | 96.9 | Very high | 72 Ų | 72 | 99.5 Ų | 99.5 | 37% | 0.369 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72.1 | -51.2 | 169.5 | -71.2 | 167.4 | 0 | 0 | 0 | 109.9 | V326 D327 R332 R333 I334 | V326-I330 HydrophobicContact CG1-CD1 3.74Å; V326-I330 HydrophobicContact CG1-CG1 4.33Å; V326-I330 WeakPolarHBondContact O-CG1 3.49Å; V326-I330 PolarHBondContact O-N 3.43Å; D327-I330 PolarHBondContact O-N 2.92Å; D327-I330 VanDerWaalsContact O-N 3.16Å; I330-R332 PolarHBondContact O-N 3.09Å; I330-R333 WeakPolarHBondContact O-CB 3.35Å; I330-R333 PolarHBondContact O-N 3.38Å; I330-I334 HydrophobicContact CG2-CD1 3.75Å; I330-I334 HydrophobicContact CG2-CG1 4.42Å; I330-I334 WeakPolarHBondContact O-CG1 3.33Å; I330-I334 PolarHBondContact O-N 3.35Å |
| 331 | C | 96.8 | Very high | 96.8 | Very high | 70 Ų | 70 | 97.3 Ų | 97.3 | 47% | 0.473 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -54.4 | -50.9 | 176.2 | -72.2 | 0 | 0 | 0 | 0 | 111.2 | D327 R333 I334 D335 | D327-C331 PolarHBondContact O-N 2.72Å; D327-C331 PolarHBondContact O-SG 3.04Å; D327-C331 VanDerWaalsContact O-SG 3.41Å; C331-R333 VanDerWaalsContact C-N 3.28Å; C331-R333 PolarHBondContact O-N 2.69Å; C331-I334 WeakPolarHBondContact O-CB 3.49Å; C331-I334 PolarHBondContact O-N 2.84Å; C331-I334 VanDerWaalsContact O-N 3.09Å; C331-D335 PolarHBondContact O-N 2.89Å |
| 332 | R | 97.1 | Very high | 96.6 | Very high | 157 Ų | 157 | 97.2 Ų | 97.2 | 59% | 0.592 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -58.6 | -37.1 | 176.6 | -176 | -176.5 | 130.6 | 78.7 | 4.2 | 112.8 | M328 I330 I336 | M328-R332 WeakPolarHBondContact O-CB 3.44Å; M328-R332 PolarHBondContact O-N 3.01Å; I330-R332 PolarHBondContact O-N 3.09Å; R332-I336 HydrophobicContact CG-CD1 4.08Å; R332-I336 WeakPolarHBondContact O-CD1 3.45Å; R332-I336 VanDerWaalsContact O-CG1 3.25Å; R332-I336 WeakPolarHBondContact O-CG1 3.35Å; R332-I336 PolarHBondContact O-N 3.13Å; R332-I336 VanDerWaalsContact O-N 3.09Å |
| 333 | R | 97.1 | Very high | 96.5 | Very high | 138 Ų | 138 | 95 Ų | 95 | 52% | 0.521 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.5 | -39.5 | 175.1 | -86.9 | 179.5 | -93.5 | -178.4 | -14.5 | 112.4 | D329 I330 C331 T337 | D329-R333 WeakPolarHBondContact O-CB 3.45Å; D329-R333 WeakPolarHBondContact O-CG 3.42Å; D329-R333 PolarHBondContact O-N 3.42Å; D329-R333 PolarHBondContact O-NE 3.24Å; D329-R333 IonicContact OD2-CZ 3.25Å; D329-R333 IonicContact OD2-NE 3.71Å; D329-R333 IonicContact OD2-NH2 3.68Å; D329-R333 PolarHBondContact OD2-NH2 3.31Å; I330-R333 WeakPolarHBondContact O-CB 3.35Å; I330-R333 PolarHBondContact O-N 3.38Å; C331-R333 VanDerWaalsContact C-N 3.28Å; C331-R333 PolarHBondContact O-N 2.69Å; R333-T337 VanDerWaalsContact O-CB 3.32Å; R333-T337 WeakPolarHBondContact O-CB 3.45Å; R333-T337 PolarHBondContact O-N 2.96Å; R333-T337 PolarHBondContact O-OG1 2.92Å |
| 334 | I | 96 | Very high | 96.2 | Very high | 104 Ų | 104 | 95.6 Ų | 95.6 | 53% | 0.533 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62 | -46.7 | 174.4 | -67.9 | 166.6 | 0 | 0 | 0 | 109.7 | I330 C331 I336 T337 A338 | I330-I334 HydrophobicContact CG2-CD1 3.75Å; I330-I334 HydrophobicContact CG2-CG1 4.42Å; I330-I334 WeakPolarHBondContact O-CG1 3.33Å; I330-I334 PolarHBondContact O-N 3.35Å; C331-I334 WeakPolarHBondContact O-CB 3.49Å; C331-I334 PolarHBondContact O-N 2.84Å; C331-I334 VanDerWaalsContact O-N 3.09Å; I334-I336 PolarHBondContact O-N 3.11Å; I334-T337 PolarHBondContact O-N 3.5Å; I334-A338 WeakPolarHBondContact O-CB 3.39Å; I334-A338 PolarHBondContact O-N 3.17Å |
| 335 | D | 96.1 | Very high | 95.9 | Very high | 105 Ų | 105 | 96.5 Ų | 96.5 | 56% | 0.561 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.9 | -47.5 | 178.2 | -70.2 | -28.3 | 0 | 0 | 0 | 112.8 | C331 T337 A338 K339 | C331-D335 PolarHBondContact O-N 2.89Å; D335-T337 VanDerWaalsContact C-N 3.31Å; D335-T337 PolarHBondContact O-N 2.92Å; D335-A338 PolarHBondContact O-N 3.39Å; D335-K339 WeakPolarHBondContact O-CG 3.44Å; D335-K339 PolarHBondContact O-N 3.43Å |
| 336 | I | 96.5 | Very high | 95.5 | Very high | 73 Ų | 73 | 96.7 Ų | 96.7 | 37% | 0.374 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 176.7 | -68.5 | 165.7 | 0 | 0 | 0 | 110.3 | R332 I334 K339 L340 | R332-I336 HydrophobicContact CG-CD1 4.08Å; R332-I336 WeakPolarHBondContact O-CD1 3.45Å; R332-I336 VanDerWaalsContact O-CG1 3.25Å; R332-I336 WeakPolarHBondContact O-CG1 3.35Å; R332-I336 PolarHBondContact O-N 3.13Å; R332-I336 VanDerWaalsContact O-N 3.09Å; I334-I336 PolarHBondContact O-N 3.11Å; I336-K339 PolarHBondContact O-N 3.24Å; I336-L340 HydrophobicContact CG2-CD1 3.98Å; I336-L340 HydrophobicContact CG2-CG 4.46Å; I336-L340 WeakPolarHBondContact O-CG 3.46Å; I336-L340 PolarHBondContact O-N 3.1Å |
| 337 | T | 96.8 | Very high | 94.7 | Very high | 80 Ų | 80 | 101.5 Ų | 101.5 | 49% | 0.491 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.2 | -44.3 | 178.4 | -55.6 | 0 | 0 | 0 | 0 | 111 | R333 I334 D335 K339 L340 C341 | R333-T337 VanDerWaalsContact O-CB 3.32Å; R333-T337 WeakPolarHBondContact O-CB 3.45Å; R333-T337 PolarHBondContact O-N 2.96Å; R333-T337 PolarHBondContact O-OG1 2.92Å; I334-T337 PolarHBondContact O-N 3.5Å; D335-T337 VanDerWaalsContact C-N 3.31Å; D335-T337 PolarHBondContact O-N 2.92Å; T337-K339 PolarHBondContact O-N 3Å; T337-L340 PolarHBondContact O-N 3.24Å; T337-C341 PolarHBondContact O-N 3.05Å; T337-C341 PolarHBondContact O-SG 2.92Å; T337-C341 VanDerWaalsContact O-SG 3.36Å |
| 338 | A | 96.9 | Very high | 93.8 | Very high | 47 Ų | 47 | 102.4 Ų | 102.4 | 39% | 0.388 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.9 | -45.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I334 D335 L340 C341 D342 | I334-A338 WeakPolarHBondContact O-CB 3.39Å; I334-A338 PolarHBondContact O-N 3.17Å; D335-A338 PolarHBondContact O-N 3.39Å; A338-L340 VanDerWaalsContact C-N 3.34Å; A338-L340 PolarHBondContact O-N 3.44Å; A338-C341 WeakPolarHBondContact O-CB 3.44Å; A338-C341 PolarHBondContact O-N 2.97Å; A338-D342 PolarHBondContact O-N 2.92Å |
| 339 | K | 95.9 | Very high | 92.7 | Very high | 137 Ų | 137 | 99 Ų | 99 | 60% | 0.596 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.5 | -36.3 | 176 | -70.1 | -71.3 | 155.1 | -138.2 | 0 | 113.4 | D335 I336 T337 D342 V343 | D335-K339 WeakPolarHBondContact O-CG 3.44Å; D335-K339 PolarHBondContact O-N 3.43Å; I336-K339 PolarHBondContact O-N 3.24Å; T337-K339 PolarHBondContact O-N 3Å; K339-D342 IonicContact NZ-OD2 3.02Å; K339-D342 PolarHBondContact NZ-OD2 3.47Å; K339-D342 PolarHBondContact O-N 3.13Å; K339-V343 WeakPolarHBondContact O-CG2 3.43Å; K339-V343 PolarHBondContact O-N 3.36Å; K339-V343 VanDerWaalsContact O-N 3.08Å |
| 340 | L | 95.5 | Very high | 91.1 | Very high | 111 Ų | 111 | 99.6 Ų | 99.6 | 58% | 0.581 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -69 | -37.3 | 174.1 | -72.3 | 170.2 | 0 | 0 | 0 | 111.8 | I336 T337 A338 A344 | I336-L340 HydrophobicContact CG2-CD1 3.98Å; I336-L340 HydrophobicContact CG2-CG 4.46Å; I336-L340 WeakPolarHBondContact O-CG 3.46Å; I336-L340 PolarHBondContact O-N 3.1Å; T337-L340 PolarHBondContact O-N 3.24Å; A338-L340 VanDerWaalsContact C-N 3.34Å; A338-L340 PolarHBondContact O-N 3.44Å; L340-A344 VanDerWaalsContact O-CB 3.24Å; L340-A344 WeakPolarHBondContact O-CB 3.43Å; L340-A344 PolarHBondContact O-N 3.4Å |
| 341 | C | 94.2 | Very high | 89.5 | Confident | 74 Ų | 74 | 100.3 Ų | 100.3 | 50% | 0.5 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63 | -46.6 | 171.4 | -70.2 | 0 | 0 | 0 | 0 | 111.8 | T337 A338 V343 A344 Q345 | T337-C341 PolarHBondContact O-N 3.05Å; T337-C341 PolarHBondContact O-SG 2.92Å; T337-C341 VanDerWaalsContact O-SG 3.36Å; A338-C341 WeakPolarHBondContact O-CB 3.44Å; A338-C341 PolarHBondContact O-N 2.97Å; C341-V343 VanDerWaalsContact C-N 3.35Å; C341-V343 PolarHBondContact O-N 2.87Å; C341-A344 PolarHBondContact O-N 3.18Å; C341-Q345 VanDerWaalsContact O-CB 3.26Å; C341-Q345 WeakPolarHBondContact O-CB 3.22Å; C341-Q345 PolarHBondContact O-N 3.44Å |
| 342 | D | 95.1 | Very high | 87.7 | Confident | 87 Ų | 87 | 101.5 Ų | 101.5 | 47% | 0.465 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -53 | -51.2 | 174.9 | -69.3 | -21 | 0 | 0 | 0 | 110.7 | A338 K339 Q345 Q346 | A338-D342 PolarHBondContact O-N 2.92Å; K339-D342 IonicContact NZ-OD2 3.02Å; K339-D342 PolarHBondContact NZ-OD2 3.47Å; K339-D342 PolarHBondContact O-N 3.13Å; D342-Q345 PolarHBondContact O-N 2.81Å; D342-Q346 WeakPolarHBondContact O-CB 3.31Å; D342-Q346 PolarHBondContact O-N 3.42Å |
| 343 | V | 94.8 | Very high | 86.1 | Confident | 91 Ų | 91 | 99 Ų | 99 | 55% | 0.552 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.1 | -42.5 | -178.6 | 170.7 | 0 | 0 | 0 | 0 | 112.2 | K339 C341 Q345 Q346 R347 | K339-V343 WeakPolarHBondContact O-CG2 3.43Å; K339-V343 PolarHBondContact O-N 3.36Å; K339-V343 VanDerWaalsContact O-N 3.08Å; C341-V343 VanDerWaalsContact C-N 3.35Å; C341-V343 PolarHBondContact O-N 2.87Å; V343-Q345 VanDerWaalsContact C-N 3.31Å; V343-Q345 PolarHBondContact O-N 3.32Å; V343-Q346 PolarHBondContact O-N 3.01Å; V343-R347 PolarHBondContact O-N 3.14Å |
| 344 | A | 91.5 | Very high | 84.2 | Confident | 56 Ų | 56 | 98.7 Ų | 98.7 | 46% | 0.463 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.6 | -37.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L340 C341 N348 | L340-A344 VanDerWaalsContact O-CB 3.24Å; L340-A344 WeakPolarHBondContact O-CB 3.43Å; L340-A344 PolarHBondContact O-N 3.4Å; C341-A344 PolarHBondContact O-N 3.18Å; A344-N348 PolarHBondContact O-N 3.31Å |
| 345 | Q | 91.1 | Very high | 82.2 | Confident | 142 Ų | 142 | 99.6 Ų | 99.6 | 66% | 0.664 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -71.1 | -42 | 175.9 | -174.5 | 156.2 | -16.1 | 0 | 0 | 111.6 | C341 D342 V343 R347 N348 C349 | C341-Q345 VanDerWaalsContact O-CB 3.26Å; C341-Q345 WeakPolarHBondContact O-CB 3.22Å; C341-Q345 PolarHBondContact O-N 3.44Å; D342-Q345 PolarHBondContact O-N 2.81Å; V343-Q345 VanDerWaalsContact C-N 3.31Å; V343-Q345 PolarHBondContact O-N 3.32Å; Q345-R347 VanDerWaalsContact C-N 3.32Å; Q345-R347 PolarHBondContact O-N 3.25Å; Q345-N348 WeakPolarHBondContact O-CB 3.32Å; Q345-N348 PolarHBondContact O-N 3.41Å; Q345-N348 VanDerWaalsContact O-N 3.15Å; Q345-C349 PolarHBondContact O-N 3.22Å; Q345-C349 PolarHBondContact O-SG 3.48Å |
| 346 | Q | 87 | Confident | 80.1 | Confident | 109 Ų | 109 | 99.3 Ų | 99.3 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -56.8 | -45.8 | 173.4 | -176.5 | 176.1 | -12 | 0 | 0 | 111.1 | D342 V343 N348 C349 E350 | D342-Q346 WeakPolarHBondContact O-CB 3.31Å; D342-Q346 PolarHBondContact O-N 3.42Å; V343-Q346 PolarHBondContact O-N 3.01Å; Q346-N348 VanDerWaalsContact C-N 3.35Å; Q346-N348 PolarHBondContact O-N 2.82Å; Q346-C349 VanDerWaalsContact CA-SG 3.6Å; Q346-C349 PolarHBondContact O-N 3.1Å; Q346-C349 PolarHBondContact O-SG 3.46Å; Q346-E350 HydrophobicContact CG-CG 4.39Å; Q346-E350 WeakPolarHBondContact CG-OE1 3.5Å; Q346-E350 PolarHBondContact NE2-OE1 3.24Å; Q346-E350 WeakPolarHBondContact O-CB 3.31Å; Q346-E350 WeakPolarHBondContact O-CG 3.4Å; Q346-E350 PolarHBondContact O-N 2.93Å |
| 347 | R | 82.4 | Confident | 77.8 | Confident | 182 Ų | 182 | 103.6 Ų | 103.6 | 69% | 0.687 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.8 | -41 | 176 | -127.3 | -172.8 | -173.7 | 160.4 | 4.3 | 112.6 | V343 Q345 E350 D351 | V343-R347 PolarHBondContact O-N 3.14Å; Q345-R347 VanDerWaalsContact C-N 3.32Å; Q345-R347 PolarHBondContact O-N 3.25Å; R347-E350 PolarHBondContact O-N 2.99Å; R347-D351 WeakPolarHBondContact O-CB 3.34Å; R347-D351 PolarHBondContact O-N 2.86Å |
| 348 | N | 77.8 | Confident | 75.5 | Confident | 111 Ų | 111 | 108.9 Ų | 108.9 | 59% | 0.594 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.5 | -42.6 | 176.7 | -117.8 | -88.3 | 0 | 0 | 0 | 112.3 | A344 Q345 Q346 M352 | A344-N348 PolarHBondContact O-N 3.31Å; Q345-N348 WeakPolarHBondContact O-CB 3.32Å; Q345-N348 PolarHBondContact O-N 3.41Å; Q345-N348 VanDerWaalsContact O-N 3.15Å; Q346-N348 VanDerWaalsContact C-N 3.35Å; Q346-N348 PolarHBondContact O-N 2.82Å; N348-M352 WeakPolarHBondContact O-CB 3.49Å; N348-M352 VanDerWaalsContact O-CG 3.32Å; N348-M352 WeakPolarHBondContact O-CG 3.38Å; N348-M352 PolarHBondContact O-N 3.17Å |
| 349 | C | 74 | Confident | 72.8 | Confident | 57 Ų | 57 | 114 Ų | 114 | 39% | 0.385 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -77.4 | -27.2 | 177 | 62.4 | 0 | 0 | 0 | 0 | 113 | Q345 Q346 I353 | Q345-C349 PolarHBondContact O-N 3.22Å; Q345-C349 PolarHBondContact O-SG 3.48Å; Q346-C349 VanDerWaalsContact CA-SG 3.6Å; Q346-C349 PolarHBondContact O-N 3.1Å; Q346-C349 PolarHBondContact O-SG 3.46Å; C349-I353 VanDerWaalsContact O-CB 3.24Å; C349-I353 WeakPolarHBondContact O-CB 3.32Å; C349-I353 WeakPolarHBondContact O-CD1 3.39Å; C349-I353 WeakPolarHBondContact O-CG1 3.42Å; C349-I353 PolarHBondContact O-N 2.83Å |
| 350 | E | 64.1 | Low | 70.3 | Confident | 88 Ų | 88 | 114.2 Ų | 114.2 | 41% | 0.411 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.4 | -44.6 | 168.4 | -77.4 | 172.3 | -176 | 0 | 0 | 112.1 | Q346 R347 I353 Q354 | Q346-E350 HydrophobicContact CG-CG 4.39Å; Q346-E350 WeakPolarHBondContact CG-OE1 3.5Å; Q346-E350 PolarHBondContact NE2-OE1 3.24Å; Q346-E350 WeakPolarHBondContact O-CB 3.31Å; Q346-E350 WeakPolarHBondContact O-CG 3.4Å; Q346-E350 PolarHBondContact O-N 2.93Å; R347-E350 PolarHBondContact O-N 2.99Å; E350-I353 PolarHBondContact O-N 2.66Å; E350-Q354 WeakPolarHBondContact O-CG 3.48Å; E350-Q354 PolarHBondContact O-N 3.29Å |
| 351 | D | 63 | Low | 67.9 | Low | 88 Ų | 88 | 114.3 Ų | 114.3 | 47% | 0.471 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.5 | -41.1 | 174.1 | -78.7 | -23.9 | 0 | 0 | 0 | 111.5 | R347 Q354 M355 | R347-D351 WeakPolarHBondContact O-CB 3.34Å; R347-D351 PolarHBondContact O-N 2.86Å; D351-Q354 PolarHBondContact O-N 2.97Å; D351-M355 PolarHBondContact O-N 2.93Å |
| 352 | M | 59.2 | Low | 65.2 | Low | 94 Ų | 94 | 118 Ų | 118 | 46% | 0.463 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.4 | -40.9 | 170.5 | -76.6 | -129.1 | -58.6 | 0 | 0 | 111.8 | N348 Q354 M355 F356 | N348-M352 WeakPolarHBondContact O-CB 3.49Å; N348-M352 VanDerWaalsContact O-CG 3.32Å; N348-M352 WeakPolarHBondContact O-CG 3.38Å; N348-M352 PolarHBondContact O-N 3.17Å; M352-Q354 VanDerWaalsContact C-N 3.34Å; M352-Q354 PolarHBondContact O-N 3.46Å; M352-M355 CarbonylContact O-C 3.49Å; M352-M355 PolarHBondContact O-N 2.88Å; M352-F356 HydrophobicContact CB-CD2 4.16Å; M352-F356 HydrophobicContact CB-CE2 4.4Å; M352-F356 HydrophobicContact CE-CE2 4.11Å; M352-F356 VanDerWaalsContact O-CB 3.28Å; M352-F356 WeakPolarHBondContact O-CB 3.48Å; M352-F356 WeakPolarHBondContact O-CD2 3.42Å; M352-F356 PolarHBondContact O-N 3.21Å; M352-F356 HydrophobicContact SD-CD2 4.48Å; M352-F356 HydrophobicContact SD-CE2 3.8Å |
| 353 | I | 62.5 | Low | 62.3 | Low | 104 Ų | 104 | 122.9 Ų | 122.9 | 53% | 0.533 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64.7 | -38.6 | 177.1 | -75.6 | 161.6 | 0 | 0 | 0 | 110.3 | C349 E350 F356 Q357 | C349-I353 VanDerWaalsContact O-CB 3.24Å; C349-I353 WeakPolarHBondContact O-CB 3.32Å; C349-I353 WeakPolarHBondContact O-CD1 3.39Å; C349-I353 WeakPolarHBondContact O-CG1 3.42Å; C349-I353 PolarHBondContact O-N 2.83Å; E350-I353 PolarHBondContact O-N 2.66Å; I353-F356 PolarHBondContact O-N 3.41Å; I353-Q357 WeakPolarHBondContact O-CB 3.48Å; I353-Q357 PolarHBondContact O-N 3.1Å |
| 354 | Q | 57.8 | Low | 59.6 | Low | 133 Ų | 133 | 125.1 Ų | 125.1 | 62% | 0.621 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65.3 | -42.7 | 172.6 | -71.3 | -172.6 | 39.6 | 0 | 0 | 112.2 | E350 D351 M352 K358 | E350-Q354 WeakPolarHBondContact O-CG 3.48Å; E350-Q354 PolarHBondContact O-N 3.29Å; D351-Q354 PolarHBondContact O-N 2.97Å; M352-Q354 VanDerWaalsContact C-N 3.34Å; M352-Q354 PolarHBondContact O-N 3.46Å; Q354-K358 WeakPolarHBondContact O-CB 3.48Å; Q354-K358 PolarHBondContact O-N 2.93Å |
| 355 | M | 54.3 | Low | 57 | Low | 123 Ų | 123 | 127.1 Ų | 127.1 | 61% | 0.606 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -65.3 | -40.3 | 174.3 | -79.6 | -165.4 | -75.3 | 0 | 0 | 112.7 | D351 M352 K358 K359 | D351-M355 PolarHBondContact O-N 2.93Å; M352-M355 CarbonylContact O-C 3.49Å; M352-M355 PolarHBondContact O-N 2.88Å; M355-K358 CarbonylContact O-C 3.56Å; M355-K358 WeakPolarHBondContact O-CB 3.41Å; M355-K358 PolarHBondContact O-N 3.08Å; M355-K359 VanDerWaalsContact O-CB 3.27Å; M355-K359 WeakPolarHBondContact O-CB 3.35Å; M355-K359 PolarHBondContact O-N 2.97Å; M355-K359 VanDerWaalsContact O-N 3.13Å |
| 356 | F | 52.6 | Low | 55.4 | Low | 99 Ų | 99 | 125.4 Ų | 125.4 | 43% | 0.434 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -74.2 | -37.3 | 178.6 | -83.2 | -65.6 | 0 | 0 | 0 | 111.6 | M352 I353 K358 K359 L360 | M352-F356 HydrophobicContact CB-CD2 4.16Å; M352-F356 HydrophobicContact CB-CE2 4.4Å; M352-F356 HydrophobicContact CE-CE2 4.11Å; M352-F356 VanDerWaalsContact O-CB 3.28Å; M352-F356 WeakPolarHBondContact O-CB 3.48Å; M352-F356 WeakPolarHBondContact O-CD2 3.42Å; M352-F356 PolarHBondContact O-N 3.21Å; M352-F356 HydrophobicContact SD-CD2 4.48Å; M352-F356 HydrophobicContact SD-CE2 3.8Å; I353-F356 PolarHBondContact O-N 3.41Å; F356-K358 PolarHBondContact O-N 2.92Å; F356-K359 CarbonylContact O-C 3.55Å; F356-K359 WeakPolarHBondContact O-CA 3.31Å; F356-K359 PolarHBondContact O-N 3.45Å; F356-L360 HydrophobicContact CB-CD1 4.29Å; F356-L360 HydrophobicContact CD1-CD1 3.9Å; F356-L360 VanDerWaalsContact O-CB 3.3Å; F356-L360 WeakPolarHBondContact O-CB 3.31Å; F356-L360 PolarHBondContact O-N 2.76Å |
| 357 | Q | 48.5 | Very low | 52.8 | Low | 163 Ų | 163 | 128.2 Ų | 128.2 | 76% | 0.762 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -62.9 | -25.1 | 171.9 | -161.9 | 172.9 | 30.5 | 0 | 0 | 111.7 | I353 | I353-Q357 WeakPolarHBondContact O-CB 3.48Å; I353-Q357 PolarHBondContact O-N 3.1Å |
| 358 | K | 47.7 | Very low | 50.4 | Low | 191 Ų | 191 | 128.9 Ų | 128.9 | 83% | 0.83 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -9 | 170.3 | -140.3 | 172.4 | -170.2 | 173.6 | 0 | 114.6 | Q354 M355 F356 | Q354-K358 WeakPolarHBondContact O-CB 3.48Å; Q354-K358 PolarHBondContact O-N 2.93Å; M355-K358 CarbonylContact O-C 3.56Å; M355-K358 WeakPolarHBondContact O-CB 3.41Å; M355-K358 PolarHBondContact O-N 3.08Å; F356-K358 PolarHBondContact O-N 2.92Å |
| 359 | K | 39.9 | Very low | 48.6 | Very low | 155 Ų | 155 | 129.7 Ų | 129.7 | 67% | 0.674 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.4 | -16.1 | -173.5 | -162.9 | 172.5 | -177.7 | -180 | 0 | 114.5 | M355 F356 S361 L362 | M355-K359 VanDerWaalsContact O-CB 3.27Å; M355-K359 WeakPolarHBondContact O-CB 3.35Å; M355-K359 PolarHBondContact O-N 2.97Å; M355-K359 VanDerWaalsContact O-N 3.13Å; F356-K359 CarbonylContact O-C 3.55Å; F356-K359 WeakPolarHBondContact O-CA 3.31Å; F356-K359 PolarHBondContact O-N 3.45Å; K359-S361 PolarHBondContact O-N 3.16Å; K359-L362 PolarHBondContact O-N 3.36Å |
| 360 | L | 42.5 | Very low | 46.8 | Very low | 140 Ų | 140 | 132.9 Ų | 132.9 | 73% | 0.733 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | 26.4 | 176.5 | -118 | 73.2 | 0 | 0 | 0 | 113.5 | F356 L362 | F356-L360 HydrophobicContact CB-CD1 4.29Å; F356-L360 HydrophobicContact CD1-CD1 3.9Å; F356-L360 VanDerWaalsContact O-CB 3.3Å; F356-L360 WeakPolarHBondContact O-CB 3.31Å; F356-L360 PolarHBondContact O-N 2.76Å; L360-L362 VanDerWaalsContact C-N 3.27Å |
| 361 | S | 45.4 | Very low | 45.8 | Very low | 113 Ų | 113 | 133.9 Ų | 133.9 | 79% | 0.79 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -8.1 | 157.5 | -75.4 | 0 | 0 | 0 | 0 | 112.7 | K359 | K359-S361 PolarHBondContact O-N 3.16Š|
| 362 | L | 37.7 | Very low | 44.3 | Very low | 151 Ų | 151 | 138.4 Ų | 138.4 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -137.3 | 100.2 | -175.8 | -71.4 | 174.6 | 0 | 0 | 0 | 115.3 | K359 L360 | K359-L362 PolarHBondContact O-N 3.36Å; L360-L362 VanDerWaalsContact C-N 3.27Å |
| 363 | H | 34.1 | Very low | 42.8 | Very low | 191 Ų | 191 | 137.4 Ų | 137.4 | 88% | 0.884 | 74% | 0.736 | S | S | * | * | trans | 74.2 | 152.3 | 139.8 | -149 | -93.3 | 0 | 0 | 0 | 120.9 | ||||
| 364 | L | 38.5 | Very low | 41.3 | Very low | 138 Ų | 138 | 136 Ų | 136 | 72% | 0.723 | 75% | 0.747 | S | S | * | * | trans | -128.9 | 133.6 | -159.7 | -164.8 | 83.6 | 0 | 0 | 0 | 112.7 | ||||
| 365 | S | 36.3 | Very low | 40.1 | Very low | 97 Ų | 97 | 140.9 Ų | 140.9 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | trans | 62.2 | 169.9 | 148.8 | 68.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 366 | P | 58.4 | Low | 38.9 | Very low | 107 Ų | 107 | 142.4 Ų | 142.4 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | cis | -134 | -173.2 | -36.7 | 27.7 | -6.1 | 0 | 0 | 0 | 113.7 | ||||
| 367 | I | 31.4 | Very low | 37.8 | Very low | 167 Ų | 167 | 146.6 Ų | 146.6 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | trans | 135.2 | 145.8 | 144.2 | -67.2 | 166.2 | 0 | 0 | 0 | 116.7 | ||||
| 368 | K | 32.6 | Very low | 36.8 | Very low | 196 Ų | 196 | 144.2 Ų | 144.2 | 85% | 0.852 | 77% | 0.765 | S | S | * | * | trans | -58.4 | 161.9 | -162.5 | -88.9 | 168.6 | 168.1 | 172 | 0 | 122 | ||||
| 369 | V | 40.9 | Very low | 36 | Very low | 129 Ų | 129 | 146 Ų | 146 | 78% | 0.782 | 77% | 0.767 | S | S | * | * | trans | -53 | 162.3 | 168.1 | -136.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 370 | P | 35.8 | Very low | 35.6 | Very low | 124 Ų | 124 | 147.3 Ų | 147.3 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | -144.7 | -178.5 | 97.3 | 40.6 | -25.2 | 0 | 0 | 0 | 117.3 | |||||
| 371 | S | 41.9 | Very low | 35 | Very low | 109 Ų | 109 | 145 Ų | 145 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | -60.8 | -173.5 | -173.1 | -164.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 372 | M | 31.6 | Very low | 34.2 | Very low | 183 Ų | 183 | 143.5 Ų | 143.5 | 90% | 0.901 | 77% | 0.768 | S | S | * | * | trans | 87.6 | 143.8 | -179.2 | -49.3 | -64.3 | -83.2 | 0 | 0 | 114.7 | ||||
| 373 | G | 29.3 | Very low | 33.9 | Very low | 72 Ų | 72 | 141.8 Ų | 141.8 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | cis | 158.8 | 87.8 | -3.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 374 | G | 30.4 | Very low | 33.9 | Very low | 75 Ų | 75 | 140.6 Ų | 140.6 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | 85.1 | 168.5 | 150.7 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 375 | R | 32.8 | Very low | 33.6 | Very low | 236 Ų | 236 | 142.3 Ų | 142.3 | 89% | 0.891 | 76% | 0.762 | S | S | * | * | trans | 76.9 | 145.7 | 166.6 | -63.4 | 178.2 | 178.6 | -158.9 | -2.7 | 116.1 | ||||
| 376 | K | 27.5 | Very low | 33.3 | Very low | 155 Ų | 155 | 144.6 Ų | 144.6 | 67% | 0.674 | 77% | 0.767 | S | S | * | * | cis | -152.7 | 149.9 | 3 | -119.2 | -178.7 | 171.6 | -172.7 | 0 | 107.3 | ||||
| 377 | R | 29.4 | Very low | 31.9 | Very low | 187 Ų | 187 | 145.4 Ų | 145.4 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | 57.7 | 132.7 | 86.4 | -146.7 | -169.6 | 157.1 | 165.5 | -14.7 | 111.1 | |||||
| 378 | E | 28.9 | Very low | 31.8 | Very low | 112 Ų | 112 | 142.2 Ų | 142.2 | 52% | 0.523 | 76% | 0.763 | S | S | . | * | cis | -176 | 158.7 | 41.9 | -154 | 156.9 | -164.7 | 0 | 0 | 108.3 | ||||
| 379 | R | 31.4 | Very low | 31.8 | Very low | 230 Ų | 230 | 141.1 Ų | 141.1 | 87% | 0.868 | 77% | 0.765 | S | S | * | * | -169.8 | 151.5 | 57.2 | -75.8 | 170.5 | 171.9 | 164.8 | -4.3 | 106.9 | |||||
| 380 | K | 30.5 | Very low | 31.4 | Very low | 182 Ų | 182 | 140.9 Ų | 140.9 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | cis | 76.9 | 107.9 | 21.1 | -159.1 | 177.5 | -175.4 | -178.4 | 0 | 118.2 | ||||
| 381 | A | 30.1 | Very low | 31.2 | Very low | 91 Ų | 91 | 144 Ų | 144 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | -146 | 130.3 | 136 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 382 | A | 27.8 | Very low | 30.7 | Very low | 82 Ų | 82 | 144.6 Ų | 144.6 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | 70.3 | 136.3 | 55.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 383 | V | 32.3 | Very low | 30.7 | Very low | 114 Ų | 114 | 145 Ų | 145 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | cis | -157.2 | 148.6 | 16 | 93 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 384 | E | 33 | Very low | 30.9 | Very low | 166 Ų | 166 | 145 Ų | 145 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | 49.9 | 151 | 110.4 | -61 | 167.7 | -164.4 | 0 | 0 | 116.1 | |||||
| 385 | E | 32.3 | Very low | 31.7 | Very low | 174 Ų | 174 | 146.8 Ų | 146.8 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | cis | -155.7 | -174.6 | 18.3 | -148.2 | 177.8 | -177.1 | 0 | 0 | 111.3 | ||||
| 386 | D | 30.3 | Very low | 31.6 | Very low | 146 Ų | 146 | 146.7 Ų | 146.7 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | trans | -71.3 | 175.8 | 178.9 | -68.3 | -67.6 | 0 | 0 | 0 | 115.7 | ||||
| 387 | T | 28.7 | Very low | 32.1 | Very low | 124 Ų | 124 | 147.8 Ų | 147.8 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | 139.6 | 132.8 | 125.6 | -51.8 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 388 | S | 30.9 | Very low | 32.8 | Very low | 99 Ų | 99 | 143.8 Ų | 143.8 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | trans | 59.2 | 122.3 | 153.3 | 66.1 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 389 | L | 32.4 | Very low | 32.9 | Very low | 174 Ų | 174 | 145.8 Ų | 145.8 | 91% | 0.911 | 80% | 0.795 | S | S | * | * | 19.2 | 135.9 | 117.2 | -58.4 | 169.2 | 0 | 0 | 0 | 120.4 | |||||
| 390 | S | 30.9 | Very low | 33 | Very low | 123 Ų | 123 | 137.7 Ų | 137.7 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | -156.8 | 148.1 | 136.8 | -169.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 391 | E | 33.2 | Very low | 33.7 | Very low | 189 Ų | 189 | 136.5 Ų | 136.5 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | -93.2 | 165.1 | 178.2 | -57.6 | 160.7 | 117.9 | 0 | 0 | 111.8 | ||||
| 392 | S | 31.2 | Very low | 34.8 | Very low | 122 Ų | 122 | 140.4 Ų | 140.4 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -162.7 | 135.8 | 152.6 | -174.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 393 | E | 30.9 | Very low | 35.6 | Very low | 191 Ų | 191 | 144.5 Ų | 144.5 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | trans | -76.8 | 170.5 | 176.1 | -64.7 | -179.1 | 104.1 | 0 | 0 | 113.6 | ||||
| 394 | G | 33.3 | Very low | 36.1 | Very low | 74 Ų | 74 | 145.8 Ų | 145.8 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | trans | -83.8 | -134.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 395 | P | 48.1 | Very low | 36.9 | Very low | 112 Ų | 112 | 142.3 Ų | 142.3 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | cis | -133 | 176 | -3 | 42.7 | -27.7 | 0 | 0 | 0 | 115 | ||||
| 396 | R | 30.6 | Very low | 37.8 | Very low | 233 Ų | 233 | 138.3 Ų | 138.3 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | trans | 178.6 | 119.7 | 135.6 | -101.5 | 172.4 | -169.2 | 90.2 | -2.2 | 114 | ||||
| 397 | Q | 37.2 | Very low | 38.8 | Very low | 179 Ų | 179 | 134.1 Ų | 134.1 | 84% | 0.836 | 76% | 0.759 | S | S | * | * | trans | -88.3 | 168.6 | 147.4 | -114.7 | 178.1 | -28.7 | 0 | 0 | 108.3 | ||||
| 398 | P | 44.2 | Very low | 40.1 | Very low | 102 Ų | 102 | 132.9 Ų | 132.9 | 66% | 0.662 | 75% | 0.747 | S | S | * | * | cis | -132.8 | -168.7 | 42.7 | 41.6 | -21.8 | 0 | 0 | 0 | 112.8 | ||||
| 399 | D | 30.6 | Very low | 41.5 | Very low | 154 Ų | 154 | 131.6 Ų | 131.6 | 82% | 0.824 | 74% | 0.738 | S | S | * | * | cis | -142.7 | 160.2 | 11.4 | -72.2 | -74 | 0 | 0 | 0 | 109.3 | ||||
| 400 | G | 33.9 | Very low | 43.1 | Very low | 60 Ų | 60 | 128.8 Ų | 128.8 | 62% | 0.619 | 72% | 0.723 | S | S | * | * | trans | 165.3 | 46 | 169.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | E402 | G400-E402 PolarHBondContact O-N 2.94Š| ||
| 401 | D | 45.6 | Very low | 45 | Very low | 157 Ų | 157 | 127.1 Ų | 127.1 | 84% | 0.84 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | 35.4 | -171.4 | -59.3 | -30.7 | 0 | 0 | 0 | 116.7 | ||
| 402 | E | 52.6 | Low | 46.9 | Very low | 174 Ų | 174 | 123.4 Ų | 123.4 | 81% | 0.813 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | -16.7 | -176.5 | -69.1 | -82 | 152.9 | 0 | 0 | 114.6 | G400 | G400-E402 PolarHBondContact O-N 2.94Š|
| 403 | E | 44.7 | Very low | 48.8 | Very low | 168 Ų | 168 | 123.8 Ų | 123.8 | 79% | 0.785 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -93.1 | -17.3 | -177.8 | -74.7 | -169.2 | 139.7 | 0 | 0 | 115.2 | T406 | E403-T406 PolarHBondContact O-OG1 2.94Š|
| 404 | E | 42.9 | Very low | 50.6 | Low | 141 Ų | 141 | 119.3 Ų | 119.3 | 66% | 0.659 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -76.2 | -29.2 | -174.7 | -163.8 | 169.2 | -164.9 | 0 | 0 | 113.1 | T406 A407 L408 | E404-T406 PolarHBondContact O-N 3.1Å; E404-A407 PolarHBondContact O-N 3.37Å; E404-L408 HydrophobicContact CG-CD1 4.14Å; E404-L408 HydrophobicContact CG-CG 4.42Å; E404-L408 WeakPolarHBondContact O-CG 3.45Å; E404-L408 PolarHBondContact O-N 3.36Å; E404-L408 VanDerWaalsContact O-N 3.14Å |
| 405 | S | 49.5 | Very low | 52.5 | Low | 92 Ų | 92 | 120.4 Ų | 120.4 | 64% | 0.643 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -67.7 | -30.9 | -177.8 | -72.4 | 0 | 0 | 0 | 0 | 114 | S409 | S405-S409 PolarHBondContact O-N 2.88Å |
| 406 | T | 52.6 | Low | 53.9 | Low | 91 Ų | 91 | 122.3 Ų | 122.3 | 56% | 0.558 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -78.3 | -37.9 | 177.9 | 51.2 | 0 | 0 | 0 | 0 | 111.7 | E403 E404 S409 I410 | E403-T406 PolarHBondContact O-OG1 2.94Å; E404-T406 PolarHBondContact O-N 3.1Å; T406-S409 PolarHBondContact O-N 3.29Å; T406-I410 WeakPolarHBondContact O-CG1 3.47Å; T406-I410 PolarHBondContact O-N 2.95Å |
| 407 | A | 49.8 | Very low | 55.4 | Low | 58 Ų | 58 | 116.9 Ų | 116.9 | 48% | 0.479 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -63 | -40.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E404 N411 | E404-A407 PolarHBondContact O-N 3.37Å; A407-N411 PolarHBondContact O-N 2.74Å |
| 408 | L | 56.7 | Low | 56.9 | Low | 98 Ų | 98 | 112.6 Ų | 112.6 | 51% | 0.513 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -66.6 | -40.3 | 176.7 | -69.1 | 171.1 | 0 | 0 | 0 | 112.5 | E404 I410 N411 E412 | E404-L408 HydrophobicContact CG-CD1 4.14Å; E404-L408 HydrophobicContact CG-CG 4.42Å; E404-L408 WeakPolarHBondContact O-CG 3.45Å; E404-L408 PolarHBondContact O-N 3.36Å; E404-L408 VanDerWaalsContact O-N 3.14Å; L408-I410 PolarHBondContact O-N 3.01Å; L408-N411 PolarHBondContact O-N 2.8Å; L408-E412 PolarHBondContact O-N 3.41Å |
| 409 | S | 60.3 | Low | 58.1 | Low | 72 Ų | 72 | 112 Ų | 112 | 50% | 0.503 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.9 | -40.6 | 178.9 | -171.5 | 0 | 0 | 0 | 0 | 113.1 | S405 T406 E412 E413 | S405-S409 PolarHBondContact O-N 2.88Å; T406-S409 PolarHBondContact O-N 3.29Å; S409-E412 PolarHBondContact O-N 3.3Å; S409-E413 PolarHBondContact O-N 3.32Å; S409-E413 VanDerWaalsContact O-N 3.15Å |
| 410 | I | 66.4 | Low | 59.6 | Low | 115 Ų | 115 | 111.1 Ų | 111.1 | 59% | 0.59 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -68.4 | -40.9 | 179.6 | -66.7 | 165.8 | 0 | 0 | 0 | 110.6 | T406 L408 E412 E413 M414 | T406-I410 WeakPolarHBondContact O-CG1 3.47Å; T406-I410 PolarHBondContact O-N 2.95Å; L408-I410 PolarHBondContact O-N 3.01Å; I410-E412 VanDerWaalsContact C-N 3.35Å; I410-E412 PolarHBondContact O-N 3.25Å; I410-E413 PolarHBondContact O-N 2.96Å; I410-M414 PolarHBondContact O-N 3.48Å |
| 411 | N | 71.4 | Confident | 60.6 | Low | 88 Ų | 88 | 115.1 Ų | 115.1 | 47% | 0.471 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.2 | -42.9 | 178 | -163.4 | 24.4 | 0 | 0 | 0 | 111 | A407 L408 E413 M414 Q415 | A407-N411 PolarHBondContact O-N 2.74Å; L408-N411 PolarHBondContact O-N 2.8Å; N411-E413 VanDerWaalsContact C-N 3.35Å; N411-E413 PolarHBondContact O-N 2.86Å; N411-M414 PolarHBondContact O-N 2.96Å; N411-Q415 WeakPolarHBondContact O-CB 3.49Å; N411-Q415 PolarHBondContact O-N 3.26Å |
| 412 | E | 73.1 | Confident | 61 | Low | 111 Ų | 111 | 117 Ų | 117 | 52% | 0.519 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61 | -36.4 | 174.2 | -99.1 | -156.7 | -140.8 | 0 | 0 | 114.2 | L408 S409 I410 R416 | L408-E412 PolarHBondContact O-N 3.41Å; S409-E412 PolarHBondContact O-N 3.3Å; I410-E412 VanDerWaalsContact C-N 3.35Å; I410-E412 PolarHBondContact O-N 3.25Å; E412-R416 WeakPolarHBondContact O-CG 3.38Å; E412-R416 PolarHBondContact O-N 2.89Å; E412-R416 VanDerWaalsContact O-N 3.11Å; E412-R416 PolarHBondContact O-NH1 2.97Å; E412-R416 IonicContact OE2-CZ 3.7Å; E412-R416 IonicContact OE2-NH1 2.55Å; E412-R416 PolarHBondContact OE2-NH1 2.67Å; E412-R416 IonicContact OE2-NH2 2.74Å; E412-R416 PolarHBondContact OE2-NH2 2.91Å |
| 413 | E | 70.4 | Confident | 60.8 | Low | 130 Ų | 130 | 116.9 Ų | 116.9 | 61% | 0.607 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -74.4 | -41.4 | 178.3 | -170.7 | 168.7 | -155.6 | 0 | 0 | 111.6 | S409 I410 N411 Q415 R416 M417 | S409-E413 PolarHBondContact O-N 3.32Å; S409-E413 VanDerWaalsContact O-N 3.15Å; I410-E413 PolarHBondContact O-N 2.96Å; N411-E413 VanDerWaalsContact C-N 3.35Å; N411-E413 PolarHBondContact O-N 2.86Å; E413-Q415 VanDerWaalsContact C-N 3.34Å; E413-Q415 PolarHBondContact O-N 3.28Å; E413-R416 PolarHBondContact O-N 2.92Å; E413-M417 PolarHBondContact O-N 2.96Å |
| 414 | M | 69.1 | Low | 60.9 | Low | 96 Ų | 96 | 117.4 Ų | 117.4 | 47% | 0.473 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.4 | -39 | 173.9 | -163.4 | -178.2 | 71.8 | 0 | 0 | 111.7 | I410 N411 M417 L418 | I410-M414 PolarHBondContact O-N 3.48Å; N411-M414 PolarHBondContact O-N 2.96Å; M414-M417 PolarHBondContact O-N 3.48Å; M414-L418 HydrophobicContact CG-CD1 4.43Å; M414-L418 WeakPolarHBondContact O-CB 3.47Å; M414-L418 WeakPolarHBondContact O-CG 3.36Å; M414-L418 PolarHBondContact O-N 3.36Å |
| 415 | Q | 73.3 | Confident | 60.9 | Low | 98 Ų | 98 | 117.9 Ų | 117.9 | 46% | 0.458 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65 | -36.8 | 173.4 | -127.2 | 70.7 | -9.6 | 0 | 0 | 112.3 | N411 E413 L418 N419 | N411-Q415 WeakPolarHBondContact O-CB 3.49Å; N411-Q415 PolarHBondContact O-N 3.26Å; E413-Q415 VanDerWaalsContact C-N 3.34Å; E413-Q415 PolarHBondContact O-N 3.28Å; Q415-L418 PolarHBondContact O-N 3.18Å; Q415-N419 WeakPolarHBondContact O-CB 3.49Å; Q415-N419 PolarHBondContact O-N 3.02Å |
| 416 | R | 76.7 | Confident | 60.4 | Low | 151 Ų | 151 | 122.7 Ų | 122.7 | 57% | 0.57 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -65.7 | -43.7 | 173.8 | -78.4 | -178.2 | -174.7 | 86.9 | -1.4 | 111.9 | E412 E413 N419 Q420 | E412-R416 WeakPolarHBondContact O-CG 3.38Å; E412-R416 PolarHBondContact O-N 2.89Å; E412-R416 VanDerWaalsContact O-N 3.11Å; E412-R416 PolarHBondContact O-NH1 2.97Å; E412-R416 IonicContact OE2-CZ 3.7Å; E412-R416 IonicContact OE2-NH1 2.55Å; E412-R416 PolarHBondContact OE2-NH1 2.67Å; E412-R416 IonicContact OE2-NH2 2.74Å; E412-R416 PolarHBondContact OE2-NH2 2.91Å; E413-R416 PolarHBondContact O-N 2.92Å; R416-N419 PolarHBondContact O-N 3.47Å; R416-Q420 WeakPolarHBondContact O-CB 3.49Å; R416-Q420 PolarHBondContact O-N 3.12Å |
| 417 | M | 62.9 | Low | 60.2 | Low | 119 Ų | 119 | 127.2 Ų | 127.2 | 59% | 0.586 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62.2 | -42.4 | 174.3 | -73.8 | -156.1 | -60.9 | 0 | 0 | 112.5 | E413 M414 N419 Q420 L421 | E413-M417 PolarHBondContact O-N 2.96Å; M414-M417 PolarHBondContact O-N 3.48Å; M417-N419 VanDerWaalsContact C-N 3.32Å; M417-N419 PolarHBondContact O-N 3.07Å; M417-Q420 PolarHBondContact O-N 2.95Å; M417-L421 PolarHBondContact O-N 2.99Å |
| 418 | L | 69.3 | Low | 60.5 | Low | 89 Ų | 89 | 130.7 Ų | 130.7 | 47% | 0.466 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.3 | -33.5 | 177.4 | -80.6 | 165.3 | 0 | 0 | 0 | 113 | M414 Q415 R422 | M414-L418 HydrophobicContact CG-CD1 4.43Å; M414-L418 WeakPolarHBondContact O-CB 3.47Å; M414-L418 WeakPolarHBondContact O-CG 3.36Å; M414-L418 PolarHBondContact O-N 3.36Å; Q415-L418 PolarHBondContact O-N 3.18Å; L418-R422 WeakPolarHBondContact O-CB 3.27Å; L418-R422 PolarHBondContact O-N 2.96Å |
| 419 | N | 69.2 | Low | 60.2 | Low | 91 Ų | 91 | 132.5 Ų | 132.5 | 49% | 0.487 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -72.9 | -38.4 | 171.7 | -74 | -12.5 | 0 | 0 | 0 | 111.8 | Q415 R416 M417 L421 R422 E423 | Q415-N419 WeakPolarHBondContact O-CB 3.49Å; Q415-N419 PolarHBondContact O-N 3.02Å; R416-N419 PolarHBondContact O-N 3.47Å; M417-N419 VanDerWaalsContact C-N 3.32Å; M417-N419 PolarHBondContact O-N 3.07Å; N419-L421 VanDerWaalsContact C-N 3.31Å; N419-L421 PolarHBondContact O-N 2.82Å; N419-R422 WeakPolarHBondContact O-CA 3.08Å; N419-R422 WeakPolarHBondContact O-CB 3.46Å; N419-R422 PolarHBondContact O-N 3.25Å; N419-E423 PolarHBondContact O-N 3.47Å; N419-E423 VanDerWaalsContact O-N 3.07Å |
| 420 | Q | 61.3 | Low | 59.6 | Low | 135 Ų | 135 | 134.2 Ų | 134.2 | 63% | 0.631 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -67.1 | -30.1 | 177.1 | -166.9 | 167.8 | 20 | 0 | 0 | 113 | R416 M417 | R416-Q420 WeakPolarHBondContact O-CB 3.49Å; R416-Q420 PolarHBondContact O-N 3.12Å; M417-Q420 PolarHBondContact O-N 2.95Å |
| 421 | L | 54.8 | Low | 58.8 | Low | 143 Ų | 143 | 136.1 Ų | 136.1 | 75% | 0.749 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -74.5 | -24.3 | 169.3 | -113.7 | 71.2 | 0 | 0 | 0 | 113.4 | M417 N419 | M417-L421 PolarHBondContact O-N 2.99Å; N419-L421 VanDerWaalsContact C-N 3.31Å; N419-L421 PolarHBondContact O-N 2.82Å |
| 422 | R | 53.8 | Low | 57.7 | Low | 197 Ų | 197 | 136.9 Ų | 136.9 | 74% | 0.743 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -80.7 | -24.8 | 178.4 | -175.5 | -178 | -61.9 | -80.7 | -3.3 | 112.8 | L418 N419 | L418-R422 WeakPolarHBondContact O-CB 3.27Å; L418-R422 PolarHBondContact O-N 2.96Å; N419-R422 WeakPolarHBondContact O-CA 3.08Å; N419-R422 WeakPolarHBondContact O-CB 3.46Å; N419-R422 PolarHBondContact O-N 3.25Å |
| 423 | E | 48.8 | Very low | 56.3 | Low | 171 Ų | 171 | 136.6 Ų | 136.6 | 80% | 0.799 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -99.2 | 10.6 | -176 | -157 | 150.1 | -152.9 | 0 | 0 | 113.1 | N419 D425 | N419-E423 PolarHBondContact O-N 3.47Å; N419-E423 VanDerWaalsContact O-N 3.07Å; E423-D425 VanDerWaalsContact C-N 3.34Å; E423-D425 PolarHBondContact O-N 3.15Å |
| 424 | Y | 45.9 | Very low | 55.3 | Low | 179 Ų | 179 | 136.6 Ų | 136.6 | 70% | 0.702 | 68% | 0.678 | S | S | * | * | trans | -84.3 | 77.8 | 159.4 | -101.3 | -90.3 | 0 | 0 | 0 | 109.6 | F426 | Y424-F426 PolarHBondContact O-N 3.44Š| ||
| 425 | D | 42.8 | Very low | 54.2 | Low | 151 Ų | 151 | 141.8 Ų | 141.8 | 81% | 0.807 | 69% | 0.693 | S | S | * | * | trans | -63.1 | 122.2 | 159.3 | -95.3 | -32 | 0 | 0 | 0 | 108.1 | E423 E427 | E423-D425 VanDerWaalsContact C-N 3.34Å; E423-D425 PolarHBondContact O-N 3.15Å; D425-E427 PolarHBondContact O-N 2.94Å | ||
| 426 | F | 40.5 | Very low | 52.9 | Low | 193 Ų | 193 | 146 Ų | 146 | 85% | 0.846 | 71% | 0.713 | S | S | * | * | trans | -72.8 | 112.4 | 166.6 | -76.6 | -97.5 | 0 | 0 | 0 | 107.5 | Y424 D428 | Y424-F426 PolarHBondContact O-N 3.44Å; F426-D428 PolarHBondContact O-N 2.91Å; F426-D428 VanDerWaalsContact O-N 3.13Å | ||
| 427 | E | 47.9 | Very low | 51.3 | Low | 187 Ų | 187 | 145.5 Ų | 145.5 | 87% | 0.874 | 72% | 0.717 | S | S | * | * | trans | -61.3 | 116.5 | 167.2 | -72.3 | -173.6 | 143.7 | 0 | 0 | 108.7 | D425 D429 | D425-E427 PolarHBondContact O-N 2.94Å; E427-D429 PolarHBondContact O-N 3.42Å; E427-D429 VanDerWaalsContact O-N 3.15Å | ||
| 428 | D | 55.9 | Low | 50.9 | Low | 131 Ų | 131 | 143.7 Ų | 143.7 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | trans | -75.2 | 95.8 | -174.1 | -178 | 20.2 | 0 | 0 | 0 | 111.3 | F426 C430 | F426-D428 PolarHBondContact O-N 2.91Å; F426-D428 VanDerWaalsContact O-N 3.13Å; D428-C430 PolarHBondContact OD1-N 3.21Å | ||
| 429 | D | 50.6 | Low | 49.8 | Very low | 136 Ų | 136 | 147.2 Ų | 147.2 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | trans | -114.2 | 29 | 170.7 | -96.2 | -20.9 | 0 | 0 | 0 | 111.1 | E427 D431 | E427-D429 PolarHBondContact O-N 3.42Å; E427-D429 VanDerWaalsContact O-N 3.15Å; D429-D431 PolarHBondContact O-N 3.17Å | ||
| 430 | C | 47.6 | Very low | 48.9 | Very low | 107 Ų | 107 | 151 Ų | 151 | 72% | 0.723 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -66.7 | -14.3 | -179.6 | -78.1 | 0 | 0 | 0 | 0 | 114.4 | D428 S432 | D428-C430 PolarHBondContact OD1-N 3.21Å; C430-S432 PolarHBondContact O-N 2.89Å |
| 431 | D | 48.8 | Very low | 48.5 | Very low | 156 Ų | 156 | 148.4 Ų | 148.4 | 83% | 0.834 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -83.5 | -1.6 | -176.8 | -82.9 | -5.2 | 0 | 0 | 0 | 115.1 | D429 | D429-D431 PolarHBondContact O-N 3.17Š|
| 432 | S | 48.2 | Very low | 48.3 | Very low | 103 Ų | 103 | 145.1 Ų | 145.1 | 72% | 0.72 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -87.8 | 0.6 | 178.9 | -79.2 | 0 | 0 | 0 | 0 | 115.5 | C430 | C430-S432 PolarHBondContact O-N 2.89Š|
| 433 | L | 45.2 | Very low | 48.1 | Very low | 106 Ų | 106 | 141 Ų | 141 | 56% | 0.555 | 71% | 0.71 | S | S | * | * | trans | -111.3 | 81.7 | 162.2 | -80.2 | 88.3 | 0 | 0 | 0 | 110.3 | W435 | L433-W435 HydrophobicContact CB-CG 4.41Å; L433-W435 HydrophobicContact CD2-CD2 4.07Å; L433-W435 HydrophobicContact CD2-CE3 4.44Å; L433-W435 HydrophobicContact CD2-CH2 4Å; L433-W435 HydrophobicContact CD2-CZ2 3.56Å; L433-W435 HydrophobicContact CD2-CZ3 4.41Å; L433-W435 PolarHBondContact O-N 3.43Å | ||
| 434 | T | 48.9 | Very low | 48 | Very low | 129 Ų | 129 | 137.9 Ų | 137.9 | 79% | 0.791 | 70% | 0.698 | S | S | * | * | trans | -60.9 | 94.7 | 141.8 | 42.5 | 0 | 0 | 0 | 0 | 107.5 | E436 | T434-E436 PolarHBondContact O-N 3.3Å; T434-E436 VanDerWaalsContact O-N 3.07Å | ||
| 435 | W | 46.6 | Very low | 47.9 | Very low | 205 Ų | 205 | 138.9 Ų | 138.9 | 78% | 0.777 | 70% | 0.7 | S | S | * | * | trans | -63.7 | 103.6 | 171.9 | -68 | 88.3 | 0 | 0 | 0 | 108.4 | L433 E437 | L433-W435 HydrophobicContact CB-CG 4.41Å; L433-W435 HydrophobicContact CD2-CD2 4.07Å; L433-W435 HydrophobicContact CD2-CE3 4.44Å; L433-W435 HydrophobicContact CD2-CH2 4Å; L433-W435 HydrophobicContact CD2-CZ2 3.56Å; L433-W435 HydrophobicContact CD2-CZ3 4.41Å; L433-W435 PolarHBondContact O-N 3.43Å; W435-E437 PolarHBondContact O-N 2.9Å | ||
| 436 | E | 44.9 | Very low | 48.4 | Very low | 188 Ų | 188 | 138.1 Ų | 138.1 | 88% | 0.879 | 69% | 0.692 | S | S | * | * | trans | -70.5 | 91.5 | 158.7 | -79.5 | -172.2 | 144.2 | 0 | 0 | 107.2 | T434 T438 | T434-E436 PolarHBondContact O-N 3.3Å; T434-E436 VanDerWaalsContact O-N 3.07Å; E436-T438 PolarHBondContact O-N 2.88Å; E436-T438 VanDerWaalsContact O-N 3.09Å | ||
| 437 | E | 43.8 | Very low | 48.9 | Very low | 139 Ų | 139 | 134.6 Ų | 134.6 | 65% | 0.65 | 68% | 0.682 | S | S | * | * | trans | -58 | 107.8 | 167.4 | -68.1 | 176.1 | 146.2 | 0 | 0 | 108.9 | W435 L442 | W435-E437 PolarHBondContact O-N 2.9Å; E437-L442 HydrophobicContact CB-CD1 4.02Å; E437-L442 HydrophobicContact CB-CG 4.39Å; E437-L442 HydrophobicContact CG-CD1 4.36Å | ||
| 438 | T | 53.1 | Low | 48.7 | Very low | 81 Ų | 81 | 132.8 Ų | 132.8 | 50% | 0.497 | 67% | 0.672 | S | S | . | * | trans | -77.7 | 130.5 | 161.8 | 40.8 | 0 | 0 | 0 | 0 | 108.5 | E436 E440 T441 | E436-T438 PolarHBondContact O-N 2.88Å; E436-T438 VanDerWaalsContact O-N 3.09Å; T438-E440 PolarHBondContact O-N 3.46Å; T438-T441 WeakPolarHBondContact O-CB 3.23Å; T438-T441 PolarHBondContact O-N 3.34Å; T438-T441 PolarHBondContact OG1-OG1 3.07Å | ||
| 439 | E | 48.1 | Very low | 48.4 | Very low | 164 Ų | 164 | 130 Ų | 130 | 77% | 0.766 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -55 | -28.3 | -176.4 | -62.7 | 176.3 | 156.4 | 0 | 0 | 112.8 | T441 L443 | E439-T441 VanDerWaalsContact C-N 3.3Å; E439-T441 PolarHBondContact O-N 3.04Å; E439-L443 PolarHBondContact O-N 3.3Å |
| 440 | E | 49.2 | Very low | 48.5 | Very low | 169 Ų | 169 | 125.6 Ų | 125.6 | 79% | 0.79 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -63 | -27.4 | 172.5 | -66.2 | -175.6 | 137.8 | 0 | 0 | 114.3 | T438 | T438-E440 PolarHBondContact O-N 3.46Å |
| 441 | T | 52.8 | Low | 48.7 | Very low | 81 Ų | 81 | 128.6 Ų | 128.6 | 50% | 0.497 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -83.9 | -35.1 | -178.9 | -48.5 | 0 | 0 | 0 | 0 | 111.7 | T438 E439 | T438-T441 WeakPolarHBondContact O-CB 3.23Å; T438-T441 PolarHBondContact O-N 3.34Å; T438-T441 PolarHBondContact OG1-OG1 3.07Å; E439-T441 VanDerWaalsContact C-N 3.3Å; E439-T441 PolarHBondContact O-N 3.04Å |
| 442 | L | 50.1 | Low | 48.7 | Very low | 74 Ų | 74 | 124.5 Ų | 124.5 | 39% | 0.387 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -69.5 | -42.6 | 178.3 | -74.3 | 173.7 | 0 | 0 | 0 | 111.8 | E437 L444 W445 E446 | E437-L442 HydrophobicContact CB-CD1 4.02Å; E437-L442 HydrophobicContact CB-CG 4.39Å; E437-L442 HydrophobicContact CG-CD1 4.36Å; L442-L444 PolarHBondContact O-N 3.27Å; L442-L444 VanDerWaalsContact O-N 3.12Å; L442-W445 PolarHBondContact O-N 2.74Å; L442-E446 PolarHBondContact O-N 3.02Å |
| 443 | L | 49.5 | Very low | 48.5 | Very low | 112 Ų | 112 | 126.6 Ų | 126.6 | 59% | 0.586 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -55.9 | -30.3 | 177.5 | -81.6 | 164.5 | 0 | 0 | 0 | 113.3 | E439 | E439-L443 PolarHBondContact O-N 3.3Å |
| 444 | L | 48.6 | Very low | 48.7 | Very low | 104 Ų | 104 | 125 Ų | 125 | 55% | 0.545 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -76 | -26.6 | 179.4 | -170.2 | 63.3 | 0 | 0 | 0 | 113.2 | L442 F448 | L442-L444 PolarHBondContact O-N 3.27Å; L442-L444 VanDerWaalsContact O-N 3.12Å; L444-F448 HydrophobicContact CD1-CE2 4.1Å; L444-F448 HydrophobicContact CG-CE2 4.22Å; L444-F448 WeakPolarHBondContact O-CD2 3.46Å; L444-F448 VanDerWaalsContact O-CE2 3.27Å; L444-F448 WeakPolarHBondContact O-CE2 3.49Å |
| 445 | W | 43.7 | Very low | 48.5 | Very low | 200 Ų | 200 | 120.9 Ų | 120.9 | 76% | 0.758 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -96 | -27.5 | -174.2 | -84.5 | 65.7 | 0 | 0 | 0 | 114.1 | L442 D447 | L442-W445 PolarHBondContact O-N 2.74Å; W445-D447 VanDerWaalsContact C-N 3.34Å; W445-D447 PolarHBondContact O-N 3.01Å |
| 446 | E | 51.9 | Low | 48.5 | Very low | 136 Ų | 136 | 114.9 Ų | 114.9 | 64% | 0.636 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -62.2 | -42.8 | 175.2 | -68.4 | -169.4 | 140.4 | 0 | 0 | 111.2 | L442 F448 S449 G450 | L442-E446 PolarHBondContact O-N 3.02Å; E446-F448 PolarHBondContact O-N 2.96Å; E446-S449 PolarHBondContact O-N 3.06Å; E446-S449 PolarHBondContact O-OG 3.01Å; E446-G450 PolarHBondContact O-N 2.95Å |
| 447 | D | 51.6 | Low | 48.6 | Very low | 118 Ų | 118 | 114.9 Ų | 114.9 | 63% | 0.631 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -58.7 | -38.4 | -179.1 | -78.8 | -11.7 | 0 | 0 | 0 | 113.9 | W445 | W445-D447 VanDerWaalsContact C-N 3.34Å; W445-D447 PolarHBondContact O-N 3.01Å |
| 448 | F | 42.7 | Very low | 48.7 | Very low | 149 Ų | 149 | 110.6 Ų | 110.6 | 65% | 0.654 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -74.2 | -31.2 | 178.8 | -69.2 | -68.6 | 0 | 0 | 0 | 113.1 | L444 E446 | L444-F448 HydrophobicContact CD1-CE2 4.1Å; L444-F448 HydrophobicContact CG-CE2 4.22Å; L444-F448 WeakPolarHBondContact O-CD2 3.46Å; L444-F448 VanDerWaalsContact O-CE2 3.27Å; L444-F448 WeakPolarHBondContact O-CE2 3.49Å; E446-F448 PolarHBondContact O-N 2.96Å |
| 449 | S | 51 | Low | 48.1 | Very low | 72 Ų | 72 | 115.5 Ų | 115.5 | 50% | 0.503 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -72.8 | -35.9 | -175.1 | 73 | 0 | 0 | 0 | 0 | 113.1 | E446 Y451 A452 M453 | E446-S449 PolarHBondContact O-N 3.06Å; E446-S449 PolarHBondContact O-OG 3.01Å; S449-Y451 PolarHBondContact O-N 3.24Å; S449-A452 PolarHBondContact O-N 3.43Å; S449-M453 PolarHBondContact O-N 3.39Å |
| 450 | G | 52.7 | Low | 48 | Very low | 45 Ų | 45 | 110.2 Ų | 110.2 | 46% | 0.464 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.9 | -37.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | E446 A454 | E446-G450 PolarHBondContact O-N 2.95Å; G450-A454 PolarHBondContact O-N 3.08Å |
| 451 | Y | 51.7 | Low | 47.9 | Very low | 170 Ų | 170 | 110.3 Ų | 110.3 | 67% | 0.667 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -70.3 | -37.2 | 179 | -88.8 | -87.8 | 0 | 0 | 0 | 113.1 | S449 M453 A455 | S449-Y451 PolarHBondContact O-N 3.24Å; Y451-M453 PolarHBondContact O-N 2.97Å; Y451-A455 VanDerWaalsContact O-CB 3.31Å; Y451-A455 WeakPolarHBondContact O-CB 3.41Å; Y451-A455 PolarHBondContact O-N 2.99Å; Y451-A455 VanDerWaalsContact O-N 3.12Å |
| 452 | A | 47.7 | Very low | 47.7 | Very low | 70 Ų | 70 | 113.5 Ų | 113.5 | 58% | 0.579 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.9 | -37.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S449 | S449-A452 PolarHBondContact O-N 3.43Å |
| 453 | M | 45.1 | Very low | 47.7 | Very low | 146 Ų | 146 | 114 Ų | 114 | 72% | 0.719 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -75.4 | -38 | 178.2 | -73.9 | -61.2 | -58 | 0 | 0 | 113 | S449 Y451 A455 A456 | S449-M453 PolarHBondContact O-N 3.39Å; Y451-M453 PolarHBondContact O-N 2.97Å; M453-A455 VanDerWaalsContact C-N 3.3Å; M453-A455 PolarHBondContact O-N 3.38Å; M453-A456 PolarHBondContact O-N 3.35Å |
| 454 | A | 49 | Very low | 47.8 | Very low | 72 Ų | 72 | 115.7 Ų | 115.7 | 60% | 0.595 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -68 | -29.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | G450 A456 | G450-A454 PolarHBondContact O-N 3.08Å; A454-A456 VanDerWaalsContact C-N 3.25Å; A454-A456 PolarHBondContact O-N 2.99Å |
| 455 | A | 45.1 | Very low | 48.4 | Very low | 43 Ų | 43 | 116.5 Ų | 116.5 | 36% | 0.355 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.1 | -10.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y451 M453 Q463 | Y451-A455 VanDerWaalsContact O-CB 3.31Å; Y451-A455 WeakPolarHBondContact O-CB 3.41Å; Y451-A455 PolarHBondContact O-N 2.99Å; Y451-A455 VanDerWaalsContact O-N 3.12Å; M453-A455 VanDerWaalsContact C-N 3.3Å; M453-A455 PolarHBondContact O-N 3.38Å; A455-Q463 PolarHBondContact O-NE2 2.9Å |
| 456 | A | 46.9 | Very low | 49.6 | Very low | 80 Ų | 80 | 110 Ų | 110 | 66% | 0.661 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -15.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | M453 A454 | M453-A456 PolarHBondContact O-N 3.35Å; A454-A456 VanDerWaalsContact C-N 3.25Å; A454-A456 PolarHBondContact O-N 2.99Å |
| 457 | E | 47.3 | Very low | 50.6 | Low | 188 Ų | 188 | 108.4 Ų | 108.4 | 88% | 0.879 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -112.6 | -3.6 | -170.7 | -64.1 | -164.5 | 147.9 | 0 | 0 | 115.4 | ||
| 458 | A | 45.3 | Very low | 52 | Low | 48 Ų | 48 | 107.3 Ų | 107.3 | 40% | 0.397 | 60% | 0.597 | S | S | . | * | S | Bend | trans | -109.3 | 132.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113.1 | G460 | A458-G460 PolarHBondContact O-N 3.1Š|
| 459 | Q | 39.8 | Very low | 54.2 | Low | 184 Ų | 184 | 106.1 Ų | 106.1 | 86% | 0.86 | 59% | 0.591 | S | S | * | * | trans | -70.6 | 116.2 | -169.8 | -60.1 | 176.3 | -84.3 | 0 | 0 | 114 | E461 | Q459-E461 VanDerWaalsContact C-N 3.32Å; Q459-E461 PolarHBondContact O-N 3.34Å | ||
| 460 | G | 46.7 | Very low | 55.8 | Low | 54 Ų | 54 | 105.6 Ų | 105.6 | 56% | 0.557 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65.7 | -61.4 | 134.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | A458 | A458-G460 PolarHBondContact O-N 3.1Š|
| 461 | E | 47 | Very low | 57.4 | Low | 171 Ų | 171 | 107.2 Ų | 107.2 | 80% | 0.799 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | -35.6 | -170.8 | -64.6 | -178.6 | 161 | 0 | 0 | 112.1 | Q459 Q463 | Q459-E461 VanDerWaalsContact C-N 3.32Å; Q459-E461 PolarHBondContact O-N 3.34Å; E461-Q463 PolarHBondContact O-N 3.38Å |
| 462 | Q | 48.5 | Very low | 59.4 | Low | 147 Ų | 147 | 104.6 Ų | 104.6 | 69% | 0.687 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70.9 | -17.1 | 173.9 | -69.8 | -174.2 | -26.4 | 0 | 0 | 113 | S466 | Q462-S466 VanDerWaalsContact O-CB 3.3Å; Q462-S466 WeakPolarHBondContact O-CB 3.49Å; Q462-S466 PolarHBondContact O-N 3.02Å; Q462-S466 VanDerWaalsContact O-N 3.09Å |
| 463 | Q | 50.5 | Low | 61.3 | Low | 85 Ų | 85 | 104.9 Ų | 104.9 | 40% | 0.397 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -78.6 | -32.5 | -177.5 | -167.5 | 161.5 | 22.2 | 0 | 0 | 112.3 | A455 E461 L467 | A455-Q463 PolarHBondContact O-NE2 2.9Å; E461-Q463 PolarHBondContact O-N 3.38Å; Q463-L467 WeakPolarHBondContact O-CB 3.44Å; Q463-L467 PolarHBondContact O-N 3.49Å |
| 464 | E | 51.6 | Low | 63.2 | Low | 148 Ų | 148 | 101.1 Ų | 101.1 | 69% | 0.692 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -68.1 | -49.8 | 171.8 | -74.8 | -170.3 | 141.5 | 0 | 0 | 111 | S466 L467 E468 | E464-S466 VanDerWaalsContact C-N 3.28Å; E464-S466 PolarHBondContact O-N 3.46Å; E464-L467 PolarHBondContact O-N 3.04Å; E464-L467 VanDerWaalsContact O-N 3.15Å; E464-E468 WeakPolarHBondContact O-CB 3.32Å; E464-E468 PolarHBondContact O-N 3.19Å |
| 465 | D | 61.5 | Low | 64.9 | Low | 120 Ų | 120 | 102 Ų | 102 | 64% | 0.642 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -55.6 | -41.9 | 175.2 | -83.2 | -15.2 | 0 | 0 | 0 | 112.1 | K469 | D465-K469 WeakPolarHBondContact O-CB 3.5Å; D465-K469 PolarHBondContact O-N 3.44Å |
| 466 | S | 67.6 | Low | 67 | Low | 63 Ų | 63 | 102.8 Ų | 102.8 | 44% | 0.441 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -71.2 | -37.6 | 178.4 | -171.2 | 0 | 0 | 0 | 0 | 112.7 | Q462 E464 V470 | Q462-S466 VanDerWaalsContact O-CB 3.3Å; Q462-S466 WeakPolarHBondContact O-CB 3.49Å; Q462-S466 PolarHBondContact O-N 3.02Å; Q462-S466 VanDerWaalsContact O-N 3.09Å; E464-S466 VanDerWaalsContact C-N 3.28Å; E464-S466 PolarHBondContact O-N 3.46Å; S466-V470 WeakPolarHBondContact O-CG2 3.48Å; S466-V470 PolarHBondContact O-N 2.89Å; S466-V470 VanDerWaalsContact O-N 3.08Å |
| 467 | L | 73.1 | Confident | 69.1 | Low | 103 Ų | 103 | 104.2 Ų | 104.2 | 54% | 0.539 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -71.3 | -43.5 | 177.8 | -179.2 | 61.7 | 0 | 0 | 0 | 111 | Q463 E464 K469 V470 I471 | Q463-L467 WeakPolarHBondContact O-CB 3.44Å; Q463-L467 PolarHBondContact O-N 3.49Å; E464-L467 PolarHBondContact O-N 3.04Å; E464-L467 VanDerWaalsContact O-N 3.15Å; L467-K469 VanDerWaalsContact C-N 3.26Å; L467-K469 PolarHBondContact O-N 2.9Å; L467-V470 PolarHBondContact O-N 3.39Å; L467-V470 VanDerWaalsContact O-N 3.13Å; L467-I471 HydrophobicContact CD1-CD1 4.39Å; L467-I471 HydrophobicContact CG-CD1 4.03Å; L467-I471 VanDerWaalsContact O-CG1 3.32Å; L467-I471 WeakPolarHBondContact O-CG1 3.36Å; L467-I471 PolarHBondContact O-N 3.05Å |
| 468 | E | 82.1 | Confident | 71.1 | Confident | 96 Ų | 96 | 102.2 Ų | 102.2 | 45% | 0.449 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.6 | -37.2 | 175.6 | -164.5 | -173.6 | 157.9 | 0 | 0 | 111 | E464 I471 K472 | E464-E468 WeakPolarHBondContact O-CB 3.32Å; E464-E468 PolarHBondContact O-N 3.19Å; E468-I471 PolarHBondContact O-N 2.85Å; E468-K472 HydrophobicContact CG-CD 4.35Å; E468-K472 WeakPolarHBondContact O-CB 3.28Å; E468-K472 WeakPolarHBondContact O-CG 3.35Å; E468-K472 PolarHBondContact O-N 2.92Å; E468-K472 VanDerWaalsContact OE1-CE 3.29Å; E468-K472 WeakPolarHBondContact OE1-CE 3.49Å; E468-K472 IonicContact OE1-NZ 2.62Å; E468-K472 PolarHBondContact OE1-NZ 3.13Å |
| 469 | K | 87.6 | Confident | 73.2 | Confident | 123 Ų | 123 | 105.6 Ų | 105.6 | 54% | 0.535 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.3 | -46.2 | 171.5 | -174.6 | -178.8 | 179.2 | -64.5 | 0 | 112.2 | D465 L467 I471 K472 D473 | D465-K469 WeakPolarHBondContact O-CB 3.5Å; D465-K469 PolarHBondContact O-N 3.44Å; L467-K469 VanDerWaalsContact C-N 3.26Å; L467-K469 PolarHBondContact O-N 2.9Å; K469-I471 VanDerWaalsContact C-N 3.33Å; K469-I471 PolarHBondContact O-N 3.35Å; K469-K472 PolarHBondContact O-N 3.45Å; K469-D473 IonicContact NZ-OD2 3.32Å; K469-D473 PolarHBondContact NZ-OD2 2.86Å; K469-D473 WeakPolarHBondContact O-CB 3.45Å; K469-D473 PolarHBondContact O-N 2.91Å |
| 470 | V | 84.8 | Confident | 75.8 | Confident | 61 Ų | 61 | 100.5 Ų | 100.5 | 37% | 0.37 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.8 | -37.6 | 177.4 | 170.1 | 0 | 0 | 0 | 0 | 111.7 | S466 L467 D473 T474 | S466-V470 WeakPolarHBondContact O-CG2 3.48Å; S466-V470 PolarHBondContact O-N 2.89Å; S466-V470 VanDerWaalsContact O-N 3.08Å; L467-V470 PolarHBondContact O-N 3.39Å; L467-V470 VanDerWaalsContact O-N 3.13Å; V470-D473 PolarHBondContact O-N 3.14Å; V470-T474 HydrophobicContact CG1-CG2 4.48Å; V470-T474 WeakPolarHBondContact O-CB 3.43Å; V470-T474 WeakPolarHBondContact O-CG2 3.44Å; V470-T474 PolarHBondContact O-N 2.97Å; V470-T474 PolarHBondContact O-OG1 3.21Å |
| 471 | I | 87.1 | Confident | 78 | Confident | 79 Ų | 79 | 103.8 Ų | 103.8 | 41% | 0.405 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.5 | -48.2 | 173.2 | -68.2 | 165.1 | 0 | 0 | 0 | 110.2 | L467 E468 K469 D473 T474 E475 | L467-I471 HydrophobicContact CD1-CD1 4.39Å; L467-I471 HydrophobicContact CG-CD1 4.03Å; L467-I471 VanDerWaalsContact O-CG1 3.32Å; L467-I471 WeakPolarHBondContact O-CG1 3.36Å; L467-I471 PolarHBondContact O-N 3.05Å; E468-I471 PolarHBondContact O-N 2.85Å; K469-I471 VanDerWaalsContact C-N 3.33Å; K469-I471 PolarHBondContact O-N 3.35Å; I471-D473 PolarHBondContact O-N 3.44Å; I471-T474 WeakPolarHBondContact CA-OG1 3.5Å; I471-T474 PolarHBondContact O-N 3.34Å; I471-T474 PolarHBondContact O-OG1 2.96Å; I471-E475 HydrophobicContact CG2-CG 4.47Å; I471-E475 WeakPolarHBondContact O-CB 3.35Å; I471-E475 WeakPolarHBondContact O-CG 3.5Å; I471-E475 PolarHBondContact O-N 3.05Å |
| 472 | K | 92.5 | Very high | 80.1 | Confident | 115 Ų | 115 | 102.1 Ų | 102.1 | 50% | 0.5 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 176.6 | -76.7 | 165.8 | 172.9 | 165.1 | 0 | 113.1 | E468 K469 S476 | E468-K472 HydrophobicContact CG-CD 4.35Å; E468-K472 WeakPolarHBondContact O-CB 3.28Å; E468-K472 WeakPolarHBondContact O-CG 3.35Å; E468-K472 PolarHBondContact O-N 2.92Å; E468-K472 VanDerWaalsContact OE1-CE 3.29Å; E468-K472 WeakPolarHBondContact OE1-CE 3.49Å; E468-K472 IonicContact OE1-NZ 2.62Å; E468-K472 PolarHBondContact OE1-NZ 3.13Å; K469-K472 PolarHBondContact O-N 3.45Å; K472-S476 WeakPolarHBondContact O-CB 3.29Å; K472-S476 PolarHBondContact O-N 2.67Å |
| 473 | D | 87.7 | Confident | 82.4 | Confident | 77 Ų | 77 | 101.1 Ų | 101.1 | 41% | 0.412 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 178.7 | -70.3 | -17.8 | 0 | 0 | 0 | 110 | K469 V470 I471 S476 L477 | K469-D473 IonicContact NZ-OD2 3.32Å; K469-D473 PolarHBondContact NZ-OD2 2.86Å; K469-D473 WeakPolarHBondContact O-CB 3.45Å; K469-D473 PolarHBondContact O-N 2.91Å; V470-D473 PolarHBondContact O-N 3.14Å; I471-D473 PolarHBondContact O-N 3.44Å; D473-S476 PolarHBondContact O-N 3.45Å; D473-S476 PolarHBondContact O-OG 3.36Å; D473-L477 PolarHBondContact O-N 2.91Å; D473-L477 VanDerWaalsContact O-N 3.07Å |
| 474 | T | 84.6 | Confident | 84.5 | Confident | 67 Ų | 67 | 101.8 Ų | 101.8 | 41% | 0.411 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.4 | -43.3 | 176.5 | 51.2 | 0 | 0 | 0 | 0 | 113.2 | V470 I471 S476 L477 F478 | V470-T474 HydrophobicContact CG1-CG2 4.48Å; V470-T474 WeakPolarHBondContact O-CB 3.43Å; V470-T474 WeakPolarHBondContact O-CG2 3.44Å; V470-T474 PolarHBondContact O-N 2.97Å; V470-T474 PolarHBondContact O-OG1 3.21Å; I471-T474 WeakPolarHBondContact CA-OG1 3.5Å; I471-T474 PolarHBondContact O-N 3.34Å; I471-T474 PolarHBondContact O-OG1 2.96Å; T474-S476 VanDerWaalsContact C-N 3.27Å; T474-S476 PolarHBondContact O-N 2.94Å; T474-L477 PolarHBondContact O-N 2.92Å; T474-F478 WeakPolarHBondContact O-CD2 3.49Å; T474-F478 PolarHBondContact O-N 3.5Å |
| 475 | E | 85.9 | Confident | 86.6 | Confident | 90 Ų | 90 | 101 Ų | 101 | 42% | 0.421 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -56.7 | -41.1 | 171 | -81.6 | -171.7 | -154.4 | 0 | 0 | 112.3 | I471 L477 F478 K479 | I471-E475 HydrophobicContact CG2-CG 4.47Å; I471-E475 WeakPolarHBondContact O-CB 3.35Å; I471-E475 WeakPolarHBondContact O-CG 3.5Å; I471-E475 PolarHBondContact O-N 3.05Å; E475-L477 VanDerWaalsContact C-N 3.32Å; E475-F478 PolarHBondContact O-N 2.94Å; E475-K479 WeakPolarHBondContact O-CB 3.32Å; E475-K479 WeakPolarHBondContact O-CD 3.07Å; E475-K479 WeakPolarHBondContact O-CG 3.49Å; E475-K479 PolarHBondContact O-N 3.16Å; E475-K479 IonicContact OE2-NZ 2.7Å; E475-K479 PolarHBondContact OE2-NZ 3.15Å |
| 476 | S | 88 | Confident | 88.2 | Confident | 59 Ų | 59 | 99.8 Ų | 99.8 | 41% | 0.413 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.9 | -38.7 | 178.4 | 80.5 | 0 | 0 | 0 | 0 | 111.5 | K472 D473 T474 K479 T480 | K472-S476 WeakPolarHBondContact O-CB 3.29Å; K472-S476 PolarHBondContact O-N 2.67Å; D473-S476 PolarHBondContact O-N 3.45Å; D473-S476 PolarHBondContact O-OG 3.36Å; T474-S476 VanDerWaalsContact C-N 3.27Å; T474-S476 PolarHBondContact O-N 2.94Å; S476-K479 PolarHBondContact O-N 3.44Å; S476-T480 WeakPolarHBondContact O-CB 3.41Å; S476-T480 PolarHBondContact O-N 3.21Å; S476-T480 PolarHBondContact O-OG1 3.46Å; S476-T480 VanDerWaalsContact O-OG1 3.06Å |
| 477 | L | 91.6 | Very high | 89.5 | Confident | 110 Ų | 110 | 101.4 Ų | 101.4 | 58% | 0.576 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -67.2 | -41.4 | 177.5 | -166.6 | 152.6 | 0 | 0 | 0 | 111.4 | D473 T474 E475 T480 R481 | D473-L477 PolarHBondContact O-N 2.91Å; D473-L477 VanDerWaalsContact O-N 3.07Å; T474-L477 PolarHBondContact O-N 2.92Å; E475-L477 VanDerWaalsContact C-N 3.32Å; L477-T480 PolarHBondContact O-N 3.37Å; L477-R481 WeakPolarHBondContact O-CB 3.38Å; L477-R481 PolarHBondContact O-N 3.43Å |
| 478 | F | 89.3 | Confident | 90.7 | Very high | 146 Ų | 146 | 100.2 Ų | 100.2 | 64% | 0.64 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.4 | -46.6 | 172.2 | -75.5 | -64.2 | 0 | 0 | 0 | 112.1 | T474 E475 T480 R481 E482 | T474-F478 WeakPolarHBondContact O-CD2 3.49Å; T474-F478 PolarHBondContact O-N 3.5Å; E475-F478 PolarHBondContact O-N 2.94Å; F478-T480 VanDerWaalsContact C-N 3.34Å; F478-T480 PolarHBondContact O-N 2.7Å; F478-R481 PolarHBondContact O-N 2.88Å; F478-E482 WeakPolarHBondContact O-CB 3.13Å; F478-E482 PolarHBondContact O-N 3.42Å |
| 479 | K | 90.3 | Very high | 91.2 | Very high | 119 Ų | 119 | 99.3 Ų | 99.3 | 52% | 0.517 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.9 | -39 | 176.7 | -75 | 162.6 | -179.2 | 153.9 | 0 | 112.5 | E475 S476 K483 | E475-K479 WeakPolarHBondContact O-CB 3.32Å; E475-K479 WeakPolarHBondContact O-CD 3.07Å; E475-K479 WeakPolarHBondContact O-CG 3.49Å; E475-K479 PolarHBondContact O-N 3.16Å; E475-K479 IonicContact OE2-NZ 2.7Å; E475-K479 PolarHBondContact OE2-NZ 3.15Å; S476-K479 PolarHBondContact O-N 3.44Å; K479-K483 WeakPolarHBondContact O-CB 3.4Å; K479-K483 PolarHBondContact O-N 2.94Å; K479-K483 VanDerWaalsContact O-N 3.09Å |
| 480 | T | 93.3 | Very high | 91.6 | Very high | 77 Ų | 77 | 97.3 Ų | 97.3 | 47% | 0.472 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.9 | -45.5 | 174.4 | -64.3 | 0 | 0 | 0 | 0 | 111.2 | S476 L477 F478 K483 E484 | S476-T480 WeakPolarHBondContact O-CB 3.41Å; S476-T480 PolarHBondContact O-N 3.21Å; S476-T480 PolarHBondContact O-OG1 3.46Å; S476-T480 VanDerWaalsContact O-OG1 3.06Å; L477-T480 PolarHBondContact O-N 3.37Å; F478-T480 VanDerWaalsContact C-N 3.34Å; F478-T480 PolarHBondContact O-N 2.7Å; T480-K483 WeakPolarHBondContact O-CB 3.47Å; T480-K483 PolarHBondContact O-N 3.18Å; T480-E484 WeakPolarHBondContact O-CG 2.74Å; T480-E484 PolarHBondContact O-N 3.13Å |
| 481 | R | 92.8 | Very high | 92.2 | Very high | 123 Ų | 123 | 98.9 Ų | 98.9 | 46% | 0.464 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.7 | -36.7 | -179.5 | -161.5 | -175.8 | -174.6 | 93.2 | -2.5 | 113 | L477 F478 K483 E484 Y485 | L477-R481 WeakPolarHBondContact O-CB 3.38Å; L477-R481 PolarHBondContact O-N 3.43Å; F478-R481 PolarHBondContact O-N 2.88Å; R481-K483 VanDerWaalsContact C-N 3.33Å; R481-E484 PolarHBondContact O-N 3.25Å; R481-Y485 HydrophobicContact CG-CD2 4.2Å; R481-Y485 HydrophobicContact CG-CE2 3.67Å; R481-Y485 PolarHBondContact NE-OH 3.46Å; R481-Y485 PolarHBondContact NH2-OH 3.19Å; R481-Y485 WeakPolarHBondContact O-CD2 3.41Å; R481-Y485 PolarHBondContact O-N 3.03Å |
| 482 | E | 92.8 | Very high | 92.7 | Very high | 137 Ų | 137 | 100 Ų | 100 | 64% | 0.64 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -59.3 | -45.2 | 171.1 | -179.1 | 176.5 | -152.6 | 0 | 0 | 110.8 | F478 Y485 Q486 | F478-E482 WeakPolarHBondContact O-CB 3.13Å; F478-E482 PolarHBondContact O-N 3.42Å; E482-Y485 PolarHBondContact O-N 3.39Å; E482-Q486 PolarHBondContact O-N 3.44Å |
| 483 | K | 95.8 | Very high | 92.8 | Very high | 125 Ų | 125 | 100.6 Ų | 100.6 | 54% | 0.543 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 174.6 | -177 | 174.1 | 178 | -77.4 | 0 | 112.7 | K479 T480 R481 Y485 Q486 E487 | K479-K483 WeakPolarHBondContact O-CB 3.4Å; K479-K483 PolarHBondContact O-N 2.94Å; K479-K483 VanDerWaalsContact O-N 3.09Å; T480-K483 WeakPolarHBondContact O-CB 3.47Å; T480-K483 PolarHBondContact O-N 3.18Å; R481-K483 VanDerWaalsContact C-N 3.33Å; K483-Y485 VanDerWaalsContact C-N 3.33Å; K483-Y485 PolarHBondContact O-N 2.89Å; K483-Q486 PolarHBondContact O-N 3.05Å; K483-E487 WeakPolarHBondContact CE-OE1 3.3Å; K483-E487 IonicContact NZ-OE1 2.96Å; K483-E487 PolarHBondContact NZ-OE1 2.85Å; K483-E487 WeakPolarHBondContact O-CB 3.35Å; K483-E487 WeakPolarHBondContact O-CG 3.33Å; K483-E487 PolarHBondContact O-N 3.14Å |
| 484 | E | 95 | Very high | 93.3 | Very high | 99 Ų | 99 | 101.8 Ų | 101.8 | 46% | 0.463 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.3 | -39.4 | 174.8 | -72.2 | 170 | -178.3 | 0 | 0 | 112.2 | T480 R481 T488 | T480-E484 WeakPolarHBondContact O-CG 2.74Å; T480-E484 PolarHBondContact O-N 3.13Å; R481-E484 PolarHBondContact O-N 3.25Å; E484-T488 WeakPolarHBondContact O-CB 3.14Å; E484-T488 PolarHBondContact O-N 3.14Å; E484-T488 PolarHBondContact O-OG1 3.48Å |
| 485 | Y | 95.1 | Very high | 93.9 | Very high | 131 Ų | 131 | 103.9 Ų | 103.9 | 51% | 0.514 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.2 | -41.3 | 174 | -70.9 | -48.1 | 0 | 0 | 0 | 112.1 | R481 E482 K483 T488 I489 | R481-Y485 HydrophobicContact CG-CD2 4.2Å; R481-Y485 HydrophobicContact CG-CE2 3.67Å; R481-Y485 PolarHBondContact NE-OH 3.46Å; R481-Y485 PolarHBondContact NH2-OH 3.19Å; R481-Y485 WeakPolarHBondContact O-CD2 3.41Å; R481-Y485 PolarHBondContact O-N 3.03Å; E482-Y485 PolarHBondContact O-N 3.39Å; K483-Y485 VanDerWaalsContact C-N 3.33Å; K483-Y485 PolarHBondContact O-N 2.89Å; Y485-T488 WeakPolarHBondContact O-CB 3.43Å; Y485-T488 PolarHBondContact O-N 3.37Å; Y485-I489 WeakPolarHBondContact O-CG1 3.49Å; Y485-I489 PolarHBondContact O-N 2.8Å |
| 486 | Q | 94.8 | Very high | 94.4 | Very high | 96 Ų | 96 | 105.4 Ų | 105.4 | 45% | 0.449 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.6 | -45.6 | 175.4 | -170.1 | 60.4 | 55.3 | 0 | 0 | 111.7 | E482 K483 T488 I489 D490 | E482-Q486 PolarHBondContact O-N 3.44Å; K483-Q486 PolarHBondContact O-N 3.05Å; Q486-T488 PolarHBondContact O-N 3.03Å; Q486-I489 WeakPolarHBondContact O-CB 3.48Å; Q486-I489 PolarHBondContact O-N 2.99Å; Q486-D490 PolarHBondContact NE2-OD1 3.44Å; Q486-D490 PolarHBondContact O-N 3.33Å |
| 487 | E | 96.8 | Very high | 94.7 | Very high | 96 Ų | 96 | 105.1 Ų | 105.1 | 45% | 0.449 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.4 | -35.3 | 174.8 | -74.1 | 175.6 | -178.3 | 0 | 0 | 112.2 | K483 Q491 | K483-E487 WeakPolarHBondContact CE-OE1 3.3Å; K483-E487 IonicContact NZ-OE1 2.96Å; K483-E487 PolarHBondContact NZ-OE1 2.85Å; K483-E487 WeakPolarHBondContact O-CB 3.35Å; K483-E487 WeakPolarHBondContact O-CG 3.33Å; K483-E487 PolarHBondContact O-N 3.14Å; E487-Q491 VanDerWaalsContact O-CB 3.32Å; E487-Q491 WeakPolarHBondContact O-CB 3.46Å; E487-Q491 PolarHBondContact O-N 3.49Å |
| 488 | T | 96.4 | Very high | 95 | Very high | 78 Ų | 78 | 104 Ų | 104 | 48% | 0.479 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.5 | -39.7 | 174.3 | -56 | 0 | 0 | 0 | 0 | 112 | E484 Y485 Q486 I492 | E484-T488 WeakPolarHBondContact O-CB 3.14Å; E484-T488 PolarHBondContact O-N 3.14Å; E484-T488 PolarHBondContact O-OG1 3.48Å; Y485-T488 WeakPolarHBondContact O-CB 3.43Å; Y485-T488 PolarHBondContact O-N 3.37Å; Q486-T488 PolarHBondContact O-N 3.03Å; T488-I492 HydrophobicContact CG2-CD1 4.05Å; T488-I492 WeakPolarHBondContact O-CD1 3.5Å; T488-I492 VanDerWaalsContact O-CG1 3.27Å; T488-I492 WeakPolarHBondContact O-CG1 3.38Å; T488-I492 PolarHBondContact O-N 2.96Å; T488-I492 VanDerWaalsContact O-N 3.11Å |
| 489 | I | 93.3 | Very high | 95.3 | Very high | 77 Ų | 77 | 100 Ų | 100 | 40% | 0.395 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.6 | -51.7 | 175.1 | -69.6 | 162.8 | 0 | 0 | 0 | 109.7 | Y485 Q486 Q491 I492 E493 | Y485-I489 WeakPolarHBondContact O-CG1 3.49Å; Y485-I489 PolarHBondContact O-N 2.8Å; Q486-I489 WeakPolarHBondContact O-CB 3.48Å; Q486-I489 PolarHBondContact O-N 2.99Å; I489-Q491 VanDerWaalsContact C-N 3.27Å; I489-Q491 PolarHBondContact O-N 3.47Å; I489-I492 PolarHBondContact O-N 3.11Å; I489-E493 HydrophobicContact CG2-CG 4.36Å; I489-E493 WeakPolarHBondContact O-CG 3.38Å; I489-E493 PolarHBondContact O-N 2.9Å |
| 490 | D | 95.8 | Very high | 95.7 | Very high | 81 Ų | 81 | 100.7 Ų | 100.7 | 43% | 0.433 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -56.8 | -40.7 | -179.9 | -63.5 | -4.3 | 0 | 0 | 0 | 111.6 | Q486 E493 L494 | Q486-D490 PolarHBondContact NE2-OD1 3.44Å; Q486-D490 PolarHBondContact O-N 3.33Å; D490-E493 PolarHBondContact O-N 3.35Å; D490-L494 WeakPolarHBondContact O-CB 3.18Å; D490-L494 PolarHBondContact O-N 3.43Å |
| 491 | Q | 98.1 | Very high | 95.9 | Very high | 94 Ų | 94 | 102.6 Ų | 102.6 | 44% | 0.439 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 175.4 | 179.5 | 59.7 | 35.1 | 0 | 0 | 112.3 | E487 I489 L494 E495 | E487-Q491 VanDerWaalsContact O-CB 3.32Å; E487-Q491 WeakPolarHBondContact O-CB 3.46Å; E487-Q491 PolarHBondContact O-N 3.49Å; I489-Q491 VanDerWaalsContact C-N 3.27Å; I489-Q491 PolarHBondContact O-N 3.47Å; Q491-L494 PolarHBondContact O-N 3.31Å; Q491-E495 PolarHBondContact NE2-OE1 2.93Å; Q491-E495 WeakPolarHBondContact O-CG 3.43Å; Q491-E495 PolarHBondContact O-N 2.89Å |
| 492 | I | 96.9 | Very high | 96.2 | Very high | 102 Ų | 102 | 99.8 Ų | 99.8 | 52% | 0.523 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 177 | -69.3 | 165.8 | 0 | 0 | 0 | 111 | T488 I489 E495 L496 | T488-I492 HydrophobicContact CG2-CD1 4.05Å; T488-I492 WeakPolarHBondContact O-CD1 3.5Å; T488-I492 VanDerWaalsContact O-CG1 3.27Å; T488-I492 WeakPolarHBondContact O-CG1 3.38Å; T488-I492 PolarHBondContact O-N 2.96Å; T488-I492 VanDerWaalsContact O-N 3.11Å; I489-I492 PolarHBondContact O-N 3.11Å; I492-E495 PolarHBondContact O-N 3.1Å; I492-L496 WeakPolarHBondContact O-CB 3.32Å; I492-L496 PolarHBondContact O-N 3.43Å |
| 493 | E | 95 | Very high | 96.4 | Very high | 128 Ų | 128 | 99.8 Ų | 99.8 | 60% | 0.598 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.9 | -41 | 175.5 | -70.8 | -168.4 | 169.2 | 0 | 0 | 111.9 | I489 D490 L496 A497 | I489-E493 HydrophobicContact CG2-CG 4.36Å; I489-E493 WeakPolarHBondContact O-CG 3.38Å; I489-E493 PolarHBondContact O-N 2.9Å; D490-E493 PolarHBondContact O-N 3.35Å; E493-L496 PolarHBondContact O-N 3.23Å; E493-A497 WeakPolarHBondContact O-CB 3.5Å; E493-A497 PolarHBondContact O-N 3.38Å |
| 494 | L | 97.2 | Very high | 96.5 | Very high | 102 Ų | 102 | 97.3 Ų | 97.3 | 53% | 0.534 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.8 | -44 | 175.1 | -179.9 | 62.6 | 0 | 0 | 0 | 112.4 | D490 Q491 A497 T498 | D490-L494 WeakPolarHBondContact O-CB 3.18Å; D490-L494 PolarHBondContact O-N 3.43Å; Q491-L494 PolarHBondContact O-N 3.31Å; L494-A497 PolarHBondContact O-N 3.32Å; L494-T498 WeakPolarHBondContact O-CB 3.38Å; L494-T498 PolarHBondContact O-N 3.26Å; L494-T498 PolarHBondContact O-OG1 2.94Å |
| 495 | E | 97.3 | Very high | 96.6 | Very high | 112 Ų | 112 | 97.6 Ų | 97.6 | 52% | 0.523 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 175.1 | -76.5 | 177.3 | -157.1 | 0 | 0 | 111.6 | Q491 I492 A497 T498 A499 | Q491-E495 PolarHBondContact NE2-OE1 2.93Å; Q491-E495 WeakPolarHBondContact O-CG 3.43Å; Q491-E495 PolarHBondContact O-N 2.89Å; I492-E495 PolarHBondContact O-N 3.1Å; E495-A497 PolarHBondContact O-N 2.89Å; E495-T498 PolarHBondContact O-N 2.92Å; E495-A499 WeakPolarHBondContact O-CB 2.75Å; E495-A499 PolarHBondContact O-N 2.76Å |
| 496 | L | 96.8 | Very high | 96.7 | Very high | 121 Ų | 121 | 95.7 Ų | 95.7 | 63% | 0.634 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.8 | -40.7 | 175.7 | -173.7 | 148.4 | 0 | 0 | 0 | 111.6 | I492 E493 T498 K500 | I492-L496 WeakPolarHBondContact O-CB 3.32Å; I492-L496 PolarHBondContact O-N 3.43Å; E493-L496 PolarHBondContact O-N 3.23Å; L496-T498 VanDerWaalsContact C-N 3.35Å; L496-K500 WeakPolarHBondContact O-CB 3.44Å; L496-K500 PolarHBondContact O-N 2.88Å |
| 497 | A | 95.8 | Very high | 96.9 | Very high | 54 Ų | 54 | 95.5 Ų | 95.5 | 45% | 0.446 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64 | -39.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E493 L494 E495 N501 | E493-A497 WeakPolarHBondContact O-CB 3.5Å; E493-A497 PolarHBondContact O-N 3.38Å; L494-A497 PolarHBondContact O-N 3.32Å; E495-A497 PolarHBondContact O-N 2.89Å; A497-N501 PolarHBondContact O-N 2.98Å |
| 498 | T | 97.3 | Very high | 96.9 | Very high | 86 Ų | 86 | 96.1 Ų | 96.1 | 53% | 0.528 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.7 | -48 | 177.5 | -61.6 | 0 | 0 | 0 | 0 | 111.5 | L494 E495 L496 K500 N501 D502 | L494-T498 WeakPolarHBondContact O-CB 3.38Å; L494-T498 PolarHBondContact O-N 3.26Å; L494-T498 PolarHBondContact O-OG1 2.94Å; E495-T498 PolarHBondContact O-N 2.92Å; L496-T498 VanDerWaalsContact C-N 3.35Å; T498-K500 VanDerWaalsContact C-N 3.29Å; T498-K500 PolarHBondContact O-N 2.98Å; T498-N501 WeakPolarHBondContact O-CB 3.41Å; T498-N501 PolarHBondContact O-N 3.33Å; T498-N501 VanDerWaalsContact O-N 3.08Å; T498-D502 PolarHBondContact O-N 3.3Å |
| 499 | A | 96.2 | Very high | 97 | Very high | 62 Ų | 62 | 96.1 Ų | 96.1 | 51% | 0.512 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.9 | -37.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E495 D502 M503 | E495-A499 WeakPolarHBondContact O-CB 2.75Å; E495-A499 PolarHBondContact O-N 2.76Å; A499-D502 PolarHBondContact O-N 3.44Å; A499-M503 WeakPolarHBondContact O-CB 3.4Å; A499-M503 PolarHBondContact O-N 3.12Å |
| 500 | K | 97.9 | Very high | 97.2 | Very high | 134 Ų | 134 | 100 Ų | 100 | 58% | 0.583 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.7 | -42.6 | 172.3 | -179.3 | -178.9 | 176.8 | -176.2 | 0 | 111.8 | L496 T498 N504 | L496-K500 WeakPolarHBondContact O-CB 3.44Å; L496-K500 PolarHBondContact O-N 2.88Å; T498-K500 VanDerWaalsContact C-N 3.29Å; T498-K500 PolarHBondContact O-N 2.98Å; K500-N504 PolarHBondContact O-N 3.3Å; K500-N504 VanDerWaalsContact O-N 3.16Å; K500-N504 PolarHBondContact O-ND2 3.47Å |
| 501 | N | 97.6 | Very high | 97.3 | Very high | 117 Ų | 117 | 100.7 Ų | 100.7 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.3 | -46.2 | 176.4 | -169.7 | -78.3 | 0 | 0 | 0 | 111 | A497 T498 M503 N504 R505 | A497-N501 PolarHBondContact O-N 2.98Å; T498-N501 WeakPolarHBondContact O-CB 3.41Å; T498-N501 PolarHBondContact O-N 3.33Å; T498-N501 VanDerWaalsContact O-N 3.08Å; N501-M503 PolarHBondContact O-N 3.4Å; N501-N504 WeakPolarHBondContact O-CB 3.48Å; N501-N504 PolarHBondContact O-N 2.83Å; N501-N504 VanDerWaalsContact O-N 3.1Å; N501-R505 PolarHBondContact O-N 3Å |
| 502 | D | 98.1 | Very high | 97.3 | Very high | 64 Ų | 64 | 103 Ų | 103 | 34% | 0.342 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.5 | -40.3 | -178.8 | -162.9 | 54.1 | 0 | 0 | 0 | 112.9 | T498 A499 N504 R505 H506 | T498-D502 PolarHBondContact O-N 3.3Å; A499-D502 PolarHBondContact O-N 3.44Å; D502-N504 VanDerWaalsContact C-N 3.31Å; D502-N504 PolarHBondContact O-N 3.1Å; D502-R505 WeakPolarHBondContact O-CB 3.29Å; D502-R505 PolarHBondContact O-N 3.03Å; D502-R505 IonicContact OD1-CZ 2.72Å; D502-R505 IonicContact OD1-NE 3.53Å; D502-R505 PolarHBondContact OD1-NE 2.9Å; D502-R505 IonicContact OD1-NH2 3.92Å; D502-R505 PolarHBondContact OD1-NH2 2.91Å; D502-R505 IonicContact OD2-NH2 2.69Å; D502-H506 PolarHBondContact O-N 3.21Å; D502-H506 IonicContact OD2-CD2 2.87Å; D502-H506 IonicContact OD2-NE2 2.7Å |
| 503 | M | 97.7 | Very high | 97.3 | Very high | 137 Ų | 137 | 103.9 Ų | 103.9 | 68% | 0.675 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.5 | -34.1 | 173.1 | -174.3 | 166.3 | 68.4 | 0 | 0 | 112.6 | A499 N501 L507 | A499-M503 WeakPolarHBondContact O-CB 3.4Å; A499-M503 PolarHBondContact O-N 3.12Å; N501-M503 PolarHBondContact O-N 3.4Å; M503-L507 WeakPolarHBondContact O-CB 3.4Å; M503-L507 PolarHBondContact O-N 2.88Å |
| 504 | N | 97.3 | Very high | 97.4 | Very high | 73 Ų | 73 | 100.4 Ų | 100.4 | 39% | 0.39 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.5 | -41.6 | 172.3 | -79.5 | -78.3 | 0 | 0 | 0 | 111.5 | K500 N501 D502 H506 L507 H508 | K500-N504 PolarHBondContact O-N 3.3Å; K500-N504 VanDerWaalsContact O-N 3.16Å; K500-N504 PolarHBondContact O-ND2 3.47Å; N501-N504 WeakPolarHBondContact O-CB 3.48Å; N501-N504 PolarHBondContact O-N 2.83Å; N501-N504 VanDerWaalsContact O-N 3.1Å; D502-N504 VanDerWaalsContact C-N 3.31Å; D502-N504 PolarHBondContact O-N 3.1Å; N504-H506 PolarHBondContact O-N 3.19Å; N504-L507 WeakPolarHBondContact O-CB 3.29Å; N504-L507 PolarHBondContact O-N 3.35Å; N504-H508 PolarHBondContact O-CD2 3.38Å; N504-H508 PolarHBondContact O-N 2.98Å |
| 505 | R | 97.9 | Very high | 97.4 | Very high | 104 Ų | 104 | 99.6 Ų | 99.6 | 39% | 0.392 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -55.5 | -50.5 | 173 | 178.9 | -175.5 | 66.4 | 85.1 | -2 | 111.1 | N501 D502 L507 H508 E509 | N501-R505 PolarHBondContact O-N 3Å; D502-R505 WeakPolarHBondContact O-CB 3.29Å; D502-R505 PolarHBondContact O-N 3.03Å; D502-R505 IonicContact OD1-CZ 2.72Å; D502-R505 IonicContact OD1-NE 3.53Å; D502-R505 PolarHBondContact OD1-NE 2.9Å; D502-R505 IonicContact OD1-NH2 3.92Å; D502-R505 PolarHBondContact OD1-NH2 2.91Å; D502-R505 IonicContact OD2-NH2 2.69Å; R505-L507 VanDerWaalsContact C-N 3.31Å; R505-L507 PolarHBondContact O-N 3.46Å; R505-H508 WeakPolarHBondContact O-CB 3.41Å; R505-H508 PolarHBondContact O-N 3Å; R505-H508 VanDerWaalsContact O-N 3.12Å; R505-E509 WeakPolarHBondContact CG-OE1 3.42Å; R505-E509 IonicContact CZ-OE1 3.17Å; R505-E509 IonicContact NH1-OE1 2.92Å; R505-E509 PolarHBondContact NH1-OE1 3Å; R505-E509 IonicContact NH1-OE2 3.74Å; R505-E509 PolarHBondContact NH1-OE2 3.37Å; R505-E509 WeakPolarHBondContact O-CG 3.44Å; R505-E509 PolarHBondContact O-N 3.47Å |
| 506 | H | 97.8 | Very high | 97.4 | Very high | 91 Ų | 91 | 99.9 Ų | 99.9 | 42% | 0.421 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.5 | -33.8 | 177.1 | -78.2 | -41 | 0 | 0 | 0 | 113.7 | D502 N504 E509 Y510 | D502-H506 PolarHBondContact O-N 3.21Å; D502-H506 IonicContact OD2-CD2 2.87Å; D502-H506 IonicContact OD2-NE2 2.7Å; N504-H506 PolarHBondContact O-N 3.19Å; H506-E509 IonicContact CE1-OE2 3.88Å; H506-E509 IonicContact CG-OE2 2.67Å; H506-E509 IonicContact ND1-OE2 3.14Å; H506-E509 PolarHBondContact ND1-OE2 3.11Å; H506-Y510 VanDerWaalsContact O-CB 3.31Å; H506-Y510 WeakPolarHBondContact O-CB 3.35Å; H506-Y510 PolarHBondContact O-N 3.48Å |
| 507 | L | 97.8 | Very high | 97.5 | Very high | 92 Ų | 92 | 100.4 Ų | 100.4 | 48% | 0.482 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.2 | -41.5 | 172.6 | -178.2 | 62.5 | 0 | 0 | 0 | 111.7 | M503 N504 R505 Y510 M511 | M503-L507 WeakPolarHBondContact O-CB 3.4Å; M503-L507 PolarHBondContact O-N 2.88Å; N504-L507 WeakPolarHBondContact O-CB 3.29Å; N504-L507 PolarHBondContact O-N 3.35Å; R505-L507 VanDerWaalsContact C-N 3.31Å; R505-L507 PolarHBondContact O-N 3.46Å; L507-Y510 PolarHBondContact O-N 2.89Å; L507-M511 HydrophobicContact CG-CE 4.41Å; L507-M511 WeakPolarHBondContact O-CG 3.36Å; L507-M511 PolarHBondContact O-N 3.36Å |
| 508 | H | 97.8 | Very high | 97.6 | Very high | 110 Ų | 110 | 107 Ų | 107 | 51% | 0.509 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.3 | -48.9 | 174.5 | -73 | -66.9 | 0 | 0 | 0 | 112 | N504 R505 Y510 M511 E512 | N504-H508 PolarHBondContact O-CD2 3.38Å; N504-H508 PolarHBondContact O-N 2.98Å; R505-H508 WeakPolarHBondContact O-CB 3.41Å; R505-H508 PolarHBondContact O-N 3Å; R505-H508 VanDerWaalsContact O-N 3.12Å; H508-Y510 VanDerWaalsContact C-N 3.29Å; H508-Y510 PolarHBondContact O-N 2.88Å; H508-M511 WeakPolarHBondContact ND1-CE 3.32Å; H508-M511 WeakPolarHBondContact O-CB 3.31Å; H508-M511 PolarHBondContact O-N 3.37Å; H508-M511 VanDerWaalsContact O-N 3.1Å; H508-E512 PolarHBondContact O-N 2.72Å |
| 509 | E | 97.6 | Very high | 97.6 | Very high | 77 Ų | 77 | 104.6 Ų | 104.6 | 36% | 0.36 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -56.5 | -42.5 | 175.8 | -69.5 | 167.1 | 175.9 | 0 | 0 | 111.9 | R505 H506 E512 M513 | R505-E509 WeakPolarHBondContact CG-OE1 3.42Å; R505-E509 IonicContact CZ-OE1 3.17Å; R505-E509 IonicContact NH1-OE1 2.92Å; R505-E509 PolarHBondContact NH1-OE1 3Å; R505-E509 IonicContact NH1-OE2 3.74Å; R505-E509 PolarHBondContact NH1-OE2 3.37Å; R505-E509 WeakPolarHBondContact O-CG 3.44Å; R505-E509 PolarHBondContact O-N 3.47Å; H506-E509 IonicContact CE1-OE2 3.88Å; H506-E509 IonicContact CG-OE2 2.67Å; H506-E509 IonicContact ND1-OE2 3.14Å; H506-E509 PolarHBondContact ND1-OE2 3.11Å; E509-E512 PolarHBondContact O-N 2.92Å; E509-M513 WeakPolarHBondContact O-CG 3.41Å; E509-M513 PolarHBondContact O-N 3.18Å |
| 510 | Y | 98.1 | Very high | 97.6 | Very high | 159 Ų | 159 | 105.8 Ų | 105.8 | 62% | 0.624 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.1 | -41.4 | 175.8 | 178.9 | -99.8 | 0 | 0 | 0 | 112.5 | H506 L507 H508 M513 C514 | H506-Y510 VanDerWaalsContact O-CB 3.31Å; H506-Y510 WeakPolarHBondContact O-CB 3.35Å; H506-Y510 PolarHBondContact O-N 3.48Å; L507-Y510 PolarHBondContact O-N 2.89Å; H508-Y510 VanDerWaalsContact C-N 3.29Å; H508-Y510 PolarHBondContact O-N 2.88Å; Y510-M513 PolarHBondContact O-N 3.12Å; Y510-C514 VanDerWaalsContact CE1-SG 3.53Å; Y510-C514 WeakPolarHBondContact O-CB 3.44Å; Y510-C514 PolarHBondContact O-N 2.98Å; Y510-C514 PolarHBondContact O-SG 3.39Å; Y510-C514 VanDerWaalsContact O-SG 3.38Å |
| 511 | M | 97.2 | Very high | 97.6 | Very high | 96 Ų | 96 | 103 Ų | 103 | 47% | 0.473 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 175.5 | -73.4 | -171.6 | -64.4 | 0 | 0 | 112.2 | L507 H508 C514 S515 | L507-M511 HydrophobicContact CG-CE 4.41Å; L507-M511 WeakPolarHBondContact O-CG 3.36Å; L507-M511 PolarHBondContact O-N 3.36Å; H508-M511 WeakPolarHBondContact ND1-CE 3.32Å; H508-M511 WeakPolarHBondContact O-CB 3.31Å; H508-M511 PolarHBondContact O-N 3.37Å; H508-M511 VanDerWaalsContact O-N 3.1Å; M511-C514 PolarHBondContact O-N 3.41Å; M511-S515 WeakPolarHBondContact O-CB 3.3Å; M511-S515 PolarHBondContact O-N 3.05Å |
| 512 | E | 97.6 | Very high | 97.5 | Very high | 141 Ų | 141 | 101.6 Ų | 101.6 | 66% | 0.659 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.3 | -45.2 | 174.4 | -69.8 | -173 | 163.1 | 0 | 0 | 111.8 | H508 E509 C514 S515 M516 | H508-E512 PolarHBondContact O-N 2.72Å; E509-E512 PolarHBondContact O-N 2.92Å; E512-C514 VanDerWaalsContact C-N 3.35Å; E512-C514 PolarHBondContact O-N 3.32Å; E512-S515 WeakPolarHBondContact O-CB 3.35Å; E512-S515 PolarHBondContact O-N 2.95Å; E512-S515 VanDerWaalsContact O-N 3.16Å; E512-M516 PolarHBondContact O-N 3.14Å |
| 513 | M | 97.6 | Very high | 97.5 | Very high | 122 Ų | 122 | 104.4 Ų | 104.4 | 60% | 0.601 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.6 | -38.9 | 175.9 | -72.8 | -62.5 | -66.5 | 0 | 0 | 112.5 | E509 Y510 K517 | E509-M513 WeakPolarHBondContact O-CG 3.41Å; E509-M513 PolarHBondContact O-N 3.18Å; Y510-M513 PolarHBondContact O-N 3.12Å; M513-K517 WeakPolarHBondContact O-CB 3.5Å; M513-K517 PolarHBondContact O-N 2.72Å |
| 514 | C | 96.9 | Very high | 97.4 | Very high | 54 Ų | 54 | 102.2 Ų | 102.2 | 37% | 0.365 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.4 | -40.1 | 172.6 | -74.9 | 0 | 0 | 0 | 0 | 112.6 | Y510 M511 E512 R518 | Y510-C514 VanDerWaalsContact CE1-SG 3.53Å; Y510-C514 WeakPolarHBondContact O-CB 3.44Å; Y510-C514 PolarHBondContact O-N 2.98Å; Y510-C514 PolarHBondContact O-SG 3.39Å; Y510-C514 VanDerWaalsContact O-SG 3.38Å; M511-C514 PolarHBondContact O-N 3.41Å; E512-C514 VanDerWaalsContact C-N 3.35Å; E512-C514 PolarHBondContact O-N 3.32Å; C514-R518 WeakPolarHBondContact O-CB 3.18Å; C514-R518 PolarHBondContact O-N 3.45Å |
| 515 | S | 97.6 | Very high | 97.3 | Very high | 86 Ų | 86 | 102.8 Ų | 102.8 | 60% | 0.601 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.9 | -48.9 | 175.2 | -172 | 0 | 0 | 0 | 0 | 111.2 | M511 E512 K517 R518 G519 | M511-S515 WeakPolarHBondContact O-CB 3.3Å; M511-S515 PolarHBondContact O-N 3.05Å; E512-S515 WeakPolarHBondContact O-CB 3.35Å; E512-S515 PolarHBondContact O-N 2.95Å; E512-S515 VanDerWaalsContact O-N 3.16Å; S515-K517 PolarHBondContact O-N 2.97Å; S515-R518 PolarHBondContact O-N 2.92Å; S515-G519 PolarHBondContact O-N 3.21Å |
| 516 | M | 97.6 | Very high | 97.1 | Very high | 117 Ų | 117 | 100.3 Ų | 100.3 | 58% | 0.576 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.9 | -45.5 | 176.9 | -171.7 | -176.9 | -62.6 | 0 | 0 | 111.8 | E512 R518 G519 L520 | E512-M516 PolarHBondContact O-N 3.14Å; M516-R518 PolarHBondContact O-N 3.23Å; M516-G519 WeakPolarHBondContact O-CA 3.45Å; M516-G519 PolarHBondContact O-N 3.46Å; M516-G519 VanDerWaalsContact O-N 3.14Å; M516-L520 WeakPolarHBondContact O-CG 3.34Å; M516-L520 PolarHBondContact O-N 3.43Å |
| 517 | K | 97.7 | Very high | 96.9 | Very high | 133 Ų | 133 | 99.3 Ų | 99.3 | 58% | 0.578 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -56.7 | -47.7 | 174.9 | 179.7 | -178.2 | 174.9 | -177.6 | 0 | 111.6 | M513 S515 G519 L520 D521 | M513-K517 WeakPolarHBondContact O-CB 3.5Å; M513-K517 PolarHBondContact O-N 2.72Å; S515-K517 PolarHBondContact O-N 2.97Å; K517-G519 VanDerWaalsContact C-N 3.28Å; K517-G519 PolarHBondContact O-N 2.86Å; K517-L520 PolarHBondContact O-N 3.32Å; K517-L520 VanDerWaalsContact O-N 3.14Å; K517-D521 PolarHBondContact O-N 3.47Å |
| 518 | R | 97.4 | Very high | 96.8 | Very high | 192 Ų | 192 | 102 Ų | 102 | 73% | 0.725 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.5 | -36.9 | 177.6 | -174 | 178.6 | 176.3 | 93.7 | -2.1 | 111.8 | C514 S515 M516 D521 V522 | C514-R518 WeakPolarHBondContact O-CB 3.18Å; C514-R518 PolarHBondContact O-N 3.45Å; S515-R518 PolarHBondContact O-N 2.92Å; M516-R518 PolarHBondContact O-N 3.23Å; R518-D521 PolarHBondContact O-N 3Å; R518-V522 WeakPolarHBondContact O-CG2 3.4Å; R518-V522 PolarHBondContact O-N 2.91Å; R518-V522 VanDerWaalsContact O-N 3.14Å |
| 519 | G | 97.5 | Very high | 96.6 | Very high | 35 Ų | 35 | 103.5 Ų | 103.5 | 36% | 0.361 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S515 M516 K517 V522 Q523 | S515-G519 PolarHBondContact O-N 3.21Å; M516-G519 WeakPolarHBondContact O-CA 3.45Å; M516-G519 PolarHBondContact O-N 3.46Å; M516-G519 VanDerWaalsContact O-N 3.14Å; K517-G519 VanDerWaalsContact C-N 3.28Å; K517-G519 PolarHBondContact O-N 2.86Å; G519-V522 PolarHBondContact O-N 3.23Å; G519-Q523 WeakPolarHBondContact O-CG 3.29Å; G519-Q523 PolarHBondContact O-N 3.19Å |
| 520 | L | 97.5 | Very high | 96.3 | Very high | 88 Ų | 88 | 104.7 Ų | 104.7 | 46% | 0.461 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 175.5 | -69.8 | 173.7 | 0 | 0 | 0 | 112.3 | M516 K517 V522 Q523 M524 | M516-L520 WeakPolarHBondContact O-CG 3.34Å; M516-L520 PolarHBondContact O-N 3.43Å; K517-L520 PolarHBondContact O-N 3.32Å; K517-L520 VanDerWaalsContact O-N 3.14Å; L520-V522 VanDerWaalsContact C-N 3.33Å; L520-V522 PolarHBondContact O-N 3.31Å; L520-Q523 PolarHBondContact O-N 3.32Å; L520-M524 WeakPolarHBondContact O-CB 3.21Å; L520-M524 WeakPolarHBondContact O-CG 3.21Å; L520-M524 PolarHBondContact O-N 2.84Å |
| 521 | D | 96.5 | Very high | 95.8 | Very high | 74 Ų | 74 | 102.7 Ų | 102.7 | 40% | 0.396 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.8 | -41.6 | 176 | -71.7 | -33.2 | 0 | 0 | 0 | 111.4 | K517 R518 M524 E525 | K517-D521 PolarHBondContact O-N 3.47Å; R518-D521 PolarHBondContact O-N 3Å; D521-M524 PolarHBondContact O-N 3.35Å; D521-M524 WeakPolarHBondContact OD1-CE 2.98Å; D521-E525 WeakPolarHBondContact O-CB 3.28Å; D521-E525 PolarHBondContact O-N 3.4Å |
| 522 | V | 97.2 | Very high | 94.9 | Very high | 89 Ų | 89 | 102.8 Ų | 102.8 | 54% | 0.539 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.5 | -39.3 | 174.2 | 171.1 | 0 | 0 | 0 | 0 | 112 | R518 G519 L520 T526 | R518-V522 WeakPolarHBondContact O-CG2 3.4Å; R518-V522 PolarHBondContact O-N 2.91Å; R518-V522 VanDerWaalsContact O-N 3.14Å; G519-V522 PolarHBondContact O-N 3.23Å; L520-V522 VanDerWaalsContact C-N 3.33Å; L520-V522 PolarHBondContact O-N 3.31Å; V522-T526 WeakPolarHBondContact O-CB 3.18Å; V522-T526 PolarHBondContact O-N 3.37Å; V522-T526 PolarHBondContact O-OG1 2.65Å |
| 523 | Q | 96.7 | Very high | 93.6 | Very high | 122 Ų | 122 | 102 Ų | 102 | 57% | 0.57 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.7 | -47.2 | 174.8 | -72.8 | 179.4 | 0.8 | 0 | 0 | 111.5 | G519 L520 E525 T526 C527 | G519-Q523 WeakPolarHBondContact O-CG 3.29Å; G519-Q523 PolarHBondContact O-N 3.19Å; L520-Q523 PolarHBondContact O-N 3.32Å; Q523-E525 VanDerWaalsContact C-N 3.33Å; Q523-E525 PolarHBondContact O-N 3.06Å; Q523-T526 CarbonylContact O-C 3.6Å; Q523-T526 WeakPolarHBondContact O-CB 3.44Å; Q523-T526 PolarHBondContact O-N 3.18Å; Q523-T526 VanDerWaalsContact O-N 3.1Å; Q523-C527 PolarHBondContact O-N 2.86Å; Q523-C527 PolarHBondContact O-SG 3.2Å; Q523-C527 VanDerWaalsContact O-SG 3.39Å |
| 524 | M | 95.8 | Very high | 91.8 | Very high | 92 Ų | 92 | 99.7 Ų | 99.7 | 45% | 0.453 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.3 | -43.8 | 176.9 | -75.5 | -165.8 | -67.2 | 0 | 0 | 111.8 | L520 D521 T526 C527 R528 | L520-M524 WeakPolarHBondContact O-CB 3.21Å; L520-M524 WeakPolarHBondContact O-CG 3.21Å; L520-M524 PolarHBondContact O-N 2.84Å; D521-M524 PolarHBondContact O-N 3.35Å; D521-M524 WeakPolarHBondContact OD1-CE 2.98Å; M524-T526 VanDerWaalsContact C-N 3.29Å; M524-T526 PolarHBondContact O-N 3.41Å; M524-C527 PolarHBondContact O-N 3.11Å; M524-R528 WeakPolarHBondContact O-CG 3.25Å; M524-R528 PolarHBondContact O-N 3.16Å |
| 525 | E | 95.4 | Very high | 89.9 | Confident | 84 Ų | 84 | 99.4 Ų | 99.4 | 39% | 0.393 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.1 | -29 | 177.7 | -166.7 | 51.9 | -140.7 | 0 | 0 | 112.5 | D521 Q523 R528 R529 | D521-E525 WeakPolarHBondContact O-CB 3.28Å; D521-E525 PolarHBondContact O-N 3.4Å; Q523-E525 VanDerWaalsContact C-N 3.33Å; Q523-E525 PolarHBondContact O-N 3.06Å; E525-R528 WeakPolarHBondContact OE2-CD 3.41Å; E525-R528 IonicContact OE2-CZ 2.66Å; E525-R528 IonicContact OE2-NH1 3.29Å; E525-R528 PolarHBondContact OE2-NH1 3.46Å; E525-R529 VanDerWaalsContact O-CG 3.29Å; E525-R529 WeakPolarHBondContact O-CG 3.48Å; E525-R529 PolarHBondContact O-N 3.39Å; E525-R529 VanDerWaalsContact O-N 3.12Å; E525-R529 PolarHBondContact O-NE 2.89Å |
| 526 | T | 94 | Very high | 87.7 | Confident | 52 Ų | 52 | 102.3 Ų | 102.3 | 32% | 0.319 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -72.3 | -42.5 | 172.1 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | V522 Q523 M524 R529 L530 | V522-T526 WeakPolarHBondContact O-CB 3.18Å; V522-T526 PolarHBondContact O-N 3.37Å; V522-T526 PolarHBondContact O-OG1 2.65Å; Q523-T526 CarbonylContact O-C 3.6Å; Q523-T526 WeakPolarHBondContact O-CB 3.44Å; Q523-T526 PolarHBondContact O-N 3.18Å; Q523-T526 VanDerWaalsContact O-N 3.1Å; M524-T526 VanDerWaalsContact C-N 3.29Å; M524-T526 PolarHBondContact O-N 3.41Å; T526-R529 PolarHBondContact O-N 3.04Å; T526-R529 PolarHBondContact OG1-NH2 3.1Å; T526-L530 WeakPolarHBondContact O-CG 3.32Å; T526-L530 PolarHBondContact O-N 2.85Å |
| 527 | C | 94.4 | Very high | 85.6 | Confident | 71 Ų | 71 | 106.7 Ų | 106.7 | 48% | 0.48 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 172.9 | -70.2 | 0 | 0 | 0 | 0 | 111.9 | Q523 M524 R529 L530 I531 | Q523-C527 PolarHBondContact O-N 2.86Å; Q523-C527 PolarHBondContact O-SG 3.2Å; Q523-C527 VanDerWaalsContact O-SG 3.39Å; M524-C527 PolarHBondContact O-N 3.11Å; C527-R529 PolarHBondContact O-N 3.31Å; C527-L530 PolarHBondContact O-N 3.15Å; C527-I531 VanDerWaalsContact O-CG1 3.29Å; C527-I531 WeakPolarHBondContact O-CG1 3.35Å; C527-I531 PolarHBondContact O-N 3.27Å |
| 528 | R | 94.9 | Very high | 83.2 | Confident | 147 Ų | 147 | 109 Ų | 109 | 56% | 0.555 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -57.1 | -48 | 174 | -76.2 | 172.4 | -178.5 | 163.2 | -0 | 112 | M524 E525 L530 I531 T532 | M524-R528 WeakPolarHBondContact O-CG 3.25Å; M524-R528 PolarHBondContact O-N 3.16Å; E525-R528 WeakPolarHBondContact OE2-CD 3.41Å; E525-R528 IonicContact OE2-CZ 2.66Å; E525-R528 IonicContact OE2-NH1 3.29Å; E525-R528 PolarHBondContact OE2-NH1 3.46Å; R528-L530 PolarHBondContact O-N 3.36Å; R528-I531 PolarHBondContact O-N 3.15Å; R528-T532 PolarHBondContact O-N 2.85Å; R528-T532 PolarHBondContact O-OG1 3.48Å |
| 529 | R | 92.5 | Very high | 80.4 | Confident | 142 Ų | 142 | 105.1 Ų | 105.1 | 54% | 0.536 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.3 | -38.2 | 178.1 | -74.1 | -179.7 | -64.3 | 163.5 | 2.7 | 113.1 | E525 T526 C527 T532 Q533 | E525-R529 VanDerWaalsContact O-CG 3.29Å; E525-R529 WeakPolarHBondContact O-CG 3.48Å; E525-R529 PolarHBondContact O-N 3.39Å; E525-R529 VanDerWaalsContact O-N 3.12Å; E525-R529 PolarHBondContact O-NE 2.89Å; T526-R529 PolarHBondContact O-N 3.04Å; T526-R529 PolarHBondContact OG1-NH2 3.1Å; C527-R529 PolarHBondContact O-N 3.31Å; R529-T532 WeakPolarHBondContact CA-OG1 3.48Å; R529-T532 PolarHBondContact O-OG1 2.8Å; R529-Q533 WeakPolarHBondContact O-CB 3.36Å; R529-Q533 PolarHBondContact O-N 3.05Å |
| 530 | L | 91.6 | Very high | 77.9 | Confident | 103 Ų | 103 | 109.4 Ų | 109.4 | 54% | 0.539 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.6 | -40.3 | 174.3 | -71.4 | 171.5 | 0 | 0 | 0 | 111.8 | T526 C527 R528 S534 | T526-L530 WeakPolarHBondContact O-CG 3.32Å; T526-L530 PolarHBondContact O-N 2.85Å; C527-L530 PolarHBondContact O-N 3.15Å; R528-L530 PolarHBondContact O-N 3.36Å; L530-S534 VanDerWaalsContact O-CB 3.3Å; L530-S534 WeakPolarHBondContact O-CB 3.43Å; L530-S534 PolarHBondContact O-N 3.48Å; L530-S534 PolarHBondContact O-OG 3.37Å |
| 531 | I | 87.8 | Confident | 75.1 | Confident | 117 Ų | 117 | 109.7 Ų | 109.7 | 60% | 0.6 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.7 | -49.5 | 176.4 | -68 | 163.5 | 0 | 0 | 0 | 110.5 | C527 R528 S534 G535 | C527-I531 VanDerWaalsContact O-CG1 3.29Å; C527-I531 WeakPolarHBondContact O-CG1 3.35Å; C527-I531 PolarHBondContact O-N 3.27Å; R528-I531 PolarHBondContact O-N 3.15Å; I531-S534 PolarHBondContact O-N 3.4Å; I531-S534 PolarHBondContact O-OG 3.02Å; I531-G535 PolarHBondContact O-N 3.11Å |
| 532 | T | 79.6 | Confident | 72.6 | Confident | 98 Ų | 98 | 115.7 Ų | 115.7 | 60% | 0.601 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -64.1 | -42.7 | 178.7 | 53.4 | 0 | 0 | 0 | 0 | 112.2 | R528 R529 S534 G535 D536 | R528-T532 PolarHBondContact O-N 2.85Å; R528-T532 PolarHBondContact O-OG1 3.48Å; R529-T532 WeakPolarHBondContact CA-OG1 3.48Å; R529-T532 PolarHBondContact O-OG1 2.8Å; T532-S534 VanDerWaalsContact C-N 3.26Å; T532-S534 PolarHBondContact O-N 3.07Å; T532-G535 PolarHBondContact O-N 3.41Å; T532-G535 VanDerWaalsContact O-N 3.12Å; T532-D536 PolarHBondContact O-N 2.97Å |
| 533 | Q | 68.9 | Low | 69.7 | Low | 124 Ų | 124 | 118.6 Ų | 118.6 | 58% | 0.579 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.7 | -25.9 | 175.3 | -169.6 | 178.9 | 63.6 | 0 | 0 | 113.3 | R529 | R529-Q533 WeakPolarHBondContact O-CB 3.36Å; R529-Q533 PolarHBondContact O-N 3.05Å |
| 534 | S | 60.2 | Low | 66.8 | Low | 74 Ų | 74 | 117 Ų | 117 | 52% | 0.517 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -77.5 | -29.3 | 172.5 | 77.3 | 0 | 0 | 0 | 0 | 113.1 | L530 I531 T532 | L530-S534 VanDerWaalsContact O-CB 3.3Å; L530-S534 WeakPolarHBondContact O-CB 3.43Å; L530-S534 PolarHBondContact O-N 3.48Å; L530-S534 PolarHBondContact O-OG 3.37Å; I531-S534 PolarHBondContact O-N 3.4Å; I531-S534 PolarHBondContact O-OG 3.02Å; T532-S534 VanDerWaalsContact C-N 3.26Å; T532-S534 PolarHBondContact O-N 3.07Å |
| 535 | G | 56.7 | Low | 64.4 | Low | 48 Ų | 48 | 118.8 Ų | 118.8 | 50% | 0.495 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -66.9 | -34.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | I531 T532 R537 | I531-G535 PolarHBondContact O-N 3.11Å; T532-G535 PolarHBondContact O-N 3.41Å; T532-G535 VanDerWaalsContact O-N 3.12Å; G535-R537 VanDerWaalsContact C-N 3.3Å; G535-R537 PolarHBondContact O-N 2.91Å |
| 536 | D | 51.8 | Low | 62.1 | Low | 146 Ų | 146 | 120.8 Ų | 120.8 | 78% | 0.781 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -1.2 | -175.9 | -107.4 | -11.6 | 0 | 0 | 0 | 115 | T532 K538 | T532-D536 PolarHBondContact O-N 2.97Å; D536-K538 PolarHBondContact O-N 3.43Å |
| 537 | R | 54.5 | Low | 59.7 | Low | 210 Ų | 210 | 125.7 Ų | 125.7 | 79% | 0.792 | 69% | 0.694 | S | S | * | * | trans | -77.6 | 41.7 | -178.5 | -68.6 | -171 | 176.3 | -112.2 | 1.9 | 114.2 | G535 | G535-R537 VanDerWaalsContact C-N 3.3Å; G535-R537 PolarHBondContact O-N 2.91Å | ||
| 538 | K | 47.4 | Very low | 57.1 | Low | 181 Ų | 181 | 127.8 Ų | 127.8 | 79% | 0.787 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -129.8 | 53.6 | 178.9 | -70 | 169.6 | -176.6 | 164 | 0 | 112.6 | D536 | D536-K538 PolarHBondContact O-N 3.43Š|
| 539 | S | 38.1 | Very low | 54.4 | Low | 110 Ų | 110 | 127.9 Ų | 127.9 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | trans | 173.8 | 114.5 | 146 | -81.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 540 | P | 45.3 | Very low | 53 | Low | 125 Ų | 125 | 126.1 Ų | 126.1 | 81% | 0.812 | 73% | 0.728 | S | S | * | * | trans | -95 | 93.6 | 162.8 | 33.6 | -25.8 | 0 | 0 | 0 | 109.8 | ||||
| 541 | A | 37.4 | Very low | 51.4 | Low | 94 Ų | 94 | 126.9 Ų | 126.9 | 78% | 0.777 | 74% | 0.738 | S | S | * | * | trans | -96.1 | 122.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 542 | F | 43.9 | Very low | 50.2 | Low | 201 Ų | 201 | 127 Ų | 127 | 88% | 0.882 | 75% | 0.747 | S | S | * | * | trans | -70.8 | 134.4 | -178.2 | -78 | -109.9 | 0 | 0 | 0 | 112.2 | ||||
| 543 | T | 36.5 | Very low | 49.5 | Very low | 149 Ų | 149 | 127.9 Ų | 127.9 | 91% | 0.914 | 76% | 0.755 | S | S | * | * | trans | -146.8 | 134.6 | 148.5 | 13.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 544 | A | 36.6 | Very low | 48.8 | Very low | 89 Ų | 89 | 128 Ų | 128 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | trans | -109 | 129.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 545 | V | 44.2 | Very low | 48.1 | Very low | 130 Ų | 130 | 130.1 Ų | 130.1 | 79% | 0.788 | 78% | 0.781 | S | S | * | * | 33.7 | 123.4 | 125.2 | -175.7 | 0 | 0 | 0 | 0 | 117 | |||||
| 546 | P | 48.8 | Very low | 47.5 | Very low | 125 Ų | 125 | 137 Ų | 137 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | -134.2 | 142.9 | 74.2 | 17.3 | 6.2 | 0 | 0 | 0 | 114.8 | |||||
| 547 | L | 41.8 | Very low | 47.1 | Very low | 156 Ų | 156 | 134.3 Ų | 134.3 | 82% | 0.817 | 80% | 0.798 | S | S | * | * | 90.5 | 96.7 | 60.2 | -167.4 | 78.5 | 0 | 0 | 0 | 113.6 | |||||
| 548 | S | 41.5 | Very low | 46.3 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | 175.3 | 152.1 | 164 | -73 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 549 | D | 38.3 | Very low | 45.8 | Very low | 149 Ų | 149 | 131.5 Ų | 131.5 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | cis | -158.5 | 176.8 | -29.2 | -126.6 | 45.4 | 0 | 0 | 0 | 108.5 | ||||
| 550 | P | 61.5 | Low | 45.9 | Very low | 105 Ų | 105 | 130.1 Ų | 130.1 | 68% | 0.682 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 166.5 | -158 | 37.1 | -37.4 | 0 | 0 | 0 | 116.9 | ||
| 551 | P | 58.1 | Low | 45.5 | Very low | 118 Ų | 118 | 129.3 Ų | 129.3 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 157.9 | -178.6 | 36.8 | -35.9 | 0 | 0 | 0 | 114.5 | ||
| 552 | P | 64.3 | Low | 45.7 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 161.8 | 170.9 | 33.9 | -33.9 | 0 | 0 | 0 | 113.4 | ||
| 553 | P | 63.3 | Low | 45.4 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 167.2 | -164 | 35.7 | -38.1 | 0 | 0 | 0 | 115.3 | ||
| 554 | P | 54.2 | Low | 45.8 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 143 | 171.2 | 32.4 | -35 | 0 | 0 | 0 | 111.8 | ||
| 555 | S | 46.3 | Very low | 46 | Very low | 120 Ų | 120 | 131.7 Ų | 131.7 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | trans | -100.3 | 114.8 | 170.4 | 55.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 556 | E | 43.6 | Very low | 45.9 | Very low | 191 Ų | 191 | 130.6 Ų | 130.6 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | trans | -80.5 | 134.8 | 167 | -62.6 | 176.2 | 142.4 | 0 | 0 | 110.4 | ||||
| 557 | A | 42.6 | Very low | 45.6 | Very low | 91 Ų | 91 | 131.4 Ų | 131.4 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | trans | -167.5 | 100.8 | 154.5 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 558 | E | 39.4 | Very low | 45.4 | Very low | 180 Ų | 180 | 129.6 Ų | 129.6 | 84% | 0.841 | 77% | 0.766 | S | S | * | * | 69.4 | 127.2 | 76.5 | -73.2 | -82.9 | 91.2 | 0 | 0 | 113.1 | |||||
| 559 | D | 35.6 | Very low | 45.7 | Very low | 151 Ų | 151 | 129.1 Ų | 129.1 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | trans | 65.8 | 145 | 169.3 | -101.7 | -20.6 | 0 | 0 | 0 | 118.7 | ||||
| 560 | S | 40.4 | Very low | 46.2 | Very low | 82 Ų | 82 | 130.8 Ų | 130.8 | 57% | 0.573 | 77% | 0.768 | S | S | * | * | cis | -158.9 | 154.5 | -1.8 | -148.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 561 | D | 36.8 | Very low | 45.5 | Very low | 108 Ų | 108 | 141 Ų | 141 | 58% | 0.578 | 79% | 0.793 | S | S | * | * | trans | 48 | 132.7 | 141.7 | -89.9 | 9 | 0 | 0 | 0 | 124.1 | ||||
| 562 | R | 42 | Very low | 44.9 | Very low | 202 Ų | 202 | 142.2 Ų | 142.2 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | 74.7 | 149.4 | 140.7 | -68.4 | 175.5 | -140.8 | -151.2 | 2.3 | 119.2 | ||||
| 563 | D | 37.9 | Very low | 43.8 | Very low | 143 Ų | 143 | 143.3 Ų | 143.3 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | cis | -148.8 | 164.2 | 0.6 | -116.6 | -34.4 | 0 | 0 | 0 | 111.6 | ||||
| 564 | V | 44.8 | Very low | 42.7 | Very low | 122 Ų | 122 | 144.8 Ų | 144.8 | 74% | 0.739 | 80% | 0.797 | S | S | * | * | trans | -103.1 | 120.8 | 173.8 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 565 | S | 39.9 | Very low | 42.1 | Very low | 115 Ų | 115 | 145.9 Ų | 145.9 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -145.3 | 125.7 | 154.9 | -75.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 566 | S | 43.9 | Very low | 41.8 | Very low | 108 Ų | 108 | 147.6 Ų | 147.6 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | cis | 54.1 | 73.5 | 26.9 | -59.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 567 | D | 40.8 | Very low | 41.7 | Very low | 141 Ų | 141 | 144.7 Ų | 144.7 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | -112.3 | 104.4 | 155.8 | -168.2 | 4.6 | 0 | 0 | 0 | 109.5 | S569 | D567-S569 PolarHBondContact OD1-N 2.99Š| ||
| 568 | S | 38.2 | Very low | 41.6 | Very low | 118 Ų | 118 | 148.5 Ų | 148.5 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -108.2 | 89.9 | 166.5 | 56.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 569 | S | 47 | Very low | 41.8 | Very low | 105 Ų | 105 | 146.1 Ų | 146.1 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | -101 | 105.1 | 179.2 | -162.6 | 0 | 0 | 0 | 0 | 110.4 | D567 | D567-S569 PolarHBondContact OD1-N 2.99Š| ||
| 570 | M | 49.6 | Very low | 42.3 | Very low | 185 Ų | 185 | 145.7 Ų | 145.7 | 91% | 0.911 | 78% | 0.784 | S | S | * | * | trans | -80.5 | 133.5 | 163.5 | -83.9 | -172.8 | 144.6 | 0 | 0 | 110 | ||||
| 571 | R | 46.6 | Very low | 42.5 | Very low | 319 Ų | 319 | 151.5 Ų | 151.5 | 100% | 1.204 | 80% | 0.803 | S | S | * | * | trans | -149.9 | 0 | 141.9 | -123.4 | -177.4 | -172.2 | -142.1 | -0.5 | 110.5 |
Retrieved 571 of 571 residues in 2365.9 ms
(Link to these results)