| 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 | 29.7 | Very low | 31.2 | Very low | 240 Ų | 240 | 170.8 Ų | 170.8 | 100% | 1.182 | 85% | 0.848 | S | S | * | * | 0 | 102 | 0 | -73.9 | 163.4 | 164.7 | 0 | 0 | 106.3 | |||||
| 2 | A | 26.1 | Very low | 31.5 | Very low | 99 Ų | 99 | 175.9 Ų | 175.9 | 82% | 0.818 | 85% | 0.851 | S | S | * | * | 74.4 | 124 | 103.9 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 3 | E | 29.9 | Very low | 32 | Very low | 186 Ų | 186 | 170.2 Ų | 170.2 | 87% | 0.869 | 84% | 0.836 | S | S | * | * | cis | -157.2 | 164.7 | 11.9 | -74.8 | -154.3 | 117.8 | 0 | 0 | 110.5 | ||||
| 4 | P | 37.3 | Very low | 32.4 | Very low | 114 Ų | 114 | 166.4 Ų | 166.4 | 74% | 0.74 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 145 | 175 | 35.4 | -27.7 | 0 | 0 | 0 | 113.8 | ||
| 5 | R | 33 | Very low | 32.9 | Very low | 249 Ų | 249 | 163.1 Ų | 163.1 | 94% | 0.94 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 128.8 | 170.3 | -72.7 | 179.9 | 162.6 | 129.2 | -3 | 111.3 | N7 | R5-N7 PolarHBondContact O-N 3.43Š|
| 6 | F | 30.6 | Very low | 33 | Very low | 217 Ų | 217 | 160.3 Ų | 160.3 | 95% | 0.952 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 122.6 | 170.6 | -87.1 | -99.8 | 0 | 0 | 0 | 111.3 | ||
| 7 | N | 31.1 | Very low | 33.1 | Very low | 164 Ų | 164 | 157.8 Ų | 157.8 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | trans | -112.3 | 115 | 167.6 | -140.1 | -0.8 | 0 | 0 | 0 | 108.8 | R5 | R5-N7 PolarHBondContact O-N 3.43Š| ||
| 8 | N | 31.5 | Very low | 33 | Very low | 130 Ų | 130 | 158.9 Ų | 158.9 | 70% | 0.695 | 83% | 0.825 | S | S | * | * | trans | -90.5 | 118.2 | -176.6 | 179.6 | 8.2 | 0 | 0 | 0 | 109.8 | Y10 | N8-Y10 PolarHBondContact O-N 3.32Š| ||
| 9 | P | 34.5 | Very low | 33.1 | Very low | 108 Ų | 108 | 156.7 Ų | 156.7 | 70% | 0.701 | 82% | 0.822 | S | S | * | * | trans | -94.4 | 50.4 | -169.3 | 38 | -35.5 | 0 | 0 | 0 | 113.4 | ||||
| 10 | Y | 31.3 | Very low | 33.1 | Very low | 170 Ų | 170 | 152.7 Ų | 152.7 | 67% | 0.667 | 82% | 0.82 | S | S | * | * | trans | -135.5 | 67.7 | 173.3 | -69.1 | -74 | 0 | 0 | 0 | 111.8 | N8 | N8-Y10 PolarHBondContact O-N 3.32Š| ||
| 11 | F | 28.7 | Very low | 33 | Very low | 202 Ų | 202 | 155 Ų | 155 | 89% | 0.886 | 83% | 0.825 | S | S | * | * | trans | -125.6 | 109.8 | 161.6 | -136.1 | -97.3 | 0 | 0 | 0 | 107.4 | ||||
| 12 | W | 34.8 | Very low | 33 | Very low | 232 Ų | 232 | 151.6 Ų | 151.6 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 125.3 | 168.8 | -81 | 79.4 | 0 | 0 | 0 | 107.5 | ||
| 13 | P | 37.2 | Very low | 33.2 | Very low | 102 Ų | 102 | 154.8 Ų | 154.8 | 66% | 0.662 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 151.1 | 167 | 29.8 | -30.1 | 0 | 0 | 0 | 110.2 | ||
| 14 | P | 37.8 | Very low | 33.2 | Very low | 117 Ų | 117 | 153.8 Ų | 153.8 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 152.8 | 175.7 | 29.2 | -32.9 | 0 | 0 | 0 | 111.1 | ||
| 15 | P | 39.9 | Very low | 33 | Very low | 116 Ų | 116 | 157.9 Ų | 157.9 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 146.9 | -177.9 | 28.4 | -33.6 | 0 | 0 | 0 | 111.9 | ||
| 16 | P | 34.9 | Very low | 32.9 | Very low | 118 Ų | 118 | 150.8 Ų | 150.8 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 137.8 | 175.8 | 29 | -32.2 | 0 | 0 | 0 | 111.4 | M18 | P16-M18 PolarHBondContact O-N 3.36Š|
| 17 | S | 33.8 | Very low | 32.8 | Very low | 119 Ų | 119 | 148.3 Ų | 148.3 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 123.6 | 168.6 | -20.2 | 0 | 0 | 0 | 0 | 109.4 | ||
| 18 | M | 32.6 | Very low | 32.8 | Very low | 177 Ų | 177 | 148.5 Ų | 148.5 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 127.3 | 174.2 | -72.8 | -70.7 | -123.6 | 0 | 0 | 110.4 | P16 | P16-M18 PolarHBondContact O-N 3.36Š|
| 19 | P | 33.5 | Very low | 32.8 | Very low | 117 Ų | 117 | 150.3 Ų | 150.3 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 153 | 162.3 | 32.3 | -29.2 | 0 | 0 | 0 | 110.2 | ||
| 20 | G | 33.6 | Very low | 32.6 | Very low | 76 Ų | 76 | 154.8 Ų | 154.8 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 164 | -168 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 21 | Q | 30.5 | Very low | 32.8 | Very low | 201 Ų | 201 | 152.1 Ų | 152.1 | 94% | 0.939 | 81% | 0.81 | S | S | * | * | trans | -143.6 | 102.9 | 154.9 | -118.3 | 179.6 | -17.4 | 0 | 0 | 108.4 | ||||
| 22 | E | 30 | Very low | 33.5 | Very low | 170 Ų | 170 | 147.2 Ų | 147.2 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | -72.2 | 154.2 | 157.2 | -78.6 | -168.9 | 96.7 | 0 | 0 | 110.4 | ||||
| 23 | Q | 30.8 | Very low | 33.4 | Very low | 166 Ų | 166 | 143 Ų | 143 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | 74.4 | 109.3 | 155.2 | -75.6 | 165.5 | -5.9 | 0 | 0 | 119.4 | ||||
| 24 | L | 30.5 | Very low | 33.2 | Very low | 164 Ų | 164 | 145.1 Ų | 145.1 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | 179.5 | 106.6 | 102.9 | -94.9 | 155.8 | 0 | 0 | 0 | 109.2 | |||||
| 25 | M | 32.1 | Very low | 33.4 | Very low | 200 Ų | 200 | 144.6 Ų | 144.6 | 99% | 0.985 | 79% | 0.789 | S | S | * | * | trans | -162.8 | 123.8 | 133.4 | -70.3 | -151.8 | -179 | 0 | 0 | 108.1 | ||||
| 26 | A | 31.8 | Very low | 32.7 | Very low | 101 Ų | 101 | 143.3 Ų | 143.3 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -111.6 | 167.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 27 | E | 29 | Very low | 32.4 | Very low | 165 Ų | 165 | 144.2 Ų | 144.2 | 77% | 0.771 | 79% | 0.792 | S | S | * | * | trans | 82.5 | 126.5 | -174.9 | -77.8 | -155.9 | 99 | 0 | 0 | 115.4 | ||||
| 28 | K | 31.2 | Very low | 32.3 | Very low | 167 Ų | 167 | 143.6 Ų | 143.6 | 73% | 0.726 | 79% | 0.788 | S | S | * | * | cis | -164.1 | 142.2 | 12.4 | -159.5 | 166.8 | -161.4 | 138.5 | 0 | 108 | ||||
| 29 | I | 30.9 | Very low | 32.1 | Very low | 168 Ų | 168 | 140.1 Ų | 140.1 | 86% | 0.862 | 79% | 0.787 | S | S | * | * | trans | 162.7 | 118.6 | 141.2 | -78.2 | 151.8 | 0 | 0 | 0 | 107.5 | ||||
| 30 | R | 29.8 | Very low | 31.9 | Very low | 202 Ų | 202 | 139.1 Ų | 139.1 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | -86.2 | 156.7 | 177.6 | -156.6 | -166.8 | -95.5 | -175.6 | -7.7 | 109.9 | ||||
| 31 | P | 35 | Very low | 31.6 | Very low | 115 Ų | 115 | 140.7 Ų | 140.7 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | -145.4 | -166.9 | 95.9 | 41.3 | -22.6 | 0 | 0 | 0 | 111.9 | |||||
| 32 | P | 44.3 | Very low | 31.8 | Very low | 98 Ų | 98 | 140.2 Ų | 140.2 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | -109.7 | 160.2 | -98.8 | 27.4 | -6.8 | 0 | 0 | 0 | 115.9 | |||||
| 33 | H | 31.9 | Very low | 31.9 | Very low | 143 Ų | 143 | 140.9 Ų | 140.9 | 66% | 0.662 | 79% | 0.789 | S | S | * | * | trans | 25.9 | 138.8 | 138.1 | -63.9 | -90.7 | 0 | 0 | 0 | 119.3 | ||||
| 34 | L | 33 | Very low | 32.9 | Very low | 147 Ų | 147 | 137.4 Ų | 137.4 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | cis | 178.6 | -171.9 | 12.8 | -94.8 | 164.2 | 0 | 0 | 0 | 104.5 | ||||
| 35 | P | 41.4 | Very low | 32.6 | Very low | 106 Ų | 106 | 136.4 Ų | 136.4 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | -125.2 | 151 | -59.7 | 38.6 | -21.6 | 0 | 0 | 0 | 112 | |||||
| 36 | A | 27.3 | Very low | 32.4 | Very low | 90 Ų | 90 | 134.4 Ų | 134.4 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | 74.9 | 122.2 | 99.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 37 | V | 28.2 | Very low | 32.3 | Very low | 136 Ų | 136 | 134.8 Ų | 134.8 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | -163.6 | 108.4 | 120 | -100 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 38 | S | 30.6 | Very low | 32.9 | Very low | 107 Ų | 107 | 133 Ų | 133 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | 76.6 | 100.3 | 99.6 | -52.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 39 | A | 28.9 | Very low | 32.8 | Very low | 104 Ų | 104 | 131.1 Ų | 131.1 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | 79.2 | 121.6 | 67.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 40 | A | 28.8 | Very low | 32.7 | Very low | 95 Ų | 95 | 127 Ų | 127 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | 150.1 | 104 | 148 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 41 | S | 28.7 | Very low | 32.6 | Very low | 110 Ų | 110 | 126.8 Ų | 126.8 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | 59.2 | 107.2 | 62.1 | -155.5 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 42 | Q | 33.9 | Very low | 32.2 | Very low | 191 Ų | 191 | 126.1 Ų | 126.1 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | -175.8 | 143.2 | 125.6 | -96.4 | 168.5 | 64.4 | 0 | 0 | 110.9 | |||||
| 43 | Q | 32.3 | Very low | 31.4 | Very low | 184 Ų | 184 | 131.1 Ų | 131.1 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -94.7 | -151.8 | -173 | -62.9 | -150.4 | -40.6 | 0 | 0 | 112.8 | ||||
| 44 | P | 51.2 | Low | 31.2 | Very low | 93 Ų | 93 | 128.2 Ų | 128.2 | 60% | 0.604 | 81% | 0.806 | S | S | * | * | -119.2 | -177.3 | -115.4 | 32.5 | -8.5 | 0 | 0 | 0 | 111.4 | |||||
| 45 | L | 25 | Very low | 30.9 | Very low | 142 Ų | 142 | 126.3 Ų | 126.3 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | trans | 165.8 | 142.6 | 130.8 | -115.2 | 72.1 | 0 | 0 | 0 | 113.5 | ||||
| 46 | M | 26.4 | Very low | 30.4 | Very low | 159 Ų | 159 | 129 Ų | 129 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | trans | 75.5 | 119.3 | 142 | -58.9 | -73.5 | 90.9 | 0 | 0 | 121.9 | ||||
| 47 | S | 30.8 | Very low | 30.5 | Very low | 108 Ų | 108 | 133.2 Ų | 133.2 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | trans | -70.9 | 165.1 | 143.9 | -40 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 48 | P | 41.4 | Very low | 30.4 | Very low | 129 Ų | 129 | 129.7 Ų | 129.7 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | -149.5 | 178.6 | 98.3 | 35.5 | -15.6 | 0 | 0 | 0 | 116.1 | |||||
| 49 | S | 29.9 | Very low | 30.5 | Very low | 127 Ų | 127 | 133 Ų | 133 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | trans | -66.6 | 165.2 | -167.6 | -39.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 50 | G | 27.2 | Very low | 30.6 | Very low | 80 Ų | 80 | 132.5 Ų | 132.5 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -165.3 | 127.6 | 160.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 51 | Q | 28 | Very low | 30.9 | Very low | 199 Ų | 199 | 136.9 Ų | 136.9 | 93% | 0.93 | 80% | 0.801 | S | S | * | * | trans | -91.4 | 166.1 | -174 | -64.2 | 171.9 | -53.7 | 0 | 0 | 113.5 | ||||
| 52 | A | 27.5 | Very low | 30.9 | Very low | 100 Ų | 100 | 135.3 Ų | 135.3 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | 139 | 155.9 | 120.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 53 | E | 27.5 | Very low | 30.9 | Very low | 203 Ų | 203 | 133.1 Ų | 133.1 | 95% | 0.949 | 79% | 0.785 | S | S | * | * | trans | -82 | 175.2 | -155.4 | -58.3 | 169.5 | 100.9 | 0 | 0 | 116.9 | ||||
| 54 | G | 26.5 | Very low | 31 | Very low | 82 Ų | 82 | 132.5 Ų | 132.5 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | 164 | 127.9 | 156.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 55 | S | 27.5 | Very low | 30 | Very low | 108 Ų | 108 | 130.8 Ų | 130.8 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -97.6 | 158.2 | -164.8 | -97.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 56 | Q | 30.3 | Very low | 30.2 | Very low | 161 Ų | 161 | 130.3 Ų | 130.3 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | 73.3 | 152.7 | 132.8 | -73.4 | 179.5 | -15.8 | 0 | 0 | 125.6 | ||||
| 57 | H | 29.8 | Very low | 30.2 | Very low | 179 Ų | 179 | 125.7 Ų | 125.7 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | trans | 84.3 | 135.2 | 164.8 | -64.3 | -64.3 | 0 | 0 | 0 | 117.6 | ||||
| 58 | G | 26.9 | Very low | 29.9 | Very low | 63 Ų | 63 | 128.2 Ų | 128.2 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | cis | 149.7 | 125.1 | 8.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 59 | M | 32.9 | Very low | 29.2 | Very low | 175 Ų | 175 | 130.6 Ų | 130.6 | 86% | 0.862 | 79% | 0.787 | S | S | * | * | 130.3 | 122.5 | 109.8 | -77.6 | -165.6 | 109.6 | 0 | 0 | 109.1 | |||||
| 60 | S | 30.6 | Very low | 29.1 | Very low | 94 Ų | 94 | 129.9 Ų | 129.9 | 66% | 0.657 | 78% | 0.781 | S | S | * | * | 83 | 143.7 | 98.9 | -59.2 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 61 | K | 34 | Very low | 29.5 | Very low | 188 Ų | 188 | 132 Ų | 132 | 82% | 0.817 | 78% | 0.781 | S | S | * | * | cis | -169.8 | 140.5 | 26.1 | -127.9 | 167.6 | 177.7 | -179.5 | 0 | 107.5 | ||||
| 62 | A | 30.2 | Very low | 29.4 | Very low | 76 Ų | 76 | 127.8 Ų | 127.8 | 63% | 0.628 | 77% | 0.773 | S | S | * | * | 76.3 | 147.8 | 106.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 63 | Q | 33.8 | Very low | 29.8 | Very low | 145 Ų | 145 | 128.8 Ų | 128.8 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | cis | -168.1 | 130.5 | 37.5 | -146.6 | 148.6 | -39.3 | 0 | 0 | 109.1 | ||||
| 64 | Q | 34.6 | Very low | 29.8 | Very low | 171 Ų | 171 | 124.8 Ų | 124.8 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | 66.2 | 149.7 | 106.6 | -61.5 | 170.3 | 3.7 | 0 | 0 | 116.3 | |||||
| 65 | G | 29.1 | Very low | 29.9 | Very low | 57 Ų | 57 | 128.4 Ų | 128.4 | 59% | 0.588 | 76% | 0.761 | S | S | * | * | cis | -170.7 | 152.6 | 9.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 66 | S | 29.6 | Very low | 30.5 | Very low | 133 Ų | 133 | 129.3 Ų | 129.3 | 93% | 0.93 | 76% | 0.764 | S | S | * | * | 87 | 139.1 | 99 | 55.6 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 67 | G | 25.8 | Very low | 30.3 | Very low | 62 Ų | 62 | 127.7 Ų | 127.7 | 64% | 0.639 | 76% | 0.76 | S | S | * | * | cis | -169.5 | 155.8 | 7.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 68 | L | 25.1 | Very low | 30.3 | Very low | 160 Ų | 160 | 127.7 Ų | 127.7 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | 89.2 | 119.1 | 110.1 | -74.8 | 166.3 | 0 | 0 | 0 | 116 | |||||
| 69 | H | 26.1 | Very low | 30.3 | Very low | 180 Ų | 180 | 128.5 Ų | 128.5 | 83% | 0.833 | 77% | 0.765 | S | S | * | * | 154.1 | 122 | 124.1 | -90.6 | -92.8 | 0 | 0 | 0 | 112.1 | |||||
| 70 | S | 28.1 | Very low | 30 | Very low | 111 Ų | 111 | 127.2 Ų | 127.2 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | trans | -96 | 157 | 157.1 | -50.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 71 | P | 35.1 | Very low | 29.9 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | -150.4 | 159.2 | 93.6 | 35.7 | -16.3 | 0 | 0 | 0 | 116.2 | |||||
| 72 | S | 25.9 | Very low | 29.5 | Very low | 111 Ų | 111 | 126.8 Ų | 126.8 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | -65.8 | 166.9 | 158.6 | -60.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 73 | P | 36.9 | Very low | 29.5 | Very low | 120 Ų | 120 | 134.7 Ų | 134.7 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | cis | -152 | 172.3 | 46.6 | 39.8 | -17.4 | 0 | 0 | 0 | 117.6 | ||||
| 74 | S | 26.5 | Very low | 29.3 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | 154.9 | 121.5 | 134.7 | 61.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 75 | Q | 30 | Very low | 28.7 | Very low | 159 Ų | 159 | 129.2 Ų | 129.2 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | trans | -82.5 | 172.2 | 158.2 | -69.9 | -162.2 | -73.2 | 0 | 0 | 110.9 | ||||
| 76 | P | 39.2 | Very low | 28.6 | Very low | 127 Ų | 127 | 132.5 Ų | 132.5 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | -139.5 | 153.9 | 98.3 | 34.2 | -18.9 | 0 | 0 | 0 | 115.4 | |||||
| 77 | D | 25.9 | Very low | 28.4 | Very low | 127 Ų | 127 | 131.1 Ų | 131.1 | 68% | 0.679 | 78% | 0.784 | S | S | * | * | trans | -67.9 | 153 | 162.5 | -73.9 | -55.2 | 0 | 0 | 0 | 112.3 | ||||
| 78 | I | 29.9 | Very low | 28.6 | Very low | 179 Ų | 179 | 133.4 Ų | 133.4 | 92% | 0.918 | 79% | 0.79 | S | S | * | * | trans | -163.3 | 144.9 | 136.2 | -90.6 | 146.5 | 0 | 0 | 0 | 108.8 | ||||
| 79 | A | 26.3 | Very low | 28.6 | Very low | 79 Ų | 79 | 131.5 Ų | 131.5 | 65% | 0.653 | 79% | 0.785 | S | S | * | * | trans | -100.1 | -177.2 | -158.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 80 | L | 26.4 | Very low | 28.7 | Very low | 149 Ų | 149 | 129.2 Ų | 129.2 | 78% | 0.78 | 78% | 0.784 | S | S | * | * | trans | 98 | 113.6 | 151.2 | -85.7 | 109.9 | 0 | 0 | 0 | 121.2 | ||||
| 81 | H | 28.6 | Very low | 28.6 | Very low | 176 Ų | 176 | 126.7 Ų | 126.7 | 82% | 0.815 | 78% | 0.775 | S | S | * | * | trans | 53.5 | 117.9 | 134.5 | -70.1 | -106.7 | 0 | 0 | 0 | 121.3 | ||||
| 82 | A | 25.7 | Very low | 28.4 | Very low | 97 Ų | 97 | 132.3 Ų | 132.3 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | -161.7 | 120.6 | 123.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 83 | R | 31.2 | Very low | 28.5 | Very low | 242 Ų | 242 | 134.9 Ų | 134.9 | 91% | 0.913 | 78% | 0.784 | S | S | * | * | trans | -66.4 | 155.4 | 151.4 | -85.7 | 174.9 | 158.9 | -175 | -4.9 | 108.6 | ||||
| 84 | P | 28.9 | Very low | 28.3 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | -129.7 | 126.7 | 116.6 | 14 | 5.9 | 0 | 0 | 0 | 109.9 | |||||
| 85 | A | 22.7 | Very low | 28.4 | Very low | 82 Ų | 82 | 134.5 Ų | 134.5 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | 70.7 | 107.2 | 89 | 0 | 0 | 0 | 0 | 0 | 112.2 | S87 | A85-S87 PolarHBondContact O-N 3.14Š| |||
| 86 | S | 26.8 | Very low | 28.6 | Very low | 126 Ų | 126 | 134 Ų | 134 | 88% | 0.881 | 78% | 0.78 | S | S | * | * | trans | -43.3 | 125.5 | 162.3 | 47.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 87 | S | 25.7 | Very low | 28.6 | Very low | 103 Ų | 103 | 131.6 Ų | 131.6 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | trans | -133.9 | 120.2 | 151.3 | 57.2 | 0 | 0 | 0 | 0 | 109.4 | A85 V89 | A85-S87 PolarHBondContact O-N 3.14Å; S87-V89 PolarHBondContact O-N 3.26Å | ||
| 88 | S | 29 | Very low | 29.2 | Very low | 110 Ų | 110 | 132.9 Ų | 132.9 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | -56.1 | 117.4 | 161.5 | 172.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 89 | V | 25 | Very low | 30 | Very low | 120 Ų | 120 | 127.6 Ų | 127.6 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | -128.2 | 88.2 | 160.8 | -179.1 | 0 | 0 | 0 | 0 | 107.8 | S87 G91 | S87-V89 PolarHBondContact O-N 3.26Å; V89-G91 PolarHBondContact O-N 3.4Å | ||
| 90 | T | 29.4 | Very low | 30.7 | Very low | 132 Ų | 132 | 128.5 Ų | 128.5 | 81% | 0.81 | 74% | 0.737 | S | S | * | * | trans | -53.8 | 117.3 | 147.3 | 41.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 91 | G | 24.8 | Very low | 31.4 | Very low | 58 Ų | 58 | 128 Ų | 128 | 60% | 0.598 | 74% | 0.735 | S | S | * | * | trans | 156.2 | 103.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | V89 | V89-G91 PolarHBondContact O-N 3.4Š| ||
| 92 | R | 32 | Very low | 32.1 | Very low | 244 Ų | 244 | 125.2 Ų | 125.2 | 92% | 0.921 | 73% | 0.726 | S | S | * | * | trans | 43.2 | 103.4 | 144.2 | -60.8 | 177.3 | -177.2 | 148.7 | 0.5 | 117.6 | ||||
| 93 | I | 27.5 | Very low | 33.3 | Very low | 164 Ų | 164 | 124.9 Ų | 124.9 | 84% | 0.841 | 71% | 0.711 | S | S | * | * | trans | -134.4 | 98.3 | 136.8 | -59.1 | -172.6 | 0 | 0 | 0 | 108.2 | G95 | I93-G95 PolarHBondContact O-N 2.83Å; I93-G95 VanDerWaalsContact O-N 3.14Å | ||
| 94 | L | 33.9 | Very low | 34.3 | Very low | 176 Ų | 176 | 119.8 Ų | 119.8 | 92% | 0.921 | 70% | 0.695 | S | S | * | * | trans | -67.2 | 93.3 | 149.2 | -87 | 160.8 | 0 | 0 | 0 | 105.5 | ||||
| 95 | G | 26.9 | Very low | 35.3 | Very low | 55 Ų | 55 | 116.8 Ų | 116.8 | 57% | 0.567 | 68% | 0.68 | S | S | * | * | trans | -95.8 | 101.6 | 171 | 0 | 0 | 0 | 0 | 0 | 107.4 | I93 V97 | I93-G95 PolarHBondContact O-N 2.83Å; I93-G95 VanDerWaalsContact O-N 3.14Å; G95-V97 PolarHBondContact O-N 2.78Å | ||
| 96 | D | 34.9 | Very low | 36.6 | Very low | 148 Ų | 148 | 115.3 Ų | 115.3 | 79% | 0.791 | 67% | 0.668 | S | S | * | * | trans | -46 | 125.4 | 164.3 | -71.3 | -52.1 | 0 | 0 | 0 | 108.6 | N98 | D96-N98 PolarHBondContact O-N 3.22Š| ||
| 97 | V | 39.6 | Very low | 37.9 | Very low | 77 Ų | 77 | 112 Ų | 112 | 47% | 0.467 | 64% | 0.64 | S | S | . | * | trans | -64.4 | 95 | 165.9 | 179.2 | 0 | 0 | 0 | 0 | 105.2 | G95 L99 | G95-V97 PolarHBondContact O-N 2.78Å; V97-L99 HydrophobicContact CG1-CD2 4.49Å; V97-L99 PolarHBondContact O-N 3.3Å | ||
| 98 | N | 38 | Very low | 39.1 | Very low | 154 Ų | 154 | 114.2 Ų | 114.2 | 82% | 0.824 | 64% | 0.637 | S | S | * | * | trans | -71 | 85.1 | -178.6 | -156.5 | 9.3 | 0 | 0 | 0 | 107.3 | D96 N100 | D96-N98 PolarHBondContact O-N 3.22Å; N98-N100 PolarHBondContact O-N 3.19Å | ||
| 99 | L | 47.3 | Very low | 40.2 | Very low | 69 Ų | 69 | 111.9 Ų | 111.9 | 36% | 0.361 | 62% | 0.624 | S | S | . | * | trans | -63.4 | 126.2 | 163.6 | -65.4 | 173.2 | 0 | 0 | 0 | 106.1 | V97 L107 | V97-L99 HydrophobicContact CG1-CD2 4.49Å; V97-L99 PolarHBondContact O-N 3.3Å; L99-L107 HydrophobicContact CD1-CD1 4.34Å | ||
| 100 | N | 39.8 | Very low | 41.7 | Very low | 97 Ų | 97 | 114.4 Ų | 114.4 | 52% | 0.519 | 62% | 0.621 | S | S | . | * | trans | -51.7 | 146.2 | -179 | -157.4 | -12.3 | 0 | 0 | 0 | 110.1 | N98 D102 D103 K104 | N98-N100 PolarHBondContact O-N 3.19Å; N100-D102 PolarHBondContact O-N 2.97Å; N100-D102 VanDerWaalsContact O-N 3.11Å; N100-D103 HydrophobicContact CB-CB 4.43Å; N100-D103 PolarHBondContact O-N 2.82Å; N100-K104 PolarHBondContact O-N 3.35Å | ||
| 101 | L | 41.6 | Very low | 43.1 | Very low | 139 Ų | 139 | 108.9 Ų | 108.9 | 73% | 0.728 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -58.6 | -32 | -173.5 | -155.6 | 71.3 | 0 | 0 | 0 | 111.1 | A105 | L101-A105 WeakPolarHBondContact O-CB 3.36Å; L101-A105 PolarHBondContact O-N 3.48Å |
| 102 | D | 43.6 | Very low | 44.6 | Very low | 118 Ų | 118 | 111.4 Ų | 111.4 | 63% | 0.631 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -71.3 | -40.3 | 176.5 | -56.5 | -39.6 | 0 | 0 | 0 | 112.7 | N100 K104 A105 A106 | N100-D102 PolarHBondContact O-N 2.97Å; N100-D102 VanDerWaalsContact O-N 3.11Å; D102-K104 VanDerWaalsContact C-N 3.34Å; D102-A105 PolarHBondContact O-N 3.01Å; D102-A106 WeakPolarHBondContact O-CB 3.36Å; D102-A106 PolarHBondContact O-N 3.43Å |
| 103 | D | 50.8 | Low | 45.7 | Very low | 90 Ų | 90 | 107.5 Ų | 107.5 | 48% | 0.481 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.3 | -36.5 | 174.9 | -70.2 | -37.6 | 0 | 0 | 0 | 111.3 | N100 A105 A106 L107 | N100-D103 HydrophobicContact CB-CB 4.43Å; N100-D103 PolarHBondContact O-N 2.82Å; D103-A105 VanDerWaalsContact C-N 3.35Å; D103-A106 PolarHBondContact O-N 3.05Å; D103-L107 WeakPolarHBondContact O-CB 3.25Å; D103-L107 WeakPolarHBondContact O-CG 3.43Å; D103-L107 PolarHBondContact O-N 3.15Å |
| 104 | K | 51.4 | Low | 47.3 | Very low | 134 Ų | 134 | 101 Ų | 101 | 58% | 0.583 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67 | -38.1 | 175.5 | -168.3 | 174.6 | -176.4 | 175.5 | 0 | 111.3 | N100 D102 K108 | N100-K104 PolarHBondContact O-N 3.35Å; D102-K104 VanDerWaalsContact C-N 3.34Å; K104-K108 WeakPolarHBondContact O-CB 3.49Å; K104-K108 PolarHBondContact O-N 2.96Å |
| 105 | A | 49.8 | Very low | 48.6 | Very low | 56 Ų | 56 | 96.5 Ų | 96.5 | 46% | 0.463 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.1 | -42.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L101 D102 D103 K108 A109 | L101-A105 WeakPolarHBondContact O-CB 3.36Å; L101-A105 PolarHBondContact O-N 3.48Å; D102-A105 PolarHBondContact O-N 3.01Å; D103-A105 VanDerWaalsContact C-N 3.35Å; A105-K108 PolarHBondContact O-N 3.39Å; A105-A109 WeakPolarHBondContact O-CB 3.47Å; A105-A109 PolarHBondContact O-N 3.4Å |
| 106 | A | 51.6 | Low | 50.4 | Low | 52 Ų | 52 | 100.7 Ų | 100.7 | 43% | 0.43 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.2 | -42.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | D102 D103 K108 A109 R110 | D102-A106 WeakPolarHBondContact O-CB 3.36Å; D102-A106 PolarHBondContact O-N 3.43Å; D103-A106 PolarHBondContact O-N 3.05Å; A106-K108 VanDerWaalsContact C-N 3.34Å; A106-A109 PolarHBondContact O-N 3.5Å; A106-R110 PolarHBondContact O-N 3.2Å |
| 107 | L | 52.8 | Low | 51.8 | Low | 57 Ų | 57 | 97.2 Ų | 97.2 | 30% | 0.298 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.8 | -37.1 | 174 | -70.8 | 170.5 | 0 | 0 | 0 | 111.8 | L99 D103 G111 P296 | L99-L107 HydrophobicContact CD1-CD1 4.34Å; D103-L107 WeakPolarHBondContact O-CB 3.25Å; D103-L107 WeakPolarHBondContact O-CG 3.43Å; D103-L107 PolarHBondContact O-N 3.15Å; L107-G111 PolarHBondContact O-N 3.49Å; L107-P296 VanDerWaalsContact CD2-O 3.32Å; L107-P296 WeakPolarHBondContact CD2-O 3.38Å |
| 108 | K | 52.4 | Low | 53.2 | Low | 149 Ų | 149 | 93.7 Ų | 93.7 | 65% | 0.648 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -67.9 | -41.9 | 175.4 | -170 | 178.6 | -178 | -173.3 | 0 | 111.4 | K104 A105 A106 G111 L112 | K104-K108 WeakPolarHBondContact O-CB 3.49Å; K104-K108 PolarHBondContact O-N 2.96Å; A105-K108 PolarHBondContact O-N 3.39Å; A106-K108 VanDerWaalsContact C-N 3.34Å; K108-G111 PolarHBondContact O-N 2.74Å; K108-L112 HydrophobicContact CG-CD1 4.39Å; K108-L112 VanDerWaalsContact O-CG 3.22Å; K108-L112 WeakPolarHBondContact O-CG 3.48Å; K108-L112 PolarHBondContact O-N 3.42Å |
| 109 | A | 50.2 | Low | 54.6 | Low | 60 Ų | 60 | 94 Ų | 94 | 50% | 0.496 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.1 | -43.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A105 A106 L112 W113 | A105-A109 WeakPolarHBondContact O-CB 3.47Å; A105-A109 PolarHBondContact O-N 3.4Å; A106-A109 PolarHBondContact O-N 3.5Å; A109-L112 PolarHBondContact O-N 3.35Å; A109-W113 PolarHBondContact O-N 3.21Å; A109-W113 VanDerWaalsContact O-N 3.13Å |
| 110 | R | 57.7 | Low | 55.4 | Low | 174 Ų | 174 | 94 Ų | 94 | 66% | 0.657 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -61.9 | -44.6 | 172.1 | -78 | -178.6 | 156 | -163.2 | -6 | 112 | A106 L112 W113 E114 | A106-R110 PolarHBondContact O-N 3.2Å; R110-L112 VanDerWaalsContact C-N 3.29Å; R110-L112 PolarHBondContact O-N 3.29Å; R110-W113 PolarHBondContact O-N 2.97Å; R110-E114 WeakPolarHBondContact O-CB 3.41Å; R110-E114 VanDerWaalsContact O-CG 3.24Å; R110-E114 WeakPolarHBondContact O-CG 3.41Å; R110-E114 PolarHBondContact O-N 2.94Å |
| 111 | G | 58.3 | Low | 56.6 | Low | 16 Ų | 16 | 90.1 Ų | 90.1 | 17% | 0.165 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -58.9 | -37.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L107 K108 D115 | L107-G111 PolarHBondContact O-N 3.49Å; K108-G111 PolarHBondContact O-N 2.74Å; G111-D115 WeakPolarHBondContact O-CB 3.42Å; G111-D115 PolarHBondContact O-N 3.42Å |
| 112 | L | 57.3 | Low | 57.8 | Low | 110 Ų | 110 | 85.4 Ų | 85.4 | 58% | 0.576 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -70.1 | -39.4 | 177.6 | -72.1 | 169.5 | 0 | 0 | 0 | 113.1 | K108 A109 R110 W116 | K108-L112 HydrophobicContact CG-CD1 4.39Å; K108-L112 VanDerWaalsContact O-CG 3.22Å; K108-L112 WeakPolarHBondContact O-CG 3.48Å; K108-L112 PolarHBondContact O-N 3.42Å; A109-L112 PolarHBondContact O-N 3.35Å; R110-L112 VanDerWaalsContact C-N 3.29Å; R110-L112 PolarHBondContact O-N 3.29Å; L112-W116 WeakPolarHBondContact O-CB 3.45Å; L112-W116 PolarHBondContact O-N 2.91Å |
| 113 | W | 53.7 | Low | 58.7 | Low | 163 Ų | 163 | 85 Ų | 85 | 62% | 0.617 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -68.1 | -43.1 | 174.4 | 179.3 | 82.3 | 0 | 0 | 0 | 111.7 | A109 R110 W116 H117 | A109-W113 PolarHBondContact O-N 3.21Å; A109-W113 VanDerWaalsContact O-N 3.13Å; R110-W113 PolarHBondContact O-N 2.97Å; W113-W116 WeakPolarHBondContact O-CB 3.38Å; W113-W116 PolarHBondContact O-N 3.01Å; W113-H117 PolarHBondContact O-N 2.74Å; W113-H117 VanDerWaalsContact O-N 3.12Å |
| 114 | E | 61.5 | Low | 58.9 | Low | 26 Ų | 26 | 85.9 Ų | 85.9 | 12% | 0.121 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64.8 | -45 | 176.7 | -70.3 | 175.5 | -168.1 | 0 | 0 | 111.1 | R110 W116 H117 L118 L294 P296 | R110-E114 WeakPolarHBondContact O-CB 3.41Å; R110-E114 VanDerWaalsContact O-CG 3.24Å; R110-E114 WeakPolarHBondContact O-CG 3.41Å; R110-E114 PolarHBondContact O-N 2.94Å; E114-W116 VanDerWaalsContact C-N 3.29Å; E114-W116 PolarHBondContact O-N 3.01Å; E114-H117 PolarHBondContact O-N 3.46Å; E114-H117 VanDerWaalsContact O-N 3.13Å; E114-L118 VanDerWaalsContact O-CD1 3.3Å; E114-L118 WeakPolarHBondContact O-CD1 3.36Å; E114-L118 PolarHBondContact O-N 2.9Å; E114-L294 HydrophobicContact CB-CD1 4.09Å; E114-L294 HydrophobicContact CG-CD1 4.12Å; E114-L294 HydrophobicContact CG-CD2 4.06Å; E114-P296 WeakPolarHBondContact OE2-CB 3.49Å |
| 115 | D | 61.6 | Low | 58.9 | Low | 83 Ų | 83 | 83.9 Ų | 83.9 | 44% | 0.444 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.1 | -34.2 | 175.9 | -83.1 | -7.4 | 0 | 0 | 0 | 112.1 | G111 R119 | G111-D115 WeakPolarHBondContact O-CB 3.42Å; G111-D115 PolarHBondContact O-N 3.42Å; D115-R119 WeakPolarHBondContact O-CB 3.41Å; D115-R119 WeakPolarHBondContact O-CD 3.25Å; D115-R119 WeakPolarHBondContact O-CG 3.37Å; D115-R119 PolarHBondContact O-N 3.11Å |
| 116 | W | 64.7 | Low | 58.5 | Low | 142 Ų | 142 | 86.9 Ų | 86.9 | 54% | 0.538 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 171.8 | 177.9 | 90.6 | 0 | 0 | 0 | 111.4 | L112 W113 E114 L118 R119 Q120 | L112-W116 WeakPolarHBondContact O-CB 3.45Å; L112-W116 PolarHBondContact O-N 2.91Å; W113-W116 WeakPolarHBondContact O-CB 3.38Å; W113-W116 PolarHBondContact O-N 3.01Å; E114-W116 VanDerWaalsContact C-N 3.29Å; E114-W116 PolarHBondContact O-N 3.01Å; W116-L118 VanDerWaalsContact C-N 3.34Å; W116-L118 PolarHBondContact O-N 3.48Å; W116-R119 WeakPolarHBondContact O-CB 3.35Å; W116-R119 PolarHBondContact O-N 2.85Å; W116-Q120 HydrophobicContact CD2-CG 4.25Å; W116-Q120 HydrophobicContact CE3-CG 4.34Å; W116-Q120 HydrophobicContact CH2-CG 4.04Å; W116-Q120 HydrophobicContact CZ2-CG 3.95Å; W116-Q120 HydrophobicContact CZ3-CG 4.23Å; W116-Q120 WeakPolarHBondContact O-CG 3.46Å; W116-Q120 PolarHBondContact O-N 3.15Å |
| 117 | H | 63.9 | Low | 58.1 | Low | 75 Ų | 75 | 95.2 Ų | 95.2 | 35% | 0.347 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.1 | -36.8 | 179.8 | -161.1 | -160.3 | 0 | 0 | 0 | 112.1 | W113 E114 Q120 L121 | W113-H117 PolarHBondContact O-N 2.74Å; W113-H117 VanDerWaalsContact O-N 3.12Å; E114-H117 PolarHBondContact O-N 3.46Å; E114-H117 VanDerWaalsContact O-N 3.13Å; H117-Q120 PolarHBondContact O-N 2.83Å; H117-L121 PolarHBondContact O-N 3.07Å |
| 118 | L | 68.4 | Low | 57.5 | Low | 4 Ų | 4 | 95.2 Ų | 95.2 | 2% | 0.021 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -63.8 | -39.3 | 171.3 | -85.9 | 139.9 | 0 | 0 | 0 | 112.7 | E114 W116 L121 I122 A285 L288 R289 L292 L294 | E114-L118 VanDerWaalsContact O-CD1 3.3Å; E114-L118 WeakPolarHBondContact O-CD1 3.36Å; E114-L118 PolarHBondContact O-N 2.9Å; W116-L118 VanDerWaalsContact C-N 3.34Å; W116-L118 PolarHBondContact O-N 3.48Å; L118-L121 PolarHBondContact O-N 3.37Å; L118-I122 WeakPolarHBondContact O-CD1 3.28Å; L118-I122 VanDerWaalsContact O-CG1 3.22Å; L118-I122 WeakPolarHBondContact O-CG1 3.44Å; L118-I122 PolarHBondContact O-N 3.18Å; L118-I122 VanDerWaalsContact O-N 3.11Å; L118-A285 HydrophobicContact CD2-CB 3.94Å; L118-A285 WeakPolarHBondContact CD2-O 3.37Å; L118-L288 HydrophobicContact CD2-CB 3.54Å; L118-L288 HydrophobicContact CD2-CD1 4.14Å; L118-L288 HydrophobicContact CD2-CG 4.49Å; L118-R289 HydrophobicContact CD1-CG 4.05Å; L118-L292 HydrophobicContact CG-CD1 4.43Å; L118-L294 HydrophobicContact CD1-CD1 4.04Å |
| 119 | R | 67.6 | Low | 56.9 | Low | 161 Ų | 161 | 95.5 Ų | 95.5 | 61% | 0.608 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -62.5 | -43.6 | 174.1 | -77.4 | 161.6 | 165 | -91.6 | 2.1 | 111.7 | D115 W116 L121 I122 D123 | D115-R119 WeakPolarHBondContact O-CB 3.41Å; D115-R119 WeakPolarHBondContact O-CD 3.25Å; D115-R119 WeakPolarHBondContact O-CG 3.37Å; D115-R119 PolarHBondContact O-N 3.11Å; W116-R119 WeakPolarHBondContact O-CB 3.35Å; W116-R119 PolarHBondContact O-N 2.85Å; R119-L121 VanDerWaalsContact C-N 3.28Å; R119-L121 PolarHBondContact O-N 2.82Å; R119-I122 PolarHBondContact O-N 2.93Å; R119-I122 VanDerWaalsContact O-N 3.09Å; R119-D123 WeakPolarHBondContact O-CB 3.28Å; R119-D123 PolarHBondContact O-N 3.15Å |
| 120 | Q | 64.6 | Low | 56.4 | Low | 69 Ų | 69 | 101.2 Ų | 101.2 | 32% | 0.322 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58.4 | -40.1 | 175.5 | -64.8 | -57.9 | -29.1 | 0 | 0 | 112.4 | W116 H117 I122 H124 | W116-Q120 HydrophobicContact CD2-CG 4.25Å; W116-Q120 HydrophobicContact CE3-CG 4.34Å; W116-Q120 HydrophobicContact CH2-CG 4.04Å; W116-Q120 HydrophobicContact CZ2-CG 3.95Å; W116-Q120 HydrophobicContact CZ3-CG 4.23Å; W116-Q120 WeakPolarHBondContact O-CG 3.46Å; W116-Q120 PolarHBondContact O-N 3.15Å; H117-Q120 PolarHBondContact O-N 2.83Å; Q120-I122 VanDerWaalsContact C-N 3.33Å; Q120-I122 PolarHBondContact O-N 3.06Å; Q120-H124 WeakPolarHBondContact O-CB 3.36Å; Q120-H124 PolarHBondContact O-N 3.37Å |
| 121 | L | 66 | Low | 55.2 | Low | 14 Ų | 14 | 99.6 Ų | 99.6 | 7% | 0.073 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -69.2 | -29.4 | 177 | -74.3 | 163.8 | 0 | 0 | 0 | 113.6 | H117 L118 R119 T128 L288 L292 | H117-L121 PolarHBondContact O-N 3.07Å; L118-L121 PolarHBondContact O-N 3.37Å; R119-L121 VanDerWaalsContact C-N 3.28Å; R119-L121 PolarHBondContact O-N 2.82Å; L121-T128 HydrophobicContact CD2-CG2 3.54Å; L121-L288 HydrophobicContact CB-CD1 3.94Å; L121-L288 HydrophobicContact CD1-CD1 4.4Å; L121-L292 HydrophobicContact CD1-CD1 3.81Å; L121-L292 HydrophobicContact CD1-CD2 4.39Å |
| 122 | I | 66.9 | Low | 54 | Low | 41 Ų | 41 | 104.8 Ų | 104.8 | 21% | 0.21 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -82 | -37.9 | 179.9 | -67.5 | 163 | 0 | 0 | 0 | 111 | L118 R119 Q120 A281 L284 A285 L288 | L118-I122 WeakPolarHBondContact O-CD1 3.28Å; L118-I122 VanDerWaalsContact O-CG1 3.22Å; L118-I122 WeakPolarHBondContact O-CG1 3.44Å; L118-I122 PolarHBondContact O-N 3.18Å; L118-I122 VanDerWaalsContact O-N 3.11Å; R119-I122 PolarHBondContact O-N 2.93Å; R119-I122 VanDerWaalsContact O-N 3.09Å; Q120-I122 VanDerWaalsContact C-N 3.33Å; Q120-I122 PolarHBondContact O-N 3.06Å; I122-A281 HydrophobicContact CG2-CB 4.14Å; I122-L284 HydrophobicContact CG1-CD2 4.33Å; I122-A285 HydrophobicContact CD1-CB 3.67Å; I122-L288 HydrophobicContact CG1-CD1 4.24Å |
| 123 | D | 62.3 | Low | 52.6 | Low | 108 Ų | 108 | 103.2 Ų | 103.2 | 58% | 0.578 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -86.8 | -23 | -176 | -68.3 | -32.5 | 0 | 0 | 0 | 113.1 | R119 | R119-D123 WeakPolarHBondContact O-CB 3.28Å; R119-D123 PolarHBondContact O-N 3.15Å |
| 124 | H | 54.4 | Low | 51.5 | Low | 110 Ų | 110 | 102.8 Ų | 102.8 | 51% | 0.509 | 55% | 0.548 | S | S | . | . | trans | -127.6 | 71.6 | 178.6 | -64.2 | -58.3 | 0 | 0 | 0 | 113.1 | Q120 S126 | Q120-H124 WeakPolarHBondContact O-CB 3.36Å; Q120-H124 PolarHBondContact O-N 3.37Å; H124-S126 PolarHBondContact O-N 3.44Å | ||
| 125 | P | 50.6 | Low | 49.9 | Very low | 92 Ų | 92 | 106.1 Ų | 106.1 | 60% | 0.597 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -9.6 | 178.5 | 25 | -33 | 0 | 0 | 0 | 114.4 | ||
| 126 | S | 41.3 | Very low | 48.3 | Very low | 118 Ų | 118 | 110.6 Ų | 110.6 | 83% | 0.825 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.6 | 6.8 | -170.6 | -46.1 | 0 | 0 | 0 | 0 | 115.6 | H124 | H124-S126 PolarHBondContact O-N 3.44Š|
| 127 | R | 43.3 | Very low | 46.7 | Very low | 228 Ų | 228 | 108.2 Ų | 108.2 | 86% | 0.86 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -128.2 | 3.3 | -174.5 | -98.1 | -171.8 | 178.2 | -160.6 | 0 | 117.3 | N129 | R127-N129 PolarHBondContact O-N 3.2Š|
| 128 | T | 41.1 | Very low | 44.9 | Very low | 56 Ų | 56 | 110.6 Ų | 110.6 | 34% | 0.344 | 64% | 0.639 | S | S | . | * | trans | -91.1 | 11.4 | -174.2 | 61.3 | 0 | 0 | 0 | 0 | 115.9 | L121 H130 | L121-T128 HydrophobicContact CD2-CG2 3.54Å; T128-H130 PolarHBondContact O-N 3.2Å | ||
| 129 | N | 40 | Very low | 43.1 | Very low | 155 Ų | 155 | 122 Ų | 122 | 83% | 0.829 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -81.9 | 67.5 | 165.4 | -73.4 | -9.1 | 0 | 0 | 0 | 109.7 | R127 | R127-N129 PolarHBondContact O-N 3.2Š|
| 130 | H | 39.6 | Very low | 41.3 | Very low | 181 Ų | 181 | 121.1 Ų | 121.1 | 84% | 0.838 | 69% | 0.694 | S | S | * | * | trans | 165 | 79.5 | 154 | -100.6 | -79.5 | 0 | 0 | 0 | 109.7 | T128 | T128-H130 PolarHBondContact O-N 3.2Š| ||
| 131 | V | 32 | Very low | 39.5 | Very low | 139 Ų | 139 | 121.2 Ų | 121.2 | 84% | 0.842 | 71% | 0.713 | S | S | * | * | trans | -142.2 | 83.5 | 151.9 | -172.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 132 | S | 32.8 | Very low | 37.8 | Very low | 126 Ų | 126 | 128 Ų | 128 | 88% | 0.881 | 75% | 0.75 | S | S | * | * | trans | -139.8 | 117.4 | 152.6 | -76.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 133 | G | 27.7 | Very low | 36 | Very low | 76 Ų | 76 | 134.5 Ų | 134.5 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | trans | 137.7 | 80 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 134 | V | 32.2 | Very low | 34.2 | Very low | 155 Ų | 155 | 134.6 Ų | 134.6 | 94% | 0.939 | 79% | 0.794 | S | S | * | * | trans | -73.2 | 122.1 | 146.2 | 172.5 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 135 | A | 27.3 | Very low | 33 | Very low | 96 Ų | 96 | 135.5 Ų | 135.5 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | trans | -146.7 | 146.1 | 160.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 136 | L | 28.5 | Very low | 31.9 | Very low | 176 Ų | 176 | 136.1 Ų | 136.1 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | trans | -71.3 | 165.7 | -163.4 | -72.7 | 144.8 | 0 | 0 | 0 | 114.3 | ||||
| 137 | A | 29.4 | Very low | 31.3 | Very low | 92 Ų | 92 | 140 Ų | 140 | 76% | 0.76 | 82% | 0.818 | S | S | * | * | trans | -41.8 | 145.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 138 | S | 27.4 | Very low | 30.5 | Very low | 126 Ų | 126 | 136.2 Ų | 136.2 | 88% | 0.881 | 81% | 0.814 | S | S | * | * | trans | -162.2 | 133.1 | 130.2 | -81.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 139 | R | 30 | Very low | 29.8 | Very low | 243 Ų | 243 | 141.3 Ų | 141.3 | 92% | 0.917 | 84% | 0.837 | S | S | * | * | trans | -65.7 | 143.8 | 173.6 | -84.9 | 168.6 | 149.2 | -173.9 | -6.3 | 112 | ||||
| 140 | T | 30.8 | Very low | 29.2 | Very low | 143 Ų | 143 | 139.9 Ų | 139.9 | 88% | 0.877 | 83% | 0.834 | S | S | * | * | -157.6 | 114.6 | 128.7 | 41.1 | 0 | 0 | 0 | 0 | 106.8 | |||||
| 141 | G | 26.7 | Very low | 29.2 | Very low | 70 Ų | 70 | 136.7 Ų | 136.7 | 72% | 0.722 | 83% | 0.83 | S | S | * | * | 66 | 124.3 | 109.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 142 | N | 28.8 | Very low | 28.8 | Very low | 158 Ų | 158 | 137 Ų | 137 | 85% | 0.845 | 83% | 0.832 | S | S | * | * | cis | -161.4 | 144.8 | 16.5 | -89.8 | -24.5 | 0 | 0 | 0 | 106.7 | ||||
| 143 | L | 29.2 | Very low | 28.6 | Very low | 176 Ų | 176 | 137.1 Ų | 137.1 | 92% | 0.921 | 83% | 0.828 | S | S | * | * | trans | -162.7 | 116.4 | 132.1 | -132.7 | 75.8 | 0 | 0 | 0 | 109.2 | ||||
| 144 | S | 25.4 | Very low | 29 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 78% | 0.776 | 82% | 0.823 | S | S | * | * | trans | -75.7 | 141.4 | 172.7 | -78.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 145 | T | 28 | Very low | 28.6 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | -177.3 | 104.5 | 117.9 | 23.5 | 0 | 0 | 0 | 0 | 106.8 | |||||
| 146 | S | 28.4 | Very low | 28.5 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 74% | 0.741 | 81% | 0.814 | S | S | * | * | 61.5 | 103.2 | 108.1 | -38.8 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 147 | E | 28.2 | Very low | 28.3 | Very low | 198 Ų | 198 | 134.6 Ų | 134.6 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | -149.9 | 152.6 | 80.8 | -85.9 | -178.1 | 152.1 | 0 | 0 | 114.8 | |||||
| 148 | I | 27.5 | Very low | 28.2 | Very low | 150 Ų | 150 | 134.3 Ų | 134.3 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -86 | 141.1 | -176.2 | -63.5 | 157.8 | 0 | 0 | 0 | 107.1 | ||||
| 149 | I | 26.9 | Very low | 28.2 | Very low | 162 Ų | 162 | 136.2 Ų | 136.2 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | -161.4 | 147 | 91.4 | -75.8 | 157.3 | 0 | 0 | 0 | 110.3 | |||||
| 150 | T | 25.7 | Very low | 28.1 | Very low | 126 Ų | 126 | 129 Ų | 129 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | -81.7 | 176 | -166.4 | 32.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 151 | P | 39.8 | Very low | 28 | Very low | 113 Ų | 113 | 132.6 Ų | 132.6 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | -107.9 | 168.8 | -155.6 | 41.1 | -32.3 | 0 | 0 | 0 | 114.3 | ||||
| 152 | T | 23.6 | Very low | 28.1 | Very low | 145 Ų | 145 | 137 Ų | 137 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | trans | -159.7 | 131.4 | 151.4 | 34.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 153 | T | 28.5 | Very low | 27.9 | Very low | 130 Ų | 130 | 133.2 Ų | 133.2 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | trans | -96.3 | -179.7 | 148.4 | 56.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 154 | P | 37.6 | Very low | 27.7 | Very low | 105 Ų | 105 | 128.8 Ų | 128.8 | 68% | 0.682 | 78% | 0.779 | S | S | * | * | cis | -139.8 | -179.1 | -6.6 | 32.8 | -8.8 | 0 | 0 | 0 | 115.9 | ||||
| 155 | T | 24 | Very low | 27.8 | Very low | 130 Ų | 130 | 128.1 Ų | 128.1 | 80% | 0.798 | 78% | 0.78 | S | S | * | * | trans | 67.2 | 144 | 145.5 | 41.6 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 156 | S | 23.9 | Very low | 28.3 | Very low | 107 Ų | 107 | 128 Ų | 128 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | 104 | 111.5 | 152.5 | 78.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 157 | S | 24.2 | Very low | 28.4 | Very low | 108 Ų | 108 | 129 Ų | 129 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | 61.3 | 141.7 | 108.6 | 72.6 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 158 | S | 27.3 | Very low | 29.3 | Very low | 86 Ų | 86 | 124.2 Ų | 124.2 | 60% | 0.601 | 77% | 0.77 | S | S | * | * | cis | -177.2 | 146.7 | 10.9 | 26.1 | 0 | 0 | 0 | 0 | 106 | ||||
| 159 | H | 27.6 | Very low | 29.2 | Very low | 166 Ų | 166 | 126 Ų | 126 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | 173 | 117.2 | 100 | -93 | -77.6 | 0 | 0 | 0 | 108.2 | |||||
| 160 | S | 28.2 | Very low | 29.1 | Very low | 92 Ų | 92 | 125.4 Ų | 125.4 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | 80.3 | 110.7 | 88.4 | -49.6 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 161 | R | 28.8 | Very low | 29.2 | Very low | 217 Ų | 217 | 126.1 Ų | 126.1 | 82% | 0.819 | 77% | 0.769 | S | S | * | * | 164.4 | 128.6 | 102.2 | -86.7 | -175.8 | -150.5 | -107.8 | 0.8 | 114.7 | |||||
| 162 | L | 28.8 | Very low | 28.5 | Very low | 163 Ų | 163 | 126.3 Ų | 126.3 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | 61.5 | 135 | 134.1 | -53.1 | 169.4 | 0 | 0 | 0 | 119.6 | ||||
| 163 | G | 24.5 | Very low | 28.6 | Very low | 78 Ų | 78 | 122.9 Ų | 122.9 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | cis | 154.1 | 149.3 | 4.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 164 | G | 25.3 | Very low | 28.6 | Very low | 84 Ų | 84 | 125.2 Ų | 125.2 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | trans | 122 | 108.2 | 154.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 165 | A | 27.2 | Very low | 28.1 | Very low | 97 Ų | 97 | 124.9 Ų | 124.9 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | trans | -87.5 | 171.2 | 148.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 166 | P | 37.3 | Very low | 28.2 | Very low | 124 Ų | 124 | 122.3 Ų | 122.3 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | cis | -150.7 | -177.4 | 47.9 | 36.5 | -11.4 | 0 | 0 | 0 | 117.1 | ||||
| 167 | T | 30.9 | Very low | 28.5 | Very low | 128 Ų | 128 | 121.8 Ų | 121.8 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -71.6 | -176.9 | 161.1 | 48.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 168 | P | 47.7 | Very low | 28.7 | Very low | 98 Ų | 98 | 125.6 Ų | 125.6 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | cis | -138.6 | -171.9 | 6.1 | 39.5 | -17.7 | 0 | 0 | 0 | 114.8 | ||||
| 169 | H | 25.7 | Very low | 28.6 | Very low | 187 Ų | 187 | 124.7 Ų | 124.7 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | trans | 172.2 | 160.1 | 130.7 | -93.3 | -70.8 | 0 | 0 | 0 | 114.7 | ||||
| 170 | L | 24.8 | Very low | 28.7 | Very low | 150 Ų | 150 | 125.2 Ų | 125.2 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -116.2 | 156.2 | -159.5 | -101.5 | 162.7 | 0 | 0 | 0 | 111.7 | ||||
| 171 | I | 27.1 | Very low | 28.6 | Very low | 140 Ų | 140 | 128.9 Ų | 128.9 | 72% | 0.718 | 80% | 0.799 | S | S | * | * | trans | 86.6 | 115 | 142.5 | -66.1 | 162.8 | 0 | 0 | 0 | 121.9 | ||||
| 172 | S | 26.3 | Very low | 29.3 | Very low | 118 Ų | 118 | 124.2 Ų | 124.2 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | 53.6 | 138.5 | 129.6 | -56.1 | 0 | 0 | 0 | 0 | 127.8 | |||||
| 173 | G | 25.4 | Very low | 29.1 | Very low | 73 Ų | 73 | 120.3 Ų | 120.3 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | 96.8 | 147.7 | 137 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 174 | L | 29.1 | Very low | 29.4 | Very low | 179 Ų | 179 | 126.2 Ų | 126.2 | 94% | 0.937 | 80% | 0.8 | S | S | * | * | cis | -174 | 156.4 | 0.4 | -104 | 171.1 | 0 | 0 | 0 | 108 | ||||
| 175 | A | 26.1 | Very low | 29.5 | Very low | 98 Ų | 98 | 129.4 Ų | 129.4 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | 150.7 | 116.1 | 149.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 176 | G | 25.9 | Very low | 29.5 | Very low | 76 Ų | 76 | 133 Ų | 133 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | 97.7 | 133.6 | 71.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 177 | S | 29.8 | Very low | 29 | Very low | 96 Ų | 96 | 131 Ų | 131 | 67% | 0.671 | 81% | 0.81 | S | S | * | * | cis | -179.4 | 167.2 | 16.1 | 36.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 178 | H | 29.4 | Very low | 28.7 | Very low | 187 Ų | 187 | 128.5 Ų | 128.5 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | trans | 78.7 | 137.5 | 166.5 | -50.8 | -73.6 | 0 | 0 | 0 | 117.8 | ||||
| 179 | G | 25.7 | Very low | 27.6 | Very low | 68 Ų | 68 | 133.5 Ų | 133.5 | 70% | 0.701 | 82% | 0.822 | S | S | * | * | cis | 153.2 | 126.1 | 0.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 180 | I | 29.3 | Very low | 27.8 | Very low | 176 Ų | 176 | 130.9 Ų | 130.9 | 90% | 0.903 | 82% | 0.818 | S | S | * | * | trans | 80.9 | 120.9 | 148.6 | -52.6 | 179.5 | 0 | 0 | 0 | 120.5 | ||||
| 181 | E | 26.5 | Very low | 27.9 | Very low | 169 Ų | 169 | 126.9 Ų | 126.9 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | -67.8 | -162.6 | 165.3 | -75.1 | -90.4 | 128.9 | 0 | 0 | 113.5 | ||||
| 182 | P | 42.5 | Very low | 27.9 | Very low | 119 Ų | 119 | 128 Ų | 128 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | cis | -136 | -176.3 | -18 | 17.6 | 9 | 0 | 0 | 0 | 113.6 | ||||
| 183 | G | 25.6 | Very low | 28.1 | Very low | 81 Ų | 81 | 130.2 Ų | 130.2 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | trans | 176.1 | 102.7 | 155.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 184 | K | 29.9 | Very low | 28.1 | Very low | 203 Ų | 203 | 130.1 Ų | 130.1 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | trans | -81.1 | 153.5 | 170.6 | -71 | 168.3 | 172.4 | 171.7 | 0 | 111.6 | ||||
| 185 | T | 28.1 | Very low | 28.6 | Very low | 150 Ų | 150 | 127.7 Ų | 127.7 | 92% | 0.92 | 82% | 0.816 | S | S | * | * | -171.5 | 151.3 | 129.4 | 42.3 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 186 | N | 26.1 | Very low | 29.1 | Very low | 173 Ų | 173 | 128.5 Ų | 128.5 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | trans | -80.7 | 171.3 | -175.2 | -61.1 | -43.6 | 0 | 0 | 0 | 115.1 | ||||
| 187 | G | 27.5 | Very low | 29.2 | Very low | 82 Ų | 82 | 130.4 Ų | 130.4 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | 136.8 | 130.9 | 146.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 188 | G | 23.8 | Very low | 29.1 | Very low | 75 Ų | 75 | 136.2 Ų | 136.2 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | trans | -127.3 | -164.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 189 | F | 25.2 | Very low | 29.1 | Very low | 203 Ų | 203 | 136.4 Ų | 136.4 | 89% | 0.89 | 83% | 0.826 | S | S | * | * | trans | 73.3 | 141.9 | 175.8 | -107.2 | -83.7 | 0 | 0 | 0 | 115.8 | ||||
| 190 | V | 29.6 | Very low | 29.1 | Very low | 132 Ų | 132 | 140.5 Ų | 140.5 | 80% | 0.8 | 83% | 0.832 | S | S | * | * | cis | -150.6 | 138.6 | 15.5 | -164.7 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 191 | G | 26.1 | Very low | 29 | Very low | 67 Ų | 67 | 143.6 Ų | 143.6 | 69% | 0.691 | 83% | 0.832 | S | S | * | * | 131.1 | 133.6 | 95.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 192 | L | 29.1 | Very low | 29 | Very low | 164 Ų | 164 | 138.9 Ų | 138.9 | 86% | 0.859 | 83% | 0.83 | S | S | * | * | trans | 95.2 | 113.4 | 153.2 | -65.2 | 167.9 | 0 | 0 | 0 | 122.1 | ||||
| 193 | L | 29.4 | Very low | 28.3 | Very low | 163 Ų | 163 | 145.3 Ų | 145.3 | 85% | 0.853 | 84% | 0.838 | S | S | * | * | trans | 70.6 | 107.5 | 144.6 | -71.3 | 149.7 | 0 | 0 | 0 | 119.4 | ||||
| 194 | G | 26.3 | Very low | 28.4 | Very low | 72 Ų | 72 | 150.9 Ų | 150.9 | 74% | 0.742 | 84% | 0.839 | S | S | * | * | trans | -86.2 | -157.6 | 171 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 195 | P | 38.1 | Very low | 28.2 | Very low | 127 Ų | 127 | 151.4 Ų | 151.4 | 83% | 0.825 | 84% | 0.842 | S | S | * | * | cis | -132.4 | -159 | -18.1 | 38.9 | -18 | 0 | 0 | 0 | 111.7 | ||||
| 196 | P | 37.3 | Very low | 28.2 | Very low | 115 Ų | 115 | 152 Ų | 152 | 75% | 0.747 | 84% | 0.838 | S | S | * | * | -117.8 | 170 | -84.4 | 37.4 | -20.9 | 0 | 0 | 0 | 115 | |||||
| 197 | P | 27.5 | Very low | 28.2 | Very low | 116 Ų | 116 | 153.1 Ų | 153.1 | 75% | 0.753 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 156.5 | -179.1 | 35.6 | -32.9 | 0 | 0 | 0 | 113.9 | Q199 | P197-Q199 PolarHBondContact O-N 2.98Š|
| 198 | K | 28 | Very low | 28.1 | Very low | 218 Ų | 218 | 153.5 Ų | 153.5 | 95% | 0.948 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 121.8 | 172.2 | -65.8 | 172.2 | 179.6 | 173.8 | 0 | 109.8 | ||
| 199 | Q | 28.8 | Very low | 28.2 | Very low | 191 Ų | 191 | 158.6 Ų | 158.6 | 89% | 0.893 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 135.8 | 174.4 | -108.2 | -174.9 | 2.4 | 0 | 0 | 113.1 | P197 | P197-Q199 PolarHBondContact O-N 2.98Š|
| 200 | D | 26.4 | Very low | 28.3 | Very low | 155 Ų | 155 | 157 Ų | 157 | 83% | 0.829 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 149.9 | -179.4 | -173.9 | 22.3 | 0 | 0 | 0 | 113.2 | G202 | D200-G202 PolarHBondContact O-N 3.06Å; D200-G202 VanDerWaalsContact O-N 3.1Å |
| 201 | R | 28.2 | Very low | 28.1 | Very low | 240 Ų | 240 | 153.9 Ų | 153.9 | 91% | 0.906 | 83% | 0.828 | S | S | * | * | trans | -80.6 | 87.8 | -176.1 | -78 | 177.9 | 170.2 | 164.9 | -2.1 | 110.5 | R203 | R201-R203 PolarHBondContact O-N 2.92Š| ||
| 202 | G | 25.5 | Very low | 28.2 | Very low | 71 Ų | 71 | 155.9 Ų | 155.9 | 73% | 0.732 | 83% | 0.832 | S | S | * | * | trans | -76.9 | 104.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D200 K204 | D200-G202 PolarHBondContact O-N 3.06Å; D200-G202 VanDerWaalsContact O-N 3.1Å; G202-K204 PolarHBondContact O-N 3.01Å | ||
| 203 | R | 28.5 | Very low | 28 | Very low | 253 Ų | 253 | 153.4 Ų | 153.4 | 96% | 0.955 | 83% | 0.828 | S | S | * | * | trans | -66.8 | 103.4 | 171.5 | -172.8 | 179.1 | -170.7 | 172.1 | 1.9 | 110.4 | R201 | R201-R203 PolarHBondContact O-N 2.92Š| ||
| 204 | K | 27.6 | Very low | 27.9 | Very low | 198 Ų | 198 | 152.9 Ų | 152.9 | 86% | 0.861 | 83% | 0.825 | S | S | * | * | trans | -110.8 | 131.4 | 165.9 | -74.6 | -176.5 | -179.1 | 176.9 | 0 | 111.1 | G202 | G202-K204 PolarHBondContact O-N 3.01Š| ||
| 205 | K | 25.2 | Very low | 27.8 | Very low | 215 Ų | 215 | 157 Ų | 157 | 94% | 0.935 | 83% | 0.83 | S | S | * | * | trans | -78.9 | 119.3 | -173.2 | -158.7 | 172.9 | -174.7 | 178.8 | 0 | 108.4 | ||||
| 206 | I | 28.8 | Very low | 27.2 | Very low | 162 Ų | 162 | 156.8 Ų | 156.8 | 83% | 0.831 | 83% | 0.826 | S | S | * | * | trans | -117.6 | 127.2 | 170.5 | -53.2 | 177.5 | 0 | 0 | 0 | 108.6 | ||||
| 207 | K | 25.1 | Very low | 26.5 | Very low | 196 Ų | 196 | 156.5 Ų | 156.5 | 85% | 0.852 | 82% | 0.822 | S | S | * | * | trans | -70.2 | 116.7 | -176.7 | -163.4 | 173.9 | -179 | -177.7 | 0 | 108.5 | ||||
| 208 | A | 25.7 | Very low | 26.8 | Very low | 90 Ų | 90 | 156.1 Ų | 156.1 | 74% | 0.744 | 82% | 0.819 | S | S | * | * | trans | -85.6 | 115.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 209 | E | 25.1 | Very low | 26.6 | Very low | 183 Ų | 183 | 153.8 Ų | 153.8 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | trans | -74.3 | 140.4 | 170.6 | -64.2 | -168.3 | 141.7 | 0 | 0 | 110.4 | G211 | E209-G211 PolarHBondContact O-N 3.5Š| ||
| 210 | N | 28.4 | Very low | 26.7 | Very low | 169 Ų | 169 | 150 Ų | 150 | 90% | 0.904 | 80% | 0.798 | S | S | * | * | trans | -69.8 | 92.8 | -174.5 | -64.1 | -21.1 | 0 | 0 | 0 | 111 | ||||
| 211 | G | 26.1 | Very low | 26.8 | Very low | 66 Ų | 66 | 150.4 Ų | 150.4 | 68% | 0.68 | 80% | 0.798 | S | S | * | * | trans | -85.6 | 104.3 | 168 | 0 | 0 | 0 | 0 | 0 | 111.3 | E209 S213 | E209-G211 PolarHBondContact O-N 3.5Å; G211-S213 PolarHBondContact O-N 3.34Å; G211-S213 VanDerWaalsContact O-N 3.14Å | ||
| 212 | S | 26.3 | Very low | 27 | Very low | 110 Ų | 110 | 147.2 Ų | 147.2 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -54.9 | 109.4 | 169.8 | 20.8 | 0 | 0 | 0 | 0 | 111.2 | L214 | S212-L214 PolarHBondContact O-N 2.91Š| ||
| 213 | S | 26.5 | Very low | 27.1 | Very low | 111 Ų | 111 | 148.4 Ų | 148.4 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -72.8 | 92.2 | 170.8 | -69.4 | 0 | 0 | 0 | 0 | 110 | G211 L215 | G211-S213 PolarHBondContact O-N 3.34Å; G211-S213 VanDerWaalsContact O-N 3.14Å; S213-L215 PolarHBondContact O-N 2.92Å; S213-L215 VanDerWaalsContact O-N 3.15Å | ||
| 214 | L | 25.8 | Very low | 27.4 | Very low | 152 Ų | 152 | 142.6 Ų | 142.6 | 80% | 0.796 | 80% | 0.799 | S | S | * | * | trans | -65.4 | 106.1 | 159.1 | -70.8 | 173.4 | 0 | 0 | 0 | 107.4 | S212 V216 | S212-L214 PolarHBondContact O-N 2.91Å; L214-V216 PolarHBondContact O-N 3.18Å | ||
| 215 | L | 26 | Very low | 27.6 | Very low | 160 Ų | 160 | 136.5 Ų | 136.5 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | -64.9 | 86.7 | 166.4 | -68.3 | 170 | 0 | 0 | 0 | 108.1 | S213 V217 | S213-L215 PolarHBondContact O-N 2.92Å; S213-L215 VanDerWaalsContact O-N 3.15Å; L215-V217 PolarHBondContact O-N 3.44Å; L215-V217 VanDerWaalsContact O-N 3.16Å | ||
| 216 | V | 24.2 | Very low | 28.2 | Very low | 121 Ų | 121 | 134 Ų | 134 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | -70 | 102.6 | 159.2 | 178.9 | 0 | 0 | 0 | 0 | 105.3 | L214 P218 | L214-V216 PolarHBondContact O-N 3.18Å; V216-P218 WeakPolarHBondContact O-CD 3.35Å | ||
| 217 | V | 23.7 | Very low | 28.3 | Very low | 110 Ų | 110 | 133.8 Ų | 133.8 | 67% | 0.667 | 79% | 0.79 | S | S | * | * | trans | -72.3 | 113.1 | 165.9 | 178.4 | 0 | 0 | 0 | 0 | 106.5 | L215 Y219 | L215-V217 PolarHBondContact O-N 3.44Å; L215-V217 VanDerWaalsContact O-N 3.16Å; V217-Y219 PolarHBondContact O-N 3.06Å | ||
| 218 | P | 32.6 | Very low | 29.2 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 70% | 0.695 | 79% | 0.79 | S | S | * | * | trans | -75.2 | 114.9 | 168.5 | -6 | 25.4 | 0 | 0 | 0 | 107.1 | V216 | V216-P218 WeakPolarHBondContact O-CD 3.35Š| ||
| 219 | Y | 24 | Very low | 29.7 | Very low | 169 Ų | 169 | 134 Ų | 134 | 66% | 0.663 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 135.8 | 157.7 | -100 | -101.3 | 0 | 0 | 0 | 108.1 | V217 I221 | V217-Y219 PolarHBondContact O-N 3.06Å; Y219-I221 PolarHBondContact O-N 3.1Å |
| 220 | P | 32.1 | Very low | 29.8 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 120.3 | 177.7 | 27.3 | -31.1 | 0 | 0 | 0 | 109.7 | L222 | P220-L222 PolarHBondContact O-N 3.35Š|
| 221 | I | 28.1 | Very low | 30.1 | Very low | 162 Ų | 162 | 131.1 Ų | 131.1 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 119.3 | 161.9 | -61.8 | 173.8 | 0 | 0 | 0 | 106.1 | Y219 A223 | Y219-I221 PolarHBondContact O-N 3.1Å; I221-A223 PolarHBondContact O-N 3.22Å |
| 222 | L | 32 | Very low | 30.5 | Very low | 173 Ų | 173 | 133.3 Ų | 133.3 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | trans | -65.8 | 110 | 171.4 | -70.2 | 164.7 | 0 | 0 | 0 | 108.4 | P220 | P220-L222 PolarHBondContact O-N 3.35Š| ||
| 223 | A | 27.9 | Very low | 30.9 | Very low | 96 Ų | 96 | 136.4 Ų | 136.4 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | trans | -113.5 | 110 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | I221 | I221-A223 PolarHBondContact O-N 3.22Š| ||
| 224 | S | 35.3 | Very low | 31.5 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 92% | 0.923 | 79% | 0.792 | S | S | * | * | trans | -73 | 131.8 | 166.8 | 175.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 225 | G | 30.1 | Very low | 32.1 | Very low | 69 Ų | 69 | 134 Ų | 134 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | 162 | 103.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | D227 | G225-D227 PolarHBondContact O-N 3.14Š| ||
| 226 | N | 39.1 | Very low | 32.8 | Very low | 162 Ų | 162 | 135.9 Ų | 135.9 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | trans | -58.8 | 125 | 161.5 | -82 | -11.1 | 0 | 0 | 0 | 107.8 | ||||
| 227 | D | 30.6 | Very low | 34 | Very low | 159 Ų | 159 | 140.3 Ų | 140.3 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | trans | -163.2 | 129.9 | 139.8 | -85.3 | -31 | 0 | 0 | 0 | 109.3 | G225 | G225-D227 PolarHBondContact O-N 3.14Š| ||
| 228 | Q | 43 | Very low | 35.7 | Very low | 185 Ų | 185 | 137.2 Ų | 137.2 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -73.1 | 132.4 | 178.6 | -160.3 | 83.1 | -3.8 | 0 | 0 | 108.3 | ||||
| 229 | S | 36.7 | Very low | 37.4 | Very low | 104 Ų | 104 | 140.4 Ų | 140.4 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | 89.5 | 114.6 | -177.1 | 84.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 230 | C | 28 | Very low | 39.9 | Very low | 130 Ų | 130 | 136.5 Ų | 136.5 | 88% | 0.878 | 79% | 0.792 | S | S | * | * | -178.8 | 129.1 | 129.4 | -90.1 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 231 | L | 35 | Very low | 42 | Very low | 162 Ų | 162 | 134.6 Ų | 134.6 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | trans | -72.7 | 144.7 | 167.6 | -86.6 | 149.8 | 0 | 0 | 0 | 110.4 | ||||
| 232 | T | 34.6 | Very low | 44.5 | Very low | 112 Ų | 112 | 135.4 Ų | 135.4 | 69% | 0.687 | 76% | 0.764 | S | S | * | * | trans | 60.5 | 122.6 | 155.1 | 33.4 | 0 | 0 | 0 | 0 | 120.7 | T234 | T232-T234 HydrophobicContact CG2-CG2 4.04Š| ||
| 233 | I | 34 | Very low | 46.6 | Very low | 176 Ų | 176 | 127.4 Ų | 127.4 | 90% | 0.903 | 72% | 0.722 | S | S | * | * | trans | -119.8 | 111.8 | 135.5 | -58.5 | 177.7 | 0 | 0 | 0 | 106.9 | ||||
| 234 | T | 38.2 | Very low | 48.8 | Very low | 116 Ų | 116 | 133 Ų | 133 | 71% | 0.712 | 73% | 0.729 | S | S | * | * | trans | -83.4 | 130.2 | 178.5 | 44.9 | 0 | 0 | 0 | 0 | 111 | T232 | T232-T234 HydrophobicContact CG2-CG2 4.04Š| ||
| 235 | A | 39 | Very low | 50.8 | Low | 95 Ų | 95 | 131.8 Ų | 131.8 | 79% | 0.785 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -139.3 | 102 | 149.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||
| 236 | K | 40.1 | Very low | 53.2 | Low | 201 Ų | 201 | 129.7 Ų | 129.7 | 87% | 0.874 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 76.5 | 121.8 | -177.3 | -54.9 | -171.6 | 177.9 | -176.2 | 0 | 114.7 | G238 | K236-G238 VanDerWaalsContact C-N 3.32Å; K236-G238 PolarHBondContact O-N 2.99Å |
| 237 | E | 49.9 | Very low | 54.9 | Low | 214 Ų | 214 | 127.2 Ų | 127.2 | 100% | 1 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -59.3 | 84 | -174.4 | -60.7 | 179 | 164.4 | 0 | 0 | 112.2 | ||
| 238 | G | 58.8 | Low | 57 | Low | 44 Ų | 44 | 124 Ų | 124 | 45% | 0.454 | 66% | 0.664 | S | S | . | * | trans | -126.9 | 127.4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | K236 T240 | K236-G238 VanDerWaalsContact C-N 3.32Å; K236-G238 PolarHBondContact O-N 2.99Å; G238-T240 PolarHBondContact O-N 3.15Å | ||
| 239 | K | 68.7 | Low | 58.8 | Low | 175 Ų | 175 | 119.1 Ų | 119.1 | 76% | 0.761 | 65% | 0.648 | S | S | * | * | trans | -56.4 | 113.4 | 170.5 | -69.7 | 174.1 | -178.6 | 175.7 | 0 | 107.8 | Y241 | K239-Y241 HydrophobicContact CB-CE2 4.23Å; K239-Y241 WeakPolarHBondContact O-CD2 3.39Å; K239-Y241 VanDerWaalsContact O-CE2 3.28Å; K239-Y241 WeakPolarHBondContact O-CE2 3.21Å | ||
| 240 | T | 75.9 | Confident | 60.8 | Low | 87 Ų | 87 | 116.1 Ų | 116.1 | 53% | 0.534 | 62% | 0.621 | S | S | . | * | trans | -90 | 145.3 | 174.3 | 57.5 | 0 | 0 | 0 | 0 | 109.9 | G238 F250 F251 | G238-T240 PolarHBondContact O-N 3.15Å; T240-F250 CarbonylContact C-O 3.58Å; T240-F250 WeakPolarHBondContact CA-O 3.06Å; T240-F251 HydrophobicContact CG2-CD1 3.91Å; T240-F251 HydrophobicContact CG2-CE1 3.97Å | ||
| 241 | Y | 77.1 | Confident | 63.2 | Low | 72 Ų | 72 | 117.9 Ų | 117.9 | 28% | 0.282 | 62% | 0.615 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.9 | 110.5 | -176.9 | -63 | -88.1 | 0 | 0 | 0 | 108.6 | K239 F250 K253 M256 | K239-Y241 HydrophobicContact CB-CE2 4.23Å; K239-Y241 WeakPolarHBondContact O-CD2 3.39Å; K239-Y241 VanDerWaalsContact O-CE2 3.28Å; K239-Y241 WeakPolarHBondContact O-CE2 3.21Å; Y241-F250 PolarHBondContact N-O 2.84Å; Y241-F250 PolarHBondContact O-N 3Å; Y241-K253 HydrophobicContact CD1-CB 3.92Å; Y241-K253 HydrophobicContact CD1-CG 3.95Å; Y241-K253 HydrophobicContact CD2-CB 4.17Å; Y241-K253 HydrophobicContact CE1-CB 3.58Å; Y241-K253 HydrophobicContact CE1-CD 4.02Å; Y241-K253 HydrophobicContact CE1-CG 3.71Å; Y241-K253 HydrophobicContact CE2-CB 3.85Å; Y241-K253 HydrophobicContact CG-CB 4.2Å; Y241-M256 HydrophobicContact CD1-CE 4.24Å |
| 242 | R | 79.5 | Confident | 65.3 | Low | 180 Ų | 180 | 112 Ų | 112 | 68% | 0.679 | 59% | 0.587 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.8 | 138.8 | 179.1 | -175.9 | 172.5 | 172.8 | 167.1 | -0.6 | 111 | T249 | R242-T249 HydrophobicContact CB-CG2 4Å; R242-T249 HydrophobicContact CG-CG2 3.99Å |
| 243 | C | 76.8 | Confident | 67.3 | Low | 5 Ų | 5 | 112.1 Ų | 112.1 | 3% | 0.034 | 58% | 0.578 | C | S | . | * | trans | -71.1 | 140 | 170 | -169.8 | 0 | 0 | 0 | 0 | 110.5 | L248 F250 H259 H263 | C243-L248 PolarHBondContact N-O 2.84Å; C243-F250 HydrophobicContact CB-CE2 4.35Å; C243-H259 PolarHBondContact SG-CD2 3.07Å; C243-H259 PolarHBondContact SG-NE2 2.9Å; C243-H259 VanDerWaalsContact SG-NE2 3.4Å; C243-H263 PolarHBondContact SG-CD2 3.3Å; C243-H263 PolarHBondContact SG-NE2 3.38Å; C243-H263 VanDerWaalsContact SG-NE2 3.44Å | ||
| 244 | K | 74.8 | Confident | 69.2 | Low | 214 Ų | 214 | 106.3 Ų | 106.3 | 93% | 0.93 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -78.6 | -20.5 | 179.5 | -64 | -175.1 | 178.9 | -176.2 | 0 | 113.3 | ||
| 245 | V | 78 | Confident | 70.8 | Confident | 106 Ų | 106 | 104.5 Ų | 104.5 | 64% | 0.642 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -101.2 | -27.9 | -174.2 | -177.3 | 0 | 0 | 0 | 0 | 111.9 | H263 | V245-H263 HydrophobicContact CB-CB 4.18Å; V245-H263 HydrophobicContact CG1-CB 4.1Å; V245-H263 HydrophobicContact CG2-CB 4.08Å |
| 246 | C | 78.8 | Confident | 72.7 | Confident | 24 Ų | 24 | 101.6 Ų | 101.6 | 16% | 0.162 | 51% | 0.51 | C | S | . | . | S | Bend | trans | -135.5 | 164.7 | -177.4 | 80.9 | 0 | 0 | 0 | 0 | 111.4 | L248 H259 | C246-L248 PolarHBondContact O-N 3.28Å; C246-L248 VanDerWaalsContact O-N 3.08Å; C246-L248 VanDerWaalsContact SG-CB 3.6Å; C246-H259 PolarHBondContact SG-NE2 2.98Å |
| 247 | P | 75.4 | Confident | 74.2 | Confident | 110 Ų | 110 | 96.6 Ų | 96.6 | 71% | 0.714 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -74 | 4.3 | -176.7 | 29.5 | -34.4 | 0 | 0 | 0 | 114.3 | ||
| 248 | L | 74.9 | Confident | 75.2 | Confident | 92 Ų | 92 | 88.5 Ų | 88.5 | 48% | 0.482 | 45% | 0.452 | S | S | . | . | trans | -72.6 | 136.5 | -177.7 | -65.1 | 172.5 | 0 | 0 | 0 | 112.2 | C243 C246 F250 | C243-L248 PolarHBondContact N-O 2.84Å; C246-L248 PolarHBondContact O-N 3.28Å; C246-L248 VanDerWaalsContact O-N 3.08Å; C246-L248 VanDerWaalsContact SG-CB 3.6Å; L248-F250 HydrophobicContact CB-CE2 3.76Å; L248-F250 HydrophobicContact CB-CZ 3.85Å; L248-F250 HydrophobicContact CD1-CZ 4.32Å | ||
| 249 | T | 80.3 | Confident | 75.8 | Confident | 83 Ų | 83 | 87.7 Ų | 87.7 | 51% | 0.509 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 140.6 | 175.1 | 53.3 | 0 | 0 | 0 | 0 | 109.8 | R242 | R242-T249 HydrophobicContact CB-CG2 4Å; R242-T249 HydrophobicContact CG-CG2 3.99Å |
| 250 | F | 79.6 | Confident | 75.9 | Confident | 41 Ų | 41 | 81.3 Ų | 81.3 | 18% | 0.18 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 149.4 | -175.8 | -59.6 | -90.5 | 0 | 0 | 0 | 110.1 | T240 Y241 C243 L248 S252 D255 M256 H259 | T240-F250 CarbonylContact C-O 3.58Å; T240-F250 WeakPolarHBondContact CA-O 3.06Å; Y241-F250 PolarHBondContact N-O 2.84Å; Y241-F250 PolarHBondContact O-N 3Å; C243-F250 HydrophobicContact CB-CE2 4.35Å; L248-F250 HydrophobicContact CB-CE2 3.76Å; L248-F250 HydrophobicContact CB-CZ 3.85Å; L248-F250 HydrophobicContact CD1-CZ 4.32Å; F250-S252 VanDerWaalsContact C-N 3.34Å; F250-D255 HydrophobicContact CB-CB 4.27Å; F250-D255 HydrophobicContact CD1-CB 3.93Å; F250-D255 HydrophobicContact CG-CB 4.39Å; F250-M256 HydrophobicContact CB-CB 3.94Å; F250-M256 HydrophobicContact CD2-CB 3.66Å; F250-M256 HydrophobicContact CD2-CG 4.02Å; F250-M256 HydrophobicContact CG-CB 3.94Å; F250-H259 HydrophobicContact CE1-CB 3.76Å; F250-H259 HydrophobicContact CE2-CB 3.77Å; F250-H259 AromaticContact CE2-CD2 3.28Å; F250-H259 WeakPolarHBondContact CE2-CD2 3.35Å; F250-H259 AromaticContact CE2-CG 3.52Å; F250-H259 HydrophobicContact CZ-CB 3.3Å; F250-H259 AromaticContact CZ-CD2 3.36Å; F250-H259 WeakPolarHBondContact CZ-CD2 3.32Å; F250-H259 AromaticContact CZ-CG 3.1Å; F250-H259 AromaticContact CZ-ND1 3.7Å |
| 251 | F | 78.3 | Confident | 75.6 | Confident | 167 Ų | 167 | 80.7 Ų | 80.7 | 73% | 0.732 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -86.6 | -7.7 | 177.3 | -63.7 | -79.6 | 0 | 0 | 0 | 113.1 | T240 | T240-F251 HydrophobicContact CG2-CD1 3.91Å; T240-F251 HydrophobicContact CG2-CE1 3.97Å |
| 252 | S | 79.3 | Confident | 75 | Confident | 39 Ų | 39 | 81.5 Ų | 81.5 | 27% | 0.273 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -129.5 | 142.8 | 175.8 | -179.7 | 0 | 0 | 0 | 0 | 111.8 | F250 S254 D255 M256 | F250-S252 VanDerWaalsContact C-N 3.34Å; S252-S254 VanDerWaalsContact C-N 3.26Å; S252-S254 PolarHBondContact O-N 3.32Å; S252-S254 PolarHBondContact OG-N 3.12Å; S252-S254 PolarHBondContact OG-OG 2.82Å; S252-D255 WeakPolarHBondContact CB-OD2 3.44Å; S252-D255 PolarHBondContact O-N 3.35Å; S252-M256 PolarHBondContact O-N 2.86Å; S252-M256 VanDerWaalsContact O-N 3.1Å |
| 253 | K | 75.3 | Confident | 74.4 | Confident | 113 Ų | 113 | 76.4 Ų | 76.4 | 49% | 0.491 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61 | -38.5 | 173 | -166.3 | 176.7 | 176.2 | -179.7 | 0 | 110.9 | Y241 D255 M256 Q257 | Y241-K253 HydrophobicContact CD1-CB 3.92Å; Y241-K253 HydrophobicContact CD1-CG 3.95Å; Y241-K253 HydrophobicContact CD2-CB 4.17Å; Y241-K253 HydrophobicContact CE1-CB 3.58Å; Y241-K253 HydrophobicContact CE1-CD 4.02Å; Y241-K253 HydrophobicContact CE1-CG 3.71Å; Y241-K253 HydrophobicContact CE2-CB 3.85Å; Y241-K253 HydrophobicContact CG-CB 4.2Å; K253-D255 VanDerWaalsContact C-N 3.31Å; K253-D255 PolarHBondContact O-N 3.27Å; K253-M256 HydrophobicContact CG-CE 4.24Å; K253-Q257 WeakPolarHBondContact O-CB 3.44Å; K253-Q257 VanDerWaalsContact O-CG 3.25Å; K253-Q257 WeakPolarHBondContact O-CG 3.46Å; K253-Q257 PolarHBondContact O-N 2.92Å |
| 254 | S | 74 | Confident | 73.7 | Confident | 54 Ų | 54 | 79.7 Ų | 79.7 | 38% | 0.378 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 178.6 | 59.5 | 0 | 0 | 0 | 0 | 111.3 | S252 Q257 I258 | S252-S254 VanDerWaalsContact C-N 3.26Å; S252-S254 PolarHBondContact O-N 3.32Å; S252-S254 PolarHBondContact OG-N 3.12Å; S252-S254 PolarHBondContact OG-OG 2.82Å; S254-Q257 PolarHBondContact O-N 3.39Å; S254-I258 WeakPolarHBondContact O-CD1 3.45Å; S254-I258 WeakPolarHBondContact O-CG1 3.44Å; S254-I258 PolarHBondContact O-N 3.46Å |
| 255 | D | 72.8 | Confident | 72.8 | Confident | 78 Ų | 78 | 79.1 Ų | 79.1 | 42% | 0.417 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -72.7 | -40.9 | -176.2 | -60.7 | -17.1 | 0 | 0 | 0 | 110.8 | F250 S252 K253 Q257 I258 H259 | F250-D255 HydrophobicContact CB-CB 4.27Å; F250-D255 HydrophobicContact CD1-CB 3.93Å; F250-D255 HydrophobicContact CG-CB 4.39Å; S252-D255 WeakPolarHBondContact CB-OD2 3.44Å; S252-D255 PolarHBondContact O-N 3.35Å; K253-D255 VanDerWaalsContact C-N 3.31Å; K253-D255 PolarHBondContact O-N 3.27Å; D255-Q257 VanDerWaalsContact C-N 3.31Å; D255-Q257 PolarHBondContact O-N 3.28Å; D255-I258 PolarHBondContact O-N 3.45Å; D255-H259 VanDerWaalsContact O-CB 3.25Å; D255-H259 WeakPolarHBondContact O-CB 3.36Å; D255-H259 PolarHBondContact O-N 3.42Å |
| 256 | M | 77.9 | Confident | 71.7 | Confident | 35 Ų | 35 | 77 Ų | 77 | 17% | 0.172 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -60.8 | -40.2 | 170.7 | 179.5 | -83 | -59.7 | 0 | 0 | 111.7 | Y241 F250 S252 K253 H259 S260 | Y241-M256 HydrophobicContact CD1-CE 4.24Å; F250-M256 HydrophobicContact CB-CB 3.94Å; F250-M256 HydrophobicContact CD2-CB 3.66Å; F250-M256 HydrophobicContact CD2-CG 4.02Å; F250-M256 HydrophobicContact CG-CB 3.94Å; S252-M256 PolarHBondContact O-N 2.86Å; S252-M256 VanDerWaalsContact O-N 3.1Å; K253-M256 HydrophobicContact CG-CE 4.24Å; M256-H259 CarbonylContact O-C 3.28Å; M256-H259 PolarHBondContact O-N 3.16Å; M256-S260 WeakPolarHBondContact O-CB 3.34Å; M256-S260 PolarHBondContact O-N 3.08Å; M256-S260 PolarHBondContact O-OG 2.86Å |
| 257 | Q | 72.8 | Confident | 70.6 | Confident | 96 Ų | 96 | 83.9 Ų | 83.9 | 45% | 0.449 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -68.8 | -38.2 | 176.9 | -77.9 | 177.9 | -21.6 | 0 | 0 | 113.1 | K253 S254 D255 H259 S260 K261 | K253-Q257 WeakPolarHBondContact O-CB 3.44Å; K253-Q257 VanDerWaalsContact O-CG 3.25Å; K253-Q257 WeakPolarHBondContact O-CG 3.46Å; K253-Q257 PolarHBondContact O-N 2.92Å; S254-Q257 PolarHBondContact O-N 3.39Å; D255-Q257 VanDerWaalsContact C-N 3.31Å; D255-Q257 PolarHBondContact O-N 3.28Å; Q257-H259 VanDerWaalsContact C-N 3.33Å; Q257-S260 WeakPolarHBondContact CA-OG 3.48Å; Q257-S260 PolarHBondContact O-N 3.02Å; Q257-S260 PolarHBondContact O-OG 3.48Å; Q257-K261 WeakPolarHBondContact O-CG 3.39Å; Q257-K261 PolarHBondContact O-N 2.9Å |
| 258 | I | 69.8 | Low | 70.2 | Confident | 43 Ų | 43 | 80.4 Ų | 80.4 | 22% | 0.221 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 173.4 | -68.7 | 159.3 | 0 | 0 | 0 | 109.4 | S254 D255 K261 A279 N280 | S254-I258 WeakPolarHBondContact O-CD1 3.45Å; S254-I258 WeakPolarHBondContact O-CG1 3.44Å; S254-I258 PolarHBondContact O-N 3.46Å; D255-I258 PolarHBondContact O-N 3.45Å; I258-K261 WeakPolarHBondContact O-CB 3.44Å; I258-K261 PolarHBondContact O-N 3.43Å; I258-A279 HydrophobicContact CG2-CB 3.7Å; I258-N280 HydrophobicContact CG1-CB 4.38Å; I258-N280 HydrophobicContact CG2-CB 4.44Å |
| 259 | H | 72.4 | Confident | 70.1 | Confident | 28 Ų | 28 | 78.8 Ų | 78.8 | 13% | 0.13 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65.3 | -38.6 | 175.9 | 171.6 | 68.4 | 0 | 0 | 0 | 112.5 | C243 C246 F250 D255 M256 Q257 K261 T262 H263 | C243-H259 PolarHBondContact SG-CD2 3.07Å; C243-H259 PolarHBondContact SG-NE2 2.9Å; C243-H259 VanDerWaalsContact SG-NE2 3.4Å; C246-H259 PolarHBondContact SG-NE2 2.98Å; F250-H259 HydrophobicContact CE1-CB 3.76Å; F250-H259 HydrophobicContact CE2-CB 3.77Å; F250-H259 AromaticContact CE2-CD2 3.28Å; F250-H259 WeakPolarHBondContact CE2-CD2 3.35Å; F250-H259 AromaticContact CE2-CG 3.52Å; F250-H259 HydrophobicContact CZ-CB 3.3Å; F250-H259 AromaticContact CZ-CD2 3.36Å; F250-H259 WeakPolarHBondContact CZ-CD2 3.32Å; F250-H259 AromaticContact CZ-CG 3.1Å; F250-H259 AromaticContact CZ-ND1 3.7Å; D255-H259 VanDerWaalsContact O-CB 3.25Å; D255-H259 WeakPolarHBondContact O-CB 3.36Å; D255-H259 PolarHBondContact O-N 3.42Å; M256-H259 CarbonylContact O-C 3.28Å; M256-H259 PolarHBondContact O-N 3.16Å; Q257-H259 VanDerWaalsContact C-N 3.33Å; H259-K261 PolarHBondContact O-N 2.97Å; H259-K261 VanDerWaalsContact O-N 3.17Å; H259-T262 WeakPolarHBondContact O-CB 3.18Å; H259-T262 PolarHBondContact O-N 2.81Å; H259-T262 PolarHBondContact O-OG1 3.18Å; H259-H263 AromaticContact CD2-NE2 3.88Å; H259-H263 AromaticContact CE1-NE2 3.33Å; H259-H263 PolarHBondContact CE1-NE2 3.33Å; H259-H263 VanDerWaalsContact CE1-NE2 3.33Å; H259-H263 AromaticContact NE2-CD2 3.67Å; H259-H263 AromaticContact NE2-CE1 3.98Å; H259-H263 AromaticContact NE2-NE2 2.93Å; H259-H263 PolarHBondContact NE2-NE2 3.41Å |
| 260 | S | 69.4 | Low | 69.9 | Low | 41 Ų | 41 | 82.5 Ų | 82.5 | 29% | 0.287 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.8 | -28.3 | 177.7 | 61 | 0 | 0 | 0 | 0 | 112.4 | M256 Q257 T262 H263 T264 | M256-S260 WeakPolarHBondContact O-CB 3.34Å; M256-S260 PolarHBondContact O-N 3.08Å; M256-S260 PolarHBondContact O-OG 2.86Å; Q257-S260 WeakPolarHBondContact CA-OG 3.48Å; Q257-S260 PolarHBondContact O-N 3.02Å; Q257-S260 PolarHBondContact O-OG 3.48Å; S260-T262 PolarHBondContact O-N 3.35Å; S260-H263 WeakPolarHBondContact O-CB 3.47Å; S260-H263 PolarHBondContact O-N 3.17Å; S260-T264 PolarHBondContact O-N 2.9Å; S260-T264 PolarHBondContact O-OG1 3.45Å |
| 261 | K | 70 | Confident | 69.9 | Low | 73 Ų | 73 | 81 Ų | 81 | 32% | 0.317 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -9.2 | 172.9 | -63.7 | 172.5 | -175.8 | -177.7 | 0 | 113.9 | Q257 I258 H259 H263 A279 | Q257-K261 WeakPolarHBondContact O-CG 3.39Å; Q257-K261 PolarHBondContact O-N 2.9Å; I258-K261 WeakPolarHBondContact O-CB 3.44Å; I258-K261 PolarHBondContact O-N 3.43Å; H259-K261 PolarHBondContact O-N 2.97Å; H259-K261 VanDerWaalsContact O-N 3.17Å; K261-H263 VanDerWaalsContact C-N 3.34Å; K261-A279 WeakPolarHBondContact CD-O 3.45Å |
| 262 | T | 65.3 | Low | 69.7 | Low | 89 Ų | 89 | 76 Ų | 76 | 55% | 0.546 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -19.3 | 169.1 | 70.5 | 0 | 0 | 0 | 0 | 112 | H259 S260 A279 | H259-T262 WeakPolarHBondContact O-CB 3.18Å; H259-T262 PolarHBondContact O-N 2.81Å; H259-T262 PolarHBondContact O-OG1 3.18Å; S260-T262 PolarHBondContact O-N 3.35Å; T262-A279 HydrophobicContact CG2-CB 4.33Å |
| 263 | H | 66.6 | Low | 69.4 | Low | 73 Ų | 73 | 78.7 Ų | 78.7 | 34% | 0.338 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -26 | 176.3 | -62.2 | -61.1 | 0 | 0 | 0 | 112.7 | C243 V245 H259 S260 K261 | C243-H263 PolarHBondContact SG-CD2 3.3Å; C243-H263 PolarHBondContact SG-NE2 3.38Å; C243-H263 VanDerWaalsContact SG-NE2 3.44Å; V245-H263 HydrophobicContact CB-CB 4.18Å; V245-H263 HydrophobicContact CG1-CB 4.1Å; V245-H263 HydrophobicContact CG2-CB 4.08Å; H259-H263 AromaticContact CD2-NE2 3.88Å; H259-H263 AromaticContact CE1-NE2 3.33Å; H259-H263 PolarHBondContact CE1-NE2 3.33Å; H259-H263 VanDerWaalsContact CE1-NE2 3.33Å; H259-H263 AromaticContact NE2-CD2 3.67Å; H259-H263 AromaticContact NE2-CE1 3.98Å; H259-H263 AromaticContact NE2-NE2 2.93Å; H259-H263 PolarHBondContact NE2-NE2 3.41Å; S260-H263 WeakPolarHBondContact O-CB 3.47Å; S260-H263 PolarHBondContact O-N 3.17Å; K261-H263 VanDerWaalsContact C-N 3.34Å |
| 264 | T | 62 | Low | 69.8 | Low | 75 Ų | 75 | 75.4 Ų | 75.4 | 46% | 0.46 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -107.1 | 129.2 | 176.7 | 59.3 | 0 | 0 | 0 | 0 | 109.4 | S260 A266 | S260-T264 PolarHBondContact O-N 2.9Å; S260-T264 PolarHBondContact O-OG1 3.45Å; T264-A266 PolarHBondContact O-N 3.27Å |
| 265 | E | 56.9 | Low | 70.1 | Confident | 201 Ų | 201 | 79.8 Ų | 79.8 | 94% | 0.939 | 42% | 0.423 | S | S | * | . | trans | -61.7 | -1.7 | 171.2 | -62.2 | -174.6 | 161.6 | 0 | 0 | 113.6 | K267 | E265-K267 PolarHBondContact O-N 3.24Š| ||
| 266 | A | 53.9 | Low | 70.3 | Confident | 62 Ų | 62 | 81.9 Ų | 81.9 | 51% | 0.512 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 111 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T264 | T264-A266 PolarHBondContact O-N 3.27Š|
| 267 | K | 56.7 | Low | 70.3 | Confident | 169 Ų | 169 | 84 Ų | 84 | 74% | 0.735 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73 | 48.1 | 162 | -146 | 170.8 | -171.7 | 172.9 | 0 | 115.1 | E265 | E265-K267 PolarHBondContact O-N 3.24Š|
| 268 | A | 66.9 | Low | 70.6 | Confident | 37 Ų | 37 | 81.4 Ų | 81.4 | 31% | 0.306 | 43% | 0.431 | S | S | . | . | trans | -76 | 131.3 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | K270 F278 | A268-K270 PolarHBondContact O-N 3.45Å; A268-F278 CarbonylContact C-O 3.46Å; A268-F278 WeakPolarHBondContact CA-O 3.19Å | ||
| 269 | H | 72.6 | Confident | 70.9 | Confident | 57 Ų | 57 | 80.4 Ų | 80.4 | 26% | 0.264 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 104.1 | 174.7 | -67.9 | -93.3 | 0 | 0 | 0 | 108.8 | F278 N280 A281 L284 | H269-F278 HydrophobicContact CB-CB 4.5Å; H269-F278 PolarHBondContact N-O 3.21Å; H269-F278 PolarHBondContact O-N 3.13Å; H269-N280 VanDerWaalsContact CD2-CA 3.44Å; H269-N280 WeakPolarHBondContact CD2-CA 3.46Å; H269-A281 PolarHBondContact CD2-N 3.22Å; H269-A281 VanDerWaalsContact CD2-N 3.3Å; H269-A281 PolarHBondContact NE2-N 3.06Å; H269-L284 HydrophobicContact CB-CB 4Å; H269-L284 HydrophobicContact CB-CD2 3.77Å; H269-L284 HydrophobicContact CB-CG 4.46Å |
| 270 | K | 76 | Confident | 71.1 | Confident | 162 Ų | 162 | 80.1 Ų | 80.1 | 70% | 0.704 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 140.6 | -178.7 | -54.3 | -166.5 | 176.3 | -178.5 | 0 | 110.4 | A268 T277 | A268-K270 PolarHBondContact O-N 3.45Å; K270-T277 HydrophobicContact CB-CG2 4.35Å; K270-T277 HydrophobicContact CD-CG2 4.39Å; K270-T277 HydrophobicContact CG-CG2 3.8Å |
| 271 | C | 78.9 | Confident | 71.3 | Confident | 10 Ų | 10 | 79.6 Ų | 79.6 | 7% | 0.068 | 43% | 0.427 | C | S | . | . | trans | -74.5 | 133.3 | 169.6 | -174.6 | 0 | 0 | 0 | 0 | 110.1 | H273 C274 K276 F278 L284 H287 H291 | C271-H273 PolarHBondContact O-N 2.07Å; C271-H273 PolarHBondContact SG-N 2.89Å; C271-H273 VanDerWaalsContact SG-N 3.42Å; C271-C274 VanDerWaalsContact SG-SG 3.68Å; C271-K276 WeakPolarHBondContact CB-O 3.32Å; C271-K276 PolarHBondContact N-O 3.45Å; C271-F278 HydrophobicContact CB-CE2 4.33Å; C271-L284 HydrophobicContact CB-CD1 3.98Å; C271-H287 VanDerWaalsContact SG-CD2 3.52Å; C271-H287 PolarHBondContact SG-NE2 2.74Å; C271-H291 PolarHBondContact SG-NE2 3.47Å | ||
| 272 | P | 74 | Confident | 71.7 | Confident | 61 Ų | 61 | 80.4 Ų | 80.4 | 40% | 0.396 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -70.1 | -20.3 | 174.6 | 27.3 | -34 | 0 | 0 | 0 | 113 | L288 | P272-L288 HydrophobicContact CG-CD2 4.14Š|
| 273 | H | 74.3 | Confident | 72.5 | Confident | 96 Ų | 96 | 82.1 Ų | 82.1 | 44% | 0.444 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -105.8 | -6.5 | -174.3 | -58.7 | -63.8 | 0 | 0 | 0 | 114.1 | C271 H291 | C271-H273 PolarHBondContact O-N 2.07Å; C271-H273 PolarHBondContact SG-N 2.89Å; C271-H273 VanDerWaalsContact SG-N 3.42Å; H273-H291 HydrophobicContact CB-CB 4.39Å; H273-H291 VanDerWaalsContact CB-CE1 3.43Å; H273-H291 WeakPolarHBondContact CB-CE1 3.38Å; H273-H291 WeakPolarHBondContact CB-ND1 3.28Å; H273-H291 AromaticContact CD2-CG 3.95Å |
| 274 | C | 82.4 | Confident | 73.1 | Confident | 43 Ų | 43 | 79 Ų | 79 | 29% | 0.291 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -155.9 | 169.8 | 175 | 70.3 | 0 | 0 | 0 | 0 | 112.3 | C271 K276 H287 | C271-C274 VanDerWaalsContact SG-SG 3.68Å; C274-K276 PolarHBondContact O-N 2.95Å; C274-H287 PolarHBondContact SG-NE2 3.41Å |
| 275 | T | 81.1 | Confident | 73.9 | Confident | 146 Ų | 146 | 76.4 Ų | 76.4 | 90% | 0.896 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -71.8 | 1.1 | -178.4 | 56 | 0 | 0 | 0 | 0 | 114.5 | ||
| 276 | K | 76.3 | Confident | 75.1 | Confident | 123 Ų | 123 | 69.6 Ų | 69.6 | 54% | 0.535 | 38% | 0.379 | S | S | . | . | trans | -75.8 | 137.9 | -176.5 | -62.5 | -169.5 | 178.6 | -161.3 | 0 | 111.6 | C271 C274 F278 | C271-K276 WeakPolarHBondContact CB-O 3.32Å; C271-K276 PolarHBondContact N-O 3.45Å; C274-K276 PolarHBondContact O-N 2.95Å; K276-F278 HydrophobicContact CB-CE2 3.85Å; K276-F278 HydrophobicContact CB-CZ 3.87Å; K276-F278 HydrophobicContact CD-CZ 4.39Å | ||
| 277 | T | 78.9 | Confident | 76.5 | Confident | 80 Ų | 80 | 67.4 Ų | 67.4 | 49% | 0.491 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 141.8 | 176.9 | 64 | 0 | 0 | 0 | 0 | 109.9 | K270 | K270-T277 HydrophobicContact CB-CG2 4.35Å; K270-T277 HydrophobicContact CD-CG2 4.39Å; K270-T277 HydrophobicContact CG-CG2 3.8Å |
| 278 | F | 78.9 | Confident | 77.5 | Confident | 41 Ų | 41 | 59.3 Ų | 59.3 | 18% | 0.18 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 143.4 | -174 | -62.1 | -84.2 | 0 | 0 | 0 | 111.3 | A268 H269 C271 K276 N280 L284 H287 | A268-F278 CarbonylContact C-O 3.46Å; A268-F278 WeakPolarHBondContact CA-O 3.19Å; H269-F278 HydrophobicContact CB-CB 4.5Å; H269-F278 PolarHBondContact N-O 3.21Å; H269-F278 PolarHBondContact O-N 3.13Å; C271-F278 HydrophobicContact CB-CE2 4.33Å; K276-F278 HydrophobicContact CB-CE2 3.85Å; K276-F278 HydrophobicContact CB-CZ 3.87Å; K276-F278 HydrophobicContact CD-CZ 4.39Å; F278-N280 PolarHBondContact O-N 3.01Å; F278-L284 HydrophobicContact CB-CB 4.21Å; F278-L284 HydrophobicContact CD2-CB 4Å; F278-L284 HydrophobicContact CD2-CD1 3.74Å; F278-L284 HydrophobicContact CD2-CG 4.48Å; F278-L284 HydrophobicContact CE2-CD1 4.03Å; F278-L284 HydrophobicContact CG-CB 4.28Å; F278-H287 HydrophobicContact CD2-CB 4.5Å; F278-H287 HydrophobicContact CE1-CB 3.81Å; F278-H287 HydrophobicContact CE2-CB 3.72Å; F278-H287 AromaticContact CE2-CD2 3.29Å; F278-H287 WeakPolarHBondContact CE2-CD2 3.22Å; F278-H287 AromaticContact CE2-CG 3.45Å; F278-H287 VanDerWaalsContact CE2-CG 3.45Å; F278-H287 AromaticContact CE2-NE2 3.94Å; F278-H287 HydrophobicContact CZ-CB 3.33Å; F278-H287 AromaticContact CZ-CD2 3.47Å; F278-H287 VanDerWaalsContact CZ-CD2 3.47Å; F278-H287 WeakPolarHBondContact CZ-CD2 3.48Å; F278-H287 AromaticContact CZ-CG 3.11Å; F278-H287 AromaticContact CZ-ND1 3.52Å; F278-H287 AromaticContact CZ-NE2 4Å |
| 279 | A | 76.4 | Confident | 78.3 | Confident | 22 Ų | 22 | 59.2 Ų | 59.2 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -67.9 | -19.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I258 K261 T262 | I258-A279 HydrophobicContact CG2-CB 3.7Å; K261-A279 WeakPolarHBondContact CD-O 3.45Å; T262-A279 HydrophobicContact CG2-CB 4.33Å |
| 280 | N | 75.3 | Confident | 78.9 | Confident | 21 Ų | 21 | 60.3 Ų | 60.3 | 11% | 0.112 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -148.6 | 163.2 | 176.4 | 69.6 | 26.9 | 0 | 0 | 0 | 112.3 | I258 H269 F278 S282 Y283 L284 | I258-N280 HydrophobicContact CG1-CB 4.38Å; I258-N280 HydrophobicContact CG2-CB 4.44Å; H269-N280 VanDerWaalsContact CD2-CA 3.44Å; H269-N280 WeakPolarHBondContact CD2-CA 3.46Å; F278-N280 PolarHBondContact O-N 3.01Å; N280-S282 VanDerWaalsContact C-N 3.32Å; N280-S282 PolarHBondContact O-N 3.18Å; N280-S282 PolarHBondContact OD1-N 3.32Å; N280-Y283 WeakPolarHBondContact ND2-CD2 3.19Å; N280-Y283 VanDerWaalsContact ND2-CE2 3.28Å; N280-Y283 WeakPolarHBondContact ND2-CE2 3.42Å; N280-Y283 PolarHBondContact O-N 3.34Å; N280-Y283 VanDerWaalsContact OD1-CB 3.28Å; N280-Y283 WeakPolarHBondContact OD1-CB 3.31Å; N280-Y283 WeakPolarHBondContact OD1-CD2 3.28Å; N280-Y283 VanDerWaalsContact OD1-CG 3.26Å; N280-Y283 PolarHBondContact OD1-N 3.38Å; N280-L284 PolarHBondContact O-N 3.2Å |
| 281 | A | 74.1 | Confident | 78.9 | Confident | 31 Ų | 31 | 56.4 Ų | 56.4 | 26% | 0.256 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.4 | -34.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I122 H269 Y283 L284 A285 | I122-A281 HydrophobicContact CG2-CB 4.14Å; H269-A281 PolarHBondContact CD2-N 3.22Å; H269-A281 VanDerWaalsContact CD2-N 3.3Å; H269-A281 PolarHBondContact NE2-N 3.06Å; A281-Y283 PolarHBondContact O-N 2.8Å; A281-L284 PolarHBondContact O-N 2.87Å; A281-A285 WeakPolarHBondContact O-CB 3.39Å; A281-A285 PolarHBondContact O-N 3.1Å |
| 282 | S | 78.4 | Confident | 78.7 | Confident | 89 Ų | 89 | 58.7 Ų | 58.7 | 62% | 0.622 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -64.8 | -39.1 | -179.5 | -50.6 | 0 | 0 | 0 | 0 | 112.7 | N280 A285 Q286 | N280-S282 VanDerWaalsContact C-N 3.32Å; N280-S282 PolarHBondContact O-N 3.18Å; N280-S282 PolarHBondContact OD1-N 3.32Å; S282-A285 PolarHBondContact O-N 3.31Å; S282-Q286 WeakPolarHBondContact O-CB 3.39Å; S282-Q286 PolarHBondContact O-N 3.27Å |
| 283 | Y | 81.5 | Confident | 78.9 | Confident | 125 Ų | 125 | 58 Ų | 58 | 49% | 0.49 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -71.2 | -37.8 | 174.2 | -71.3 | -52.2 | 0 | 0 | 0 | 111.3 | N280 A281 Q286 H287 | N280-Y283 WeakPolarHBondContact ND2-CD2 3.19Å; N280-Y283 VanDerWaalsContact ND2-CE2 3.28Å; N280-Y283 WeakPolarHBondContact ND2-CE2 3.42Å; N280-Y283 PolarHBondContact O-N 3.34Å; N280-Y283 VanDerWaalsContact OD1-CB 3.28Å; N280-Y283 WeakPolarHBondContact OD1-CB 3.31Å; N280-Y283 WeakPolarHBondContact OD1-CD2 3.28Å; N280-Y283 VanDerWaalsContact OD1-CG 3.26Å; N280-Y283 PolarHBondContact OD1-N 3.38Å; A281-Y283 PolarHBondContact O-N 2.8Å; Y283-Q286 PolarHBondContact O-N 3.41Å; Y283-H287 VanDerWaalsContact O-CB 3.31Å; Y283-H287 WeakPolarHBondContact O-CB 2.99Å; Y283-H287 PolarHBondContact O-N 3.13Å |
| 284 | L | 79.4 | Confident | 79 | Confident | 8 Ų | 8 | 54.9 Ų | 54.9 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61 | -46.9 | 171.1 | 174.6 | 62.1 | 0 | 0 | 0 | 111 | I122 H269 C271 F278 N280 A281 Q286 H287 L288 | I122-L284 HydrophobicContact CG1-CD2 4.33Å; H269-L284 HydrophobicContact CB-CB 4Å; H269-L284 HydrophobicContact CB-CD2 3.77Å; H269-L284 HydrophobicContact CB-CG 4.46Å; C271-L284 HydrophobicContact CB-CD1 3.98Å; F278-L284 HydrophobicContact CB-CB 4.21Å; F278-L284 HydrophobicContact CD2-CB 4Å; F278-L284 HydrophobicContact CD2-CD1 3.74Å; F278-L284 HydrophobicContact CD2-CG 4.48Å; F278-L284 HydrophobicContact CE2-CD1 4.03Å; F278-L284 HydrophobicContact CG-CB 4.28Å; N280-L284 PolarHBondContact O-N 3.2Å; A281-L284 PolarHBondContact O-N 2.87Å; L284-Q286 VanDerWaalsContact C-N 3.32Å; L284-Q286 PolarHBondContact O-N 2.91Å; L284-H287 CarbonylContact O-C 3.53Å; L284-H287 WeakPolarHBondContact O-CA 3.37Å; L284-H287 WeakPolarHBondContact O-CB 3.37Å; L284-H287 PolarHBondContact O-N 3.35Å; L284-H287 VanDerWaalsContact O-N 3.07Å; L284-L288 HydrophobicContact CD1-CD1 4.34Å; L284-L288 HydrophobicContact CD1-CD2 4.47Å; L284-L288 HydrophobicContact CD1-CG 4.04Å; L284-L288 HydrophobicContact CG-CD1 4.1Å; L284-L288 HydrophobicContact CG-CG 4.28Å; L284-L288 WeakPolarHBondContact O-CG 3.44Å; L284-L288 PolarHBondContact O-N 3.48Å |
| 285 | A | 78.7 | Confident | 79 | Confident | 21 Ų | 21 | 58.1 Ų | 58.1 | 17% | 0.174 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -56.8 | -47.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111 | L118 I122 A281 S282 H287 L288 R289 | L118-A285 HydrophobicContact CD2-CB 3.94Å; L118-A285 WeakPolarHBondContact CD2-O 3.37Å; I122-A285 HydrophobicContact CD1-CB 3.67Å; A281-A285 WeakPolarHBondContact O-CB 3.39Å; A281-A285 PolarHBondContact O-N 3.1Å; S282-A285 PolarHBondContact O-N 3.31Å; A285-H287 VanDerWaalsContact C-N 3.26Å; A285-H287 PolarHBondContact O-N 3.45Å; A285-L288 PolarHBondContact O-N 3.24Å; A285-R289 PolarHBondContact O-N 3.16Å |
| 286 | Q | 81.9 | Confident | 78.8 | Confident | 57 Ų | 57 | 52.1 Ų | 52.1 | 27% | 0.266 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.2 | -38.6 | 176.3 | 179.3 | 175.2 | 69.9 | 0 | 0 | 112.6 | S282 Y283 L284 R289 Q308 | S282-Q286 WeakPolarHBondContact O-CB 3.39Å; S282-Q286 PolarHBondContact O-N 3.27Å; Y283-Q286 PolarHBondContact O-N 3.41Å; L284-Q286 VanDerWaalsContact C-N 3.32Å; L284-Q286 PolarHBondContact O-N 2.91Å; Q286-R289 WeakPolarHBondContact O-CB 3.4Å; Q286-Q308 HydrophobicContact CG-CG 4.37Å |
| 287 | H | 83.7 | Confident | 79 | Confident | 16 Ų | 16 | 49.9 Ų | 49.9 | 7% | 0.074 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.9 | -40 | 177 | 169.3 | 70.8 | 0 | 0 | 0 | 112.9 | C271 C274 F278 Y283 L284 A285 R289 I290 H291 | C271-H287 VanDerWaalsContact SG-CD2 3.52Å; C271-H287 PolarHBondContact SG-NE2 2.74Å; C274-H287 PolarHBondContact SG-NE2 3.41Å; F278-H287 HydrophobicContact CD2-CB 4.5Å; F278-H287 HydrophobicContact CE1-CB 3.81Å; F278-H287 HydrophobicContact CE2-CB 3.72Å; F278-H287 AromaticContact CE2-CD2 3.29Å; F278-H287 WeakPolarHBondContact CE2-CD2 3.22Å; F278-H287 AromaticContact CE2-CG 3.45Å; F278-H287 VanDerWaalsContact CE2-CG 3.45Å; F278-H287 AromaticContact CE2-NE2 3.94Å; F278-H287 HydrophobicContact CZ-CB 3.33Å; F278-H287 AromaticContact CZ-CD2 3.47Å; F278-H287 VanDerWaalsContact CZ-CD2 3.47Å; F278-H287 WeakPolarHBondContact CZ-CD2 3.48Å; F278-H287 AromaticContact CZ-CG 3.11Å; F278-H287 AromaticContact CZ-ND1 3.52Å; F278-H287 AromaticContact CZ-NE2 4Å; Y283-H287 VanDerWaalsContact O-CB 3.31Å; Y283-H287 WeakPolarHBondContact O-CB 2.99Å; Y283-H287 PolarHBondContact O-N 3.13Å; L284-H287 CarbonylContact O-C 3.53Å; L284-H287 WeakPolarHBondContact O-CA 3.37Å; L284-H287 WeakPolarHBondContact O-CB 3.37Å; L284-H287 PolarHBondContact O-N 3.35Å; L284-H287 VanDerWaalsContact O-N 3.07Å; A285-H287 VanDerWaalsContact C-N 3.26Å; A285-H287 PolarHBondContact O-N 3.45Å; H287-R289 PolarHBondContact O-N 3.35Å; H287-I290 WeakPolarHBondContact O-CB 3.29Å; H287-I290 VanDerWaalsContact O-CG1 3.26Å; H287-I290 WeakPolarHBondContact O-CG1 3.22Å; H287-I290 PolarHBondContact O-N 3.13Å; H287-H291 AromaticContact CE1-NE2 3.67Å; H287-H291 AromaticContact NE2-CD2 3.59Å; H287-H291 AromaticContact NE2-NE2 3.24Å; H287-H291 PolarHBondContact NE2-NE2 3.12Å |
| 288 | L | 78.3 | Confident | 79.2 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.3 | -28.3 | 178.5 | -77.3 | 174.2 | 0 | 0 | 0 | 112.6 | L118 L121 I122 P272 L284 A285 I290 H291 L292 | L118-L288 HydrophobicContact CD2-CB 3.54Å; L118-L288 HydrophobicContact CD2-CD1 4.14Å; L118-L288 HydrophobicContact CD2-CG 4.49Å; L121-L288 HydrophobicContact CB-CD1 3.94Å; L121-L288 HydrophobicContact CD1-CD1 4.4Å; I122-L288 HydrophobicContact CG1-CD1 4.24Å; P272-L288 HydrophobicContact CG-CD2 4.14Å; L284-L288 HydrophobicContact CD1-CD1 4.34Å; L284-L288 HydrophobicContact CD1-CD2 4.47Å; L284-L288 HydrophobicContact CD1-CG 4.04Å; L284-L288 HydrophobicContact CG-CD1 4.1Å; L284-L288 HydrophobicContact CG-CG 4.28Å; L284-L288 WeakPolarHBondContact O-CG 3.44Å; L284-L288 PolarHBondContact O-N 3.48Å; A285-L288 PolarHBondContact O-N 3.24Å; L288-I290 PolarHBondContact O-N 2.89Å; L288-I290 VanDerWaalsContact O-N 3.07Å; L288-H291 PolarHBondContact O-N 3.09Å; L288-L292 PolarHBondContact O-N 3.27Å |
| 289 | R | 84.3 | Confident | 79.5 | Confident | 34 Ų | 34 | 51.1 Ų | 51.1 | 13% | 0.128 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.3 | -23.3 | 170 | -67.6 | -173.6 | -83.9 | -158.4 | -14.5 | 113.7 | L118 A285 Q286 H287 G293 L294 R307 | L118-R289 HydrophobicContact CD1-CG 4.05Å; A285-R289 PolarHBondContact O-N 3.16Å; Q286-R289 WeakPolarHBondContact O-CB 3.4Å; H287-R289 PolarHBondContact O-N 3.35Å; R289-G293 CarbonylContact O-C 3.59Å; R289-G293 PolarHBondContact O-N 2.98Å; R289-L294 HydrophobicContact CB-CB 4.19Å; R289-L294 HydrophobicContact CG-CB 4.15Å; R289-L294 PolarHBondContact O-N 3.07Å; R289-R307 VanDerWaalsContact CZ-O 3.24Å; R289-R307 PolarHBondContact NH1-O 3.5Å |
| 290 | I | 83.8 | Confident | 80 | Confident | 81 Ų | 81 | 53.4 Ų | 53.4 | 42% | 0.415 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -70.8 | -47.2 | 174.8 | -56.1 | 179.8 | 0 | 0 | 0 | 110.2 | H287 L288 G293 | H287-I290 WeakPolarHBondContact O-CB 3.29Å; H287-I290 VanDerWaalsContact O-CG1 3.26Å; H287-I290 WeakPolarHBondContact O-CG1 3.22Å; H287-I290 PolarHBondContact O-N 3.13Å; L288-I290 PolarHBondContact O-N 2.89Å; L288-I290 VanDerWaalsContact O-N 3.07Å; I290-G293 PolarHBondContact O-N 3.42Å |
| 291 | H | 77.1 | Confident | 80.3 | Confident | 79 Ų | 79 | 58 Ų | 58 | 37% | 0.366 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.5 | -39.5 | -179.9 | -71 | -69.6 | 0 | 0 | 0 | 111.9 | C271 H273 H287 L288 G293 | C271-H291 PolarHBondContact SG-NE2 3.47Å; H273-H291 HydrophobicContact CB-CB 4.39Å; H273-H291 VanDerWaalsContact CB-CE1 3.43Å; H273-H291 WeakPolarHBondContact CB-CE1 3.38Å; H273-H291 WeakPolarHBondContact CB-ND1 3.28Å; H273-H291 AromaticContact CD2-CG 3.95Å; H287-H291 AromaticContact CE1-NE2 3.67Å; H287-H291 AromaticContact NE2-CD2 3.59Å; H287-H291 AromaticContact NE2-NE2 3.24Å; H287-H291 PolarHBondContact NE2-NE2 3.12Å; L288-H291 PolarHBondContact O-N 3.09Å; H291-G293 VanDerWaalsContact C-N 3.26Å; H291-G293 PolarHBondContact O-N 3.5Å |
| 292 | L | 74.6 | Confident | 80.9 | Confident | 59 Ų | 59 | 58.4 Ų | 58.4 | 31% | 0.309 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -3.2 | 179.3 | -60.7 | 171.7 | 0 | 0 | 0 | 113.4 | L118 L121 L288 L294 | L118-L292 HydrophobicContact CG-CD1 4.43Å; L121-L292 HydrophobicContact CD1-CD1 3.81Å; L121-L292 HydrophobicContact CD1-CD2 4.39Å; L288-L292 PolarHBondContact O-N 3.27Å; L292-L294 HydrophobicContact CB-CD1 3.91Å; L292-L294 HydrophobicContact CB-CG 3.66Å; L292-L294 HydrophobicContact CD1-CD1 3.8Å; L292-L294 HydrophobicContact CD1-CG 4.49Å; L292-L294 PolarHBondContact O-N 2.92Å |
| 293 | G | 76.9 | Confident | 81.3 | Confident | 47 Ų | 47 | 62 Ų | 62 | 49% | 0.485 | 30% | 0.303 | S | S | . | . | trans | 64.6 | 8.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115 | R289 I290 H291 K295 | R289-G293 CarbonylContact O-C 3.59Å; R289-G293 PolarHBondContact O-N 2.98Å; I290-G293 PolarHBondContact O-N 3.42Å; H291-G293 VanDerWaalsContact C-N 3.26Å; H291-G293 PolarHBondContact O-N 3.5Å; G293-K295 PolarHBondContact O-N 2.71Å | ||
| 294 | L | 77.2 | Confident | 81.3 | Confident | 29 Ų | 29 | 62.8 Ų | 62.8 | 15% | 0.152 | 31% | 0.305 | C | S | . | . | trans | -65.9 | 126 | -174.6 | -62 | 176.4 | 0 | 0 | 0 | 111.3 | E114 L118 R289 L292 R307 | E114-L294 HydrophobicContact CB-CD1 4.09Å; E114-L294 HydrophobicContact CG-CD1 4.12Å; E114-L294 HydrophobicContact CG-CD2 4.06Å; L118-L294 HydrophobicContact CD1-CD1 4.04Å; R289-L294 HydrophobicContact CB-CB 4.19Å; R289-L294 HydrophobicContact CG-CB 4.15Å; R289-L294 PolarHBondContact O-N 3.07Å; L292-L294 HydrophobicContact CB-CD1 3.91Å; L292-L294 HydrophobicContact CB-CG 3.66Å; L292-L294 HydrophobicContact CD1-CD1 3.8Å; L292-L294 HydrophobicContact CD1-CG 4.49Å; L292-L294 PolarHBondContact O-N 2.92Å; L294-R307 WeakPolarHBondContact O-CG 3.47Å | ||
| 295 | K | 81.8 | Confident | 81.6 | Confident | 111 Ų | 111 | 64.6 Ų | 64.6 | 48% | 0.483 | 32% | 0.318 | S | S | . | . | trans | -131.3 | 73.4 | 178.3 | -68.6 | 168.2 | 174.8 | -178.5 | 0 | 109.2 | G293 Y297 C305 F306 R307 | G293-K295 PolarHBondContact O-N 2.71Å; K295-Y297 PolarHBondContact O-N 3.13Å; K295-Y297 VanDerWaalsContact O-N 3.12Å; K295-C305 HydrophobicContact CB-CB 3.51Å; K295-C305 HydrophobicContact CD-CB 4.11Å; K295-C305 WeakPolarHBondContact CD-O 2.96Å; K295-C305 HydrophobicContact CG-CB 4.41Å; K295-F306 CarbonylContact C-O 3.53Å; K295-F306 VanDerWaalsContact C-O 3.28Å; K295-F306 WeakPolarHBondContact CA-O 3.42Å; K295-R307 HydrophobicContact CG-CG 3.92Å | ||
| 296 | P | 77.1 | Confident | 81.8 | Confident | 20 Ų | 20 | 65.6 Ų | 65.6 | 13% | 0.13 | 32% | 0.319 | C | S | . | . | trans | -64.2 | -19.4 | -172.3 | 19.6 | -30.8 | 0 | 0 | 0 | 114 | L107 E114 | L107-P296 VanDerWaalsContact CD2-O 3.32Å; L107-P296 WeakPolarHBondContact CD2-O 3.38Å; E114-P296 WeakPolarHBondContact OE2-CB 3.49Å | ||
| 297 | Y | 81.5 | Confident | 81.8 | Confident | 76 Ų | 76 | 67.5 Ų | 67.5 | 30% | 0.298 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 103.3 | -172.7 | -53 | -74.3 | 0 | 0 | 0 | 111.2 | K295 C305 F306 L309 | K295-Y297 PolarHBondContact O-N 3.13Å; K295-Y297 VanDerWaalsContact O-N 3.12Å; Y297-C305 CarbonylContact O-C 3.53Å; Y297-C305 VanDerWaalsContact O-CA 3.31Å; Y297-C305 WeakPolarHBondContact O-CA 3.45Å; Y297-F306 WeakPolarHBondContact CD2-O 3.35Å; Y297-F306 PolarHBondContact N-O 3.38Å; Y297-F306 VanDerWaalsContact N-O 3.09Å; Y297-F306 PolarHBondContact O-N 3.14Å; Y297-L309 HydrophobicContact CD1-CB 4.16Å; Y297-L309 HydrophobicContact CD1-CD1 4.05Å; Y297-L309 HydrophobicContact CE1-CB 3.96Å; Y297-L309 HydrophobicContact CE1-CD1 4.38Å; Y297-L309 HydrophobicContact CE2-CB 4.41Å; Y297-L309 HydrophobicContact CG-CB 4.48Å |
| 298 | R | 81.5 | Confident | 81.8 | Confident | 142 Ų | 142 | 68.9 Ų | 68.9 | 54% | 0.536 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 141.3 | 176.4 | -173 | 176 | -178.2 | 173.4 | 5 | 111.4 | L312 | R298-L312 WeakPolarHBondContact O-CD2 3.37Å |
| 299 | C | 87 | Confident | 81.9 | Confident | 5 Ų | 5 | 72.9 Ų | 72.9 | 3% | 0.034 | 35% | 0.351 | C | S | . | . | trans | -73.8 | 138.5 | 170.2 | -171.3 | 0 | 0 | 0 | 0 | 110.9 | Y301 C302 R304 F306 L312 H315 | C299-Y301 VanDerWaalsContact C-N 3.34Å; C299-Y301 PolarHBondContact SG-N 3.03Å; C299-C302 CarbonylContact C-O 3.47Å; C299-C302 WeakPolarHBondContact CB-O 3.13Å; C299-R304 WeakPolarHBondContact CB-O 3.44Å; C299-R304 PolarHBondContact N-O 3.12Å; C299-F306 HydrophobicContact CB-CE2 4.41Å; C299-L312 HydrophobicContact CB-CD1 3.76Å; C299-H315 VanDerWaalsContact SG-CD2 3.56Å | ||
| 300 | S | 86.2 | Confident | 81.9 | Confident | 70 Ų | 70 | 74.3 Ų | 74.3 | 49% | 0.49 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -76.4 | -23.9 | 175.6 | 52.9 | 0 | 0 | 0 | 0 | 112.8 | ||
| 301 | Y | 81.3 | Confident | 82 | Confident | 119 Ų | 119 | 74.3 Ų | 74.3 | 47% | 0.467 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -94.5 | -15.3 | -176.5 | -58.5 | -79.9 | 0 | 0 | 0 | 113.6 | C299 T316 H319 | C299-Y301 VanDerWaalsContact C-N 3.34Å; C299-Y301 PolarHBondContact SG-N 3.03Å; Y301-T316 HydrophobicContact CD2-CG2 4.47Å; Y301-H319 VanDerWaalsContact CB-CG 3.43Å; Y301-H319 WeakPolarHBondContact CB-ND1 3.5Å; Y301-H319 HydrophobicContact CD1-CB 4.27Å; Y301-H319 HydrophobicContact CD2-CB 3.83Å; Y301-H319 HydrophobicContact CE2-CB 4.37Å; Y301-H319 HydrophobicContact CG-CB 3.78Å; Y301-H319 AromaticContact CG-CG 3.77Å |
| 302 | C | 87.1 | Confident | 82.5 | Confident | 39 Ų | 39 | 71.4 Ų | 71.4 | 26% | 0.264 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -155.9 | 169.8 | 177.7 | 67.8 | 0 | 0 | 0 | 0 | 111.6 | C299 R304 H315 H319 | C299-C302 CarbonylContact C-O 3.47Å; C299-C302 WeakPolarHBondContact CB-O 3.13Å; C302-R304 PolarHBondContact O-N 2.65Å; C302-H315 PolarHBondContact SG-NE2 3.36Å; C302-H319 PolarHBondContact SG-NE2 3.03Å; C302-H319 VanDerWaalsContact SG-NE2 3.44Å |
| 303 | E | 85.8 | Confident | 83 | Confident | 164 Ų | 164 | 73.9 Ų | 73.9 | 77% | 0.766 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -76 | 7.1 | -177.2 | -57.7 | -173.3 | 157.8 | 0 | 0 | 114.5 | C305 | E303-C305 PolarHBondContact O-N 3.3Š|
| 304 | R | 81.8 | Confident | 83.5 | Confident | 141 Ų | 141 | 74.5 Ų | 74.5 | 53% | 0.532 | 35% | 0.352 | S | S | . | . | trans | -74 | 129.5 | -179.2 | -71.8 | -174.7 | 165.3 | -168 | -1.6 | 111.3 | C299 C302 F306 | C299-R304 WeakPolarHBondContact CB-O 3.44Å; C299-R304 PolarHBondContact N-O 3.12Å; C302-R304 PolarHBondContact O-N 2.65Å; R304-F306 HydrophobicContact CB-CE2 3.87Å; R304-F306 HydrophobicContact CB-CZ 4.03Å | ||
| 305 | C | 86.1 | Confident | 84 | Confident | 47 Ų | 47 | 73.9 Ų | 73.9 | 32% | 0.318 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 145.3 | 173.2 | -55.2 | 0 | 0 | 0 | 0 | 111.6 | K295 Y297 E303 | K295-C305 HydrophobicContact CB-CB 3.51Å; K295-C305 HydrophobicContact CD-CB 4.11Å; K295-C305 WeakPolarHBondContact CD-O 2.96Å; K295-C305 HydrophobicContact CG-CB 4.41Å; Y297-C305 CarbonylContact O-C 3.53Å; Y297-C305 VanDerWaalsContact O-CA 3.31Å; Y297-C305 WeakPolarHBondContact O-CA 3.45Å; E303-C305 PolarHBondContact O-N 3.3Å |
| 306 | F | 82.4 | Confident | 84.2 | Confident | 41 Ų | 41 | 69.8 Ų | 69.8 | 18% | 0.18 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 149.8 | -175.5 | -61.6 | -88.9 | 0 | 0 | 0 | 110.9 | K295 Y297 C299 R304 Q308 H311 L312 H315 | K295-F306 CarbonylContact C-O 3.53Å; K295-F306 VanDerWaalsContact C-O 3.28Å; K295-F306 WeakPolarHBondContact CA-O 3.42Å; Y297-F306 WeakPolarHBondContact CD2-O 3.35Å; Y297-F306 PolarHBondContact N-O 3.38Å; Y297-F306 VanDerWaalsContact N-O 3.09Å; Y297-F306 PolarHBondContact O-N 3.14Å; C299-F306 HydrophobicContact CB-CE2 4.41Å; R304-F306 HydrophobicContact CB-CE2 3.87Å; R304-F306 HydrophobicContact CB-CZ 4.03Å; F306-Q308 VanDerWaalsContact C-N 3.33Å; F306-H311 HydrophobicContact CB-CB 4.32Å; F306-H311 HydrophobicContact CD1-CB 3.92Å; F306-H311 HydrophobicContact CG-CB 4.4Å; F306-L312 HydrophobicContact CB-CB 4.22Å; F306-L312 HydrophobicContact CD2-CB 3.95Å; F306-L312 HydrophobicContact CD2-CD1 3.76Å; F306-L312 HydrophobicContact CD2-CG 4.46Å; F306-L312 HydrophobicContact CE2-CD1 4Å; F306-L312 HydrophobicContact CG-CB 4.22Å; F306-H315 HydrophobicContact CE1-CB 3.86Å; F306-H315 HydrophobicContact CE2-CB 3.86Å; F306-H315 AromaticContact CE2-CD2 3.28Å; F306-H315 WeakPolarHBondContact CE2-CD2 3.37Å; F306-H315 AromaticContact CE2-CG 3.59Å; F306-H315 AromaticContact CE2-NE2 3.98Å; F306-H315 HydrophobicContact CZ-CB 3.38Å; F306-H315 AromaticContact CZ-CD2 3.35Å; F306-H315 WeakPolarHBondContact CZ-CD2 3.32Å; F306-H315 AromaticContact CZ-CG 3.16Å; F306-H315 AromaticContact CZ-ND1 3.71Å; F306-H315 AromaticContact CZ-NE2 3.94Å |
| 307 | R | 83 | Confident | 84.8 | Confident | 98 Ų | 98 | 71.7 Ų | 71.7 | 37% | 0.37 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -80.4 | -16.1 | 177.3 | -47.8 | -168.8 | -160.5 | 112.2 | 1.4 | 113.1 | R289 L294 K295 | R289-R307 VanDerWaalsContact CZ-O 3.24Å; R289-R307 PolarHBondContact NH1-O 3.5Å; L294-R307 WeakPolarHBondContact O-CG 3.47Å; K295-R307 HydrophobicContact CG-CG 3.92Å |
| 308 | Q | 82.7 | Confident | 85.1 | Confident | 44 Ų | 44 | 73.4 Ų | 73.4 | 21% | 0.206 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -137.9 | 142.7 | -176.3 | -57.2 | -177.4 | 5.7 | 0 | 0 | 110.4 | Q286 F306 S310 H311 L312 | Q286-Q308 HydrophobicContact CG-CG 4.37Å; F306-Q308 VanDerWaalsContact C-N 3.33Å; Q308-S310 VanDerWaalsContact C-N 3.34Å; Q308-S310 PolarHBondContact O-N 2.88Å; Q308-S310 PolarHBondContact OE1-OG 3.4Å; Q308-H311 HydrophobicContact CB-CB 4.42Å; Q308-H311 PolarHBondContact O-N 3.36Å; Q308-H311 PolarHBondContact OE1-CE1 3.03Å; Q308-H311 VanDerWaalsContact OE1-CE1 3.27Å; Q308-H311 PolarHBondContact OE1-NE2 2.78Å; Q308-L312 PolarHBondContact O-N 3.01Å; Q308-L312 VanDerWaalsContact O-N 3.17Å |
| 309 | L | 81.4 | Confident | 85.2 | Confident | 85 Ų | 85 | 70.3 Ų | 70.3 | 45% | 0.445 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.8 | -39 | 178.4 | -177.5 | 62.3 | 0 | 0 | 0 | 112.1 | Y297 H311 L312 Q313 | Y297-L309 HydrophobicContact CD1-CB 4.16Å; Y297-L309 HydrophobicContact CD1-CD1 4.05Å; Y297-L309 HydrophobicContact CE1-CB 3.96Å; Y297-L309 HydrophobicContact CE1-CD1 4.38Å; Y297-L309 HydrophobicContact CE2-CB 4.41Å; Y297-L309 HydrophobicContact CG-CB 4.48Å; L309-H311 VanDerWaalsContact C-N 3.28Å; L309-H311 PolarHBondContact O-N 2.84Å; L309-L312 HydrophobicContact CD1-CD2 4.31Å; L309-L312 WeakPolarHBondContact O-CB 3Å; L309-L312 PolarHBondContact O-N 2.67Å; L309-L312 VanDerWaalsContact O-N 3.12Å; L309-Q313 HydrophobicContact CG-CG 4.47Å; L309-Q313 WeakPolarHBondContact O-CG 3.32Å; L309-Q313 PolarHBondContact O-N 2.87Å |
| 310 | S | 83.9 | Confident | 85.2 | Confident | 63 Ų | 63 | 73.9 Ų | 73.9 | 44% | 0.441 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -57 | -41 | 175.6 | 51.6 | 0 | 0 | 0 | 0 | 112.2 | Q308 Q313 Q314 | Q308-S310 VanDerWaalsContact C-N 3.34Å; Q308-S310 PolarHBondContact O-N 2.88Å; Q308-S310 PolarHBondContact OE1-OG 3.4Å; S310-Q313 PolarHBondContact O-N 2.88Å; S310-Q314 WeakPolarHBondContact O-CB 3.18Å; S310-Q314 PolarHBondContact O-N 3.21Å |
| 311 | H | 86.3 | Confident | 85.1 | Confident | 81 Ų | 81 | 72.9 Ų | 72.9 | 38% | 0.375 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.7 | -37.9 | 176.5 | -63.1 | 164.7 | 0 | 0 | 0 | 112 | F306 Q308 L309 Q314 H315 | F306-H311 HydrophobicContact CB-CB 4.32Å; F306-H311 HydrophobicContact CD1-CB 3.92Å; F306-H311 HydrophobicContact CG-CB 4.4Å; Q308-H311 HydrophobicContact CB-CB 4.42Å; Q308-H311 PolarHBondContact O-N 3.36Å; Q308-H311 PolarHBondContact OE1-CE1 3.03Å; Q308-H311 VanDerWaalsContact OE1-CE1 3.27Å; Q308-H311 PolarHBondContact OE1-NE2 2.78Å; L309-H311 VanDerWaalsContact C-N 3.28Å; L309-H311 PolarHBondContact O-N 2.84Å; H311-Q314 PolarHBondContact O-N 2.74Å; H311-H315 VanDerWaalsContact O-CB 3.28Å; H311-H315 WeakPolarHBondContact O-CB 3.13Å; H311-H315 PolarHBondContact O-N 3.42Å |
| 312 | L | 87.3 | Confident | 85.3 | Confident | 19 Ų | 19 | 71 Ų | 71 | 10% | 0.099 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.6 | -49.5 | 172.4 | 171.8 | 61.3 | 0 | 0 | 0 | 110.6 | R298 C299 F306 Q308 L309 Q314 H315 T316 | R298-L312 WeakPolarHBondContact O-CD2 3.37Å; C299-L312 HydrophobicContact CB-CD1 3.76Å; F306-L312 HydrophobicContact CB-CB 4.22Å; F306-L312 HydrophobicContact CD2-CB 3.95Å; F306-L312 HydrophobicContact CD2-CD1 3.76Å; F306-L312 HydrophobicContact CD2-CG 4.46Å; F306-L312 HydrophobicContact CE2-CD1 4Å; F306-L312 HydrophobicContact CG-CB 4.22Å; Q308-L312 PolarHBondContact O-N 3.01Å; Q308-L312 VanDerWaalsContact O-N 3.17Å; L309-L312 HydrophobicContact CD1-CD2 4.31Å; L309-L312 WeakPolarHBondContact O-CB 3Å; L309-L312 PolarHBondContact O-N 2.67Å; L309-L312 VanDerWaalsContact O-N 3.12Å; L312-Q314 VanDerWaalsContact C-N 3.29Å; L312-Q314 PolarHBondContact O-N 3.26Å; L312-H315 CarbonylContact O-C 3.55Å; L312-H315 WeakPolarHBondContact O-CA 3.4Å; L312-H315 WeakPolarHBondContact O-CB 3.24Å; L312-H315 PolarHBondContact O-N 2.99Å; L312-T316 HydrophobicContact CD1-CG2 4Å; L312-T316 HydrophobicContact CG-CG2 4.38Å; L312-T316 WeakPolarHBondContact O-CG2 3.41Å; L312-T316 PolarHBondContact O-N 3.29Å; L312-T316 PolarHBondContact O-OG1 3.3Å |
| 313 | Q | 85.3 | Confident | 85.3 | Confident | 110 Ų | 110 | 75.4 Ų | 75.4 | 51% | 0.514 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.5 | -37.7 | 178.1 | -72.8 | 178.4 | -23.9 | 0 | 0 | 112.7 | L309 S310 H315 T316 | L309-Q313 HydrophobicContact CG-CG 4.47Å; L309-Q313 WeakPolarHBondContact O-CG 3.32Å; L309-Q313 PolarHBondContact O-N 2.87Å; S310-Q313 PolarHBondContact O-N 2.88Å; Q313-H315 VanDerWaalsContact C-N 3.33Å; Q313-T316 WeakPolarHBondContact CA-OG1 3.47Å; Q313-T316 PolarHBondContact O-OG1 3Å |
| 314 | Q | 86.4 | Confident | 85.3 | Confident | 61 Ų | 61 | 70.7 Ų | 70.7 | 29% | 0.285 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.5 | -38.7 | 173.6 | -179.6 | -178.6 | 59.4 | 0 | 0 | 111.4 | S310 H311 L312 R317 Q338 | S310-Q314 WeakPolarHBondContact O-CB 3.18Å; S310-Q314 PolarHBondContact O-N 3.21Å; H311-Q314 PolarHBondContact O-N 2.74Å; L312-Q314 VanDerWaalsContact C-N 3.29Å; L312-Q314 PolarHBondContact O-N 3.26Å; Q314-R317 WeakPolarHBondContact O-CB 3.32Å; Q314-Q338 HydrophobicContact CG-CG 4.11Å |
| 315 | H | 88.6 | Confident | 85.6 | Confident | 15 Ų | 15 | 67.4 Ų | 67.4 | 7% | 0.069 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -69.5 | -38.8 | 177.6 | 169.4 | 67.6 | 0 | 0 | 0 | 112.6 | C299 C302 F306 H311 L312 Q313 R317 I318 H319 | C299-H315 VanDerWaalsContact SG-CD2 3.56Å; C302-H315 PolarHBondContact SG-NE2 3.36Å; F306-H315 HydrophobicContact CE1-CB 3.86Å; F306-H315 HydrophobicContact CE2-CB 3.86Å; F306-H315 AromaticContact CE2-CD2 3.28Å; F306-H315 WeakPolarHBondContact CE2-CD2 3.37Å; F306-H315 AromaticContact CE2-CG 3.59Å; F306-H315 AromaticContact CE2-NE2 3.98Å; F306-H315 HydrophobicContact CZ-CB 3.38Å; F306-H315 AromaticContact CZ-CD2 3.35Å; F306-H315 WeakPolarHBondContact CZ-CD2 3.32Å; F306-H315 AromaticContact CZ-CG 3.16Å; F306-H315 AromaticContact CZ-ND1 3.71Å; F306-H315 AromaticContact CZ-NE2 3.94Å; H311-H315 VanDerWaalsContact O-CB 3.28Å; H311-H315 WeakPolarHBondContact O-CB 3.13Å; H311-H315 PolarHBondContact O-N 3.42Å; L312-H315 CarbonylContact O-C 3.55Å; L312-H315 WeakPolarHBondContact O-CA 3.4Å; L312-H315 WeakPolarHBondContact O-CB 3.24Å; L312-H315 PolarHBondContact O-N 2.99Å; Q313-H315 VanDerWaalsContact C-N 3.33Å; H315-R317 PolarHBondContact O-N 3.27Å; H315-R317 VanDerWaalsContact O-N 3.15Å; H315-I318 VanDerWaalsContact O-CB 3.25Å; H315-I318 WeakPolarHBondContact O-CB 3.49Å; H315-I318 WeakPolarHBondContact O-CG1 3.38Å; H315-I318 PolarHBondContact O-N 3.37Å; H315-H319 AromaticContact CE1-NE2 3.69Å; H315-H319 AromaticContact NE2-CD2 3.83Å; H315-H319 AromaticContact NE2-NE2 3.37Å; H315-H319 PolarHBondContact NE2-NE2 3.05Å |
| 316 | T | 85.9 | Confident | 85.7 | Confident | 26 Ų | 26 | 72.2 Ų | 72.2 | 16% | 0.16 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61 | -26.1 | 178.8 | 53.1 | 0 | 0 | 0 | 0 | 112.4 | Y301 L312 Q313 I318 H319 T320 | Y301-T316 HydrophobicContact CD2-CG2 4.47Å; L312-T316 HydrophobicContact CD1-CG2 4Å; L312-T316 HydrophobicContact CG-CG2 4.38Å; L312-T316 WeakPolarHBondContact O-CG2 3.41Å; L312-T316 PolarHBondContact O-N 3.29Å; L312-T316 PolarHBondContact O-OG1 3.3Å; Q313-T316 WeakPolarHBondContact CA-OG1 3.47Å; Q313-T316 PolarHBondContact O-OG1 3Å; T316-I318 PolarHBondContact O-N 2.81Å; T316-I318 VanDerWaalsContact O-N 3.15Å; T316-H319 PolarHBondContact O-N 2.94Å; T316-T320 PolarHBondContact O-N 3.45Å; T316-T320 PolarHBondContact O-OG1 3.45Å |
| 317 | R | 89.4 | Confident | 86 | Confident | 59 Ų | 59 | 70.8 Ų | 70.8 | 22% | 0.223 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.6 | -23.5 | 172.2 | -64.3 | 177.2 | -168.7 | 175 | -0.1 | 113.7 | Q314 H315 T320 G321 D322 T337 | Q314-R317 WeakPolarHBondContact O-CB 3.32Å; H315-R317 PolarHBondContact O-N 3.27Å; H315-R317 VanDerWaalsContact O-N 3.15Å; R317-T320 WeakPolarHBondContact CA-OG1 3.41Å; R317-G321 CarbonylContact O-C 3.37Å; R317-G321 WeakPolarHBondContact O-CA 3.29Å; R317-G321 PolarHBondContact O-N 2.74Å; R317-D322 HydrophobicContact CB-CB 4.41Å; R317-D322 HydrophobicContact CG-CB 4.27Å; R317-D322 PolarHBondContact O-N 3.33Å; R317-T337 HydrophobicContact CB-CG2 4.24Å; R317-T337 PolarHBondContact NH1-O 2.88Å |
| 318 | I | 86.8 | Confident | 86.1 | Confident | 112 Ų | 112 | 73.8 Ų | 73.8 | 57% | 0.574 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -70.8 | -37.1 | 175.2 | -57.4 | 174.2 | 0 | 0 | 0 | 110.3 | H315 T316 | H315-I318 VanDerWaalsContact O-CB 3.25Å; H315-I318 WeakPolarHBondContact O-CB 3.49Å; H315-I318 WeakPolarHBondContact O-CG1 3.38Å; H315-I318 PolarHBondContact O-N 3.37Å; T316-I318 PolarHBondContact O-N 2.81Å; T316-I318 VanDerWaalsContact O-N 3.15Å |
| 319 | H | 84.4 | Confident | 86 | Confident | 77 Ų | 77 | 75.4 Ų | 75.4 | 36% | 0.356 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -78.1 | -39.2 | 179.2 | -67.8 | -73.4 | 0 | 0 | 0 | 112.2 | Y301 C302 H315 T316 G321 | Y301-H319 VanDerWaalsContact CB-CG 3.43Å; Y301-H319 WeakPolarHBondContact CB-ND1 3.5Å; Y301-H319 HydrophobicContact CD1-CB 4.27Å; Y301-H319 HydrophobicContact CD2-CB 3.83Å; Y301-H319 HydrophobicContact CE2-CB 4.37Å; Y301-H319 HydrophobicContact CG-CB 3.78Å; Y301-H319 AromaticContact CG-CG 3.77Å; C302-H319 PolarHBondContact SG-NE2 3.03Å; C302-H319 VanDerWaalsContact SG-NE2 3.44Å; H315-H319 AromaticContact CE1-NE2 3.69Å; H315-H319 AromaticContact NE2-CD2 3.83Å; H315-H319 AromaticContact NE2-NE2 3.37Å; H315-H319 PolarHBondContact NE2-NE2 3.05Å; T316-H319 PolarHBondContact O-N 2.94Å; H319-G321 VanDerWaalsContact C-N 3.32Å |
| 320 | T | 86.2 | Confident | 85.9 | Confident | 80 Ų | 80 | 76.5 Ų | 76.5 | 49% | 0.491 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -82.5 | -11.6 | 179.5 | 61.2 | 0 | 0 | 0 | 0 | 113.3 | T316 R317 D322 | T316-T320 PolarHBondContact O-N 3.45Å; T316-T320 PolarHBondContact O-OG1 3.45Å; R317-T320 WeakPolarHBondContact CA-OG1 3.41Å; T320-D322 PolarHBondContact O-N 3.25Å; T320-D322 WeakPolarHBondContact OG1-CB 3.48Å; T320-D322 PolarHBondContact OG1-N 3.28Å |
| 321 | G | 84.1 | Confident | 85.7 | Confident | 50 Ų | 50 | 77.9 Ų | 77.9 | 52% | 0.515 | 42% | 0.422 | S | S | . | . | trans | 67.2 | 13.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | R317 H319 R323 | R317-G321 CarbonylContact O-C 3.37Å; R317-G321 WeakPolarHBondContact O-CA 3.29Å; R317-G321 PolarHBondContact O-N 2.74Å; H319-G321 VanDerWaalsContact C-N 3.32Å; G321-R323 WeakPolarHBondContact O-CG 3.42Å; G321-R323 PolarHBondContact O-N 3.15Å | ||
| 322 | D | 86.3 | Confident | 85.6 | Confident | 78 Ų | 78 | 74.9 Ų | 74.9 | 42% | 0.417 | 41% | 0.409 | S | S | . | . | trans | -68.8 | 119.5 | -177.1 | -180 | 24.4 | 0 | 0 | 0 | 111.4 | R317 T320 P324 | R317-D322 HydrophobicContact CB-CB 4.41Å; R317-D322 HydrophobicContact CG-CB 4.27Å; R317-D322 PolarHBondContact O-N 3.33Å; T320-D322 PolarHBondContact O-N 3.25Å; T320-D322 WeakPolarHBondContact OG1-CB 3.48Å; T320-D322 PolarHBondContact OG1-N 3.28Å; D322-P324 WeakPolarHBondContact O-CD 3.35Å | ||
| 323 | R | 86.7 | Confident | 85.4 | Confident | 132 Ų | 132 | 83.4 Ų | 83.4 | 50% | 0.498 | 45% | 0.449 | S | S | . | . | trans | -125.2 | 75.7 | -177.5 | -63.5 | 173.8 | 93.4 | 119.8 | 0.6 | 109.3 | G321 Y325 A335 F336 T337 | G321-R323 WeakPolarHBondContact O-CG 3.42Å; G321-R323 PolarHBondContact O-N 3.15Å; R323-Y325 PolarHBondContact O-N 2.87Å; R323-A335 HydrophobicContact CB-CB 3.62Å; R323-A335 PolarHBondContact NE-O 2.95Å; R323-A335 PolarHBondContact NH2-O 2.61Å; R323-F336 CarbonylContact C-O 3.47Å; R323-F336 WeakPolarHBondContact CA-O 3.36Å; R323-T337 HydrophobicContact CG-CG2 4.02Å | ||
| 324 | P | 86.1 | Confident | 85.3 | Confident | 65 Ų | 65 | 83.9 Ų | 83.9 | 42% | 0.422 | 45% | 0.449 | S | S | . | . | trans | -68.3 | -18.7 | -172.7 | 25.5 | -33.3 | 0 | 0 | 0 | 113 | D322 | D322-P324 WeakPolarHBondContact O-CD 3.35Š| ||
| 325 | Y | 88.4 | Confident | 85.4 | Confident | 73 Ų | 73 | 81.9 Ų | 81.9 | 29% | 0.286 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 95.5 | -175.6 | -53.9 | -72.7 | 0 | 0 | 0 | 111 | R323 A335 F336 T337 L339 | R323-Y325 PolarHBondContact O-N 2.87Å; Y325-A335 CarbonylContact O-C 3.56Å; Y325-A335 WeakPolarHBondContact O-CA 3.33Å; Y325-F336 PolarHBondContact N-O 3.39Å; Y325-F336 VanDerWaalsContact N-O 3.15Å; Y325-F336 PolarHBondContact O-N 3.41Å; Y325-T337 WeakPolarHBondContact CE2-O 3.35Å; Y325-L339 HydrophobicContact CD1-CB 4.12Å; Y325-L339 HydrophobicContact CD1-CD1 3.96Å; Y325-L339 HydrophobicContact CE1-CB 3.91Å; Y325-L339 HydrophobicContact CE1-CD1 4.23Å; Y325-L339 HydrophobicContact CE2-CB 4.41Å; Y325-L339 HydrophobicContact CG-CB 4.48Å |
| 326 | K | 87.2 | Confident | 85.3 | Confident | 148 Ų | 148 | 82.7 Ų | 82.7 | 64% | 0.643 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 142.2 | 178.4 | -61.4 | -176.3 | -179.8 | -178.7 | 0 | 111.4 | A335 | K326-A335 HydrophobicContact CG-CB 3.93Å |
| 327 | C | 88.7 | Confident | 85.3 | Confident | 11 Ų | 11 | 82.7 Ų | 82.7 | 7% | 0.074 | 45% | 0.447 | C | S | . | . | trans | -71.4 | 133.6 | 166.7 | -164.6 | 0 | 0 | 0 | 0 | 109.1 | C332 K334 L342 H349 | C327-C332 HydrophobicContact CB-CB 4.42Å; C327-K334 VanDerWaalsContact CB-O 3.25Å; C327-K334 WeakPolarHBondContact CB-O 3.28Å; C327-K334 PolarHBondContact N-O 2.8Å; C327-L342 HydrophobicContact CB-CD1 4.03Å; C327-H349 PolarHBondContact SG-NE2 3.24Å | ||
| 328 | L | 85.7 | Confident | 85.2 | Confident | 160 Ų | 160 | 82.5 Ų | 82.5 | 84% | 0.838 | 45% | 0.448 | S | S | * | . | trans | -103.5 | 8.8 | 177 | -62.1 | 173.7 | 0 | 0 | 0 | 111.9 | ||||
| 329 | H | 81.5 | Confident | 85.1 | Confident | 78 Ų | 78 | 81.1 Ų | 81.1 | 36% | 0.361 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -71 | 133.4 | 177.9 | -170.7 | -79.3 | 0 | 0 | 0 | 109.5 | G331 C332 H349 | H329-G331 PolarHBondContact O-N 2.77Å; H329-C332 HydrophobicContact CB-CB 4.1Å; H329-C332 WeakPolarHBondContact O-CB 3.21Å; H329-C332 PolarHBondContact O-N 3.15Å; H329-H349 AromaticContact CD2-CD2 3.98Å; H329-H349 AromaticContact CD2-CG 3.61Å; H329-H349 AromaticContact CG-CD2 3.71Å; H329-H349 AromaticContact CG-CG 3.62Å; H329-H349 AromaticContact CG-ND1 3.86Å; H329-H349 AromaticContact CG-NE2 3.97Å; H329-H349 AromaticContact ND1-ND1 3.85Å |
| 330 | P | 78.1 | Confident | 85 | Confident | 108 Ų | 108 | 80.3 Ų | 80.3 | 70% | 0.701 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 133.5 | 178.8 | 21.1 | -31.5 | 0 | 0 | 0 | 110.8 | C332 | P330-C332 VanDerWaalsContact C-N 3.3Å; P330-C332 PolarHBondContact O-N 3.04Å |
| 331 | G | 79.6 | Confident | 84.9 | Confident | 92 Ų | 92 | 79.9 Ų | 79.9 | 95% | 0.948 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | 7.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | H329 | H329-G331 PolarHBondContact O-N 2.77Š|
| 332 | C | 84.4 | Confident | 85 | Confident | 18 Ų | 18 | 78.1 Ų | 78.1 | 12% | 0.122 | 42% | 0.418 | C | S | . | . | trans | -119.7 | 108.2 | 177.5 | -164.2 | 0 | 0 | 0 | 0 | 112.8 | C327 H329 P330 K334 H345 H349 | C327-C332 HydrophobicContact CB-CB 4.42Å; H329-C332 HydrophobicContact CB-CB 4.1Å; H329-C332 WeakPolarHBondContact O-CB 3.21Å; H329-C332 PolarHBondContact O-N 3.15Å; P330-C332 VanDerWaalsContact C-N 3.3Å; P330-C332 PolarHBondContact O-N 3.04Å; C332-K334 VanDerWaalsContact C-N 3.33Å; C332-K334 PolarHBondContact O-N 3.37Å; C332-H345 PolarHBondContact SG-NE2 3.01Å; C332-H349 PolarHBondContact SG-NE2 3.25Å | ||
| 333 | E | 83.9 | Confident | 84.9 | Confident | 198 Ų | 198 | 76.9 Ų | 76.9 | 93% | 0.925 | 41% | 0.409 | S | S | * | . | trans | -94 | 15.9 | 179.8 | -61.6 | -178 | 177 | 0 | 0 | 113.5 | A335 | E333-A335 PolarHBondContact O-N 3.31Š| ||
| 334 | K | 83.6 | Confident | 84.5 | Confident | 120 Ų | 120 | 71.6 Ų | 71.6 | 52% | 0.522 | 39% | 0.393 | S | S | . | . | trans | -74.5 | 127.9 | -174.7 | -69.9 | 178.9 | -179.3 | 175 | 0 | 111.3 | C327 C332 F336 | C327-K334 VanDerWaalsContact CB-O 3.25Å; C327-K334 WeakPolarHBondContact CB-O 3.28Å; C327-K334 PolarHBondContact N-O 2.8Å; C332-K334 VanDerWaalsContact C-N 3.33Å; C332-K334 PolarHBondContact O-N 3.37Å; K334-F336 HydrophobicContact CB-CE2 3.88Å; K334-F336 HydrophobicContact CB-CZ 3.95Å | ||
| 335 | A | 87.8 | Confident | 84.4 | Confident | 19 Ų | 19 | 69 Ų | 69 | 16% | 0.157 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 155.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R323 Y325 K326 E333 | R323-A335 HydrophobicContact CB-CB 3.62Å; R323-A335 PolarHBondContact NE-O 2.95Å; R323-A335 PolarHBondContact NH2-O 2.61Å; Y325-A335 CarbonylContact O-C 3.56Å; Y325-A335 WeakPolarHBondContact O-CA 3.33Å; K326-A335 HydrophobicContact CG-CB 3.93Å; E333-A335 PolarHBondContact O-N 3.31Å |
| 336 | F | 86.4 | Confident | 83.9 | Confident | 33 Ų | 33 | 69.1 Ų | 69.1 | 15% | 0.145 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 151.7 | -175.5 | -58.7 | -87.9 | 0 | 0 | 0 | 111.4 | R323 Y325 K334 Q338 N341 L342 H345 | R323-F336 CarbonylContact C-O 3.47Å; R323-F336 WeakPolarHBondContact CA-O 3.36Å; Y325-F336 PolarHBondContact N-O 3.39Å; Y325-F336 VanDerWaalsContact N-O 3.15Å; Y325-F336 PolarHBondContact O-N 3.41Å; K334-F336 HydrophobicContact CB-CE2 3.88Å; K334-F336 HydrophobicContact CB-CZ 3.95Å; F336-Q338 VanDerWaalsContact C-N 3.33Å; F336-N341 HydrophobicContact CB-CB 4.2Å; F336-N341 HydrophobicContact CD1-CB 3.88Å; F336-N341 HydrophobicContact CG-CB 4.23Å; F336-L342 HydrophobicContact CB-CB 4.45Å; F336-L342 HydrophobicContact CD2-CB 3.93Å; F336-L342 HydrophobicContact CD2-CD1 3.88Å; F336-L342 HydrophobicContact CE2-CD1 4.07Å; F336-L342 HydrophobicContact CG-CB 4.4Å; F336-H345 HydrophobicContact CE1-CB 4.13Å; F336-H345 HydrophobicContact CE2-CB 3.76Å; F336-H345 AromaticContact CE2-CD2 3.38Å; F336-H345 WeakPolarHBondContact CE2-CD2 3.44Å; F336-H345 AromaticContact CE2-CG 3.63Å; F336-H345 HydrophobicContact CZ-CB 3.41Å; F336-H345 VanDerWaalsContact CZ-CB 3.41Å; F336-H345 AromaticContact CZ-CD2 3.56Å; F336-H345 AromaticContact CZ-CG 3.33Å |
| 337 | T | 85.8 | Confident | 83.6 | Confident | 26 Ų | 26 | 65 Ų | 65 | 16% | 0.16 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -79.6 | -17.2 | 176.1 | 56.1 | 0 | 0 | 0 | 0 | 112.6 | R317 R323 Y325 | R317-T337 HydrophobicContact CB-CG2 4.24Å; R317-T337 PolarHBondContact NH1-O 2.88Å; R323-T337 HydrophobicContact CG-CG2 4.02Å; Y325-T337 WeakPolarHBondContact CE2-O 3.35Å |
| 338 | Q | 86.7 | Confident | 82.9 | Confident | 55 Ų | 55 | 69.5 Ų | 69.5 | 26% | 0.257 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -134.4 | 145.3 | -176.8 | -47.6 | -173.5 | 8.9 | 0 | 0 | 111.6 | Q314 F336 S340 N341 L342 | Q314-Q338 HydrophobicContact CG-CG 4.11Å; F336-Q338 VanDerWaalsContact C-N 3.33Å; Q338-S340 PolarHBondContact OE1-OG 3.49Å; Q338-N341 HydrophobicContact CB-CB 4.4Å; Q338-N341 PolarHBondContact O-N 3.26Å; Q338-L342 PolarHBondContact O-N 3.43Å |
| 339 | L | 85.6 | Confident | 82.5 | Confident | 83 Ų | 83 | 64.6 Ų | 64.6 | 44% | 0.435 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.2 | -41.2 | 178.3 | -178.4 | 63.3 | 0 | 0 | 0 | 112.4 | Y325 N341 L342 Q343 | Y325-L339 HydrophobicContact CD1-CB 4.12Å; Y325-L339 HydrophobicContact CD1-CD1 3.96Å; Y325-L339 HydrophobicContact CE1-CB 3.91Å; Y325-L339 HydrophobicContact CE1-CD1 4.23Å; Y325-L339 HydrophobicContact CE2-CB 4.41Å; Y325-L339 HydrophobicContact CG-CB 4.48Å; L339-N341 PolarHBondContact O-N 3.11Å; L339-L342 HydrophobicContact CD1-CD2 4.36Å; L339-L342 WeakPolarHBondContact O-CB 3.39Å; L339-L342 PolarHBondContact O-N 3.43Å; L339-L342 VanDerWaalsContact O-N 3.08Å; L339-Q343 HydrophobicContact CG-CG 4.4Å; L339-Q343 WeakPolarHBondContact O-CG 3.28Å; L339-Q343 PolarHBondContact O-N 2.92Å |
| 340 | S | 82.5 | Confident | 81.9 | Confident | 60 Ų | 60 | 66.7 Ų | 66.7 | 42% | 0.42 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -55.8 | -39.1 | 176.9 | 49.9 | 0 | 0 | 0 | 0 | 112.3 | Q338 Q343 S344 | Q338-S340 PolarHBondContact OE1-OG 3.49Å; S340-Q343 PolarHBondContact O-N 2.89Å; S340-S344 WeakPolarHBondContact O-CB 3.46Å; S340-S344 PolarHBondContact O-N 2.74Å |
| 341 | N | 84.3 | Confident | 81.4 | Confident | 70 Ų | 70 | 69.9 Ų | 69.9 | 37% | 0.374 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -69.7 | -40.5 | 177.6 | -66.4 | -6.6 | 0 | 0 | 0 | 111.3 | F336 Q338 L339 S344 H345 | F336-N341 HydrophobicContact CB-CB 4.2Å; F336-N341 HydrophobicContact CD1-CB 3.88Å; F336-N341 HydrophobicContact CG-CB 4.23Å; Q338-N341 HydrophobicContact CB-CB 4.4Å; Q338-N341 PolarHBondContact O-N 3.26Å; L339-N341 PolarHBondContact O-N 3.11Å; N341-S344 PolarHBondContact O-N 3.04Å; N341-H345 VanDerWaalsContact O-CB 3.32Å; N341-H345 WeakPolarHBondContact O-CB 3.2Å; N341-H345 PolarHBondContact O-N 2.75Å |
| 342 | L | 85.9 | Confident | 80.9 | Confident | 13 Ų | 13 | 69.6 Ų | 69.6 | 7% | 0.068 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.3 | -47.1 | 172.5 | 173.2 | 63.8 | 0 | 0 | 0 | 111.1 | C327 F336 Q338 L339 S344 H345 Q346 | C327-L342 HydrophobicContact CB-CD1 4.03Å; F336-L342 HydrophobicContact CB-CB 4.45Å; F336-L342 HydrophobicContact CD2-CB 3.93Å; F336-L342 HydrophobicContact CD2-CD1 3.88Å; F336-L342 HydrophobicContact CE2-CD1 4.07Å; F336-L342 HydrophobicContact CG-CB 4.4Å; Q338-L342 PolarHBondContact O-N 3.43Å; L339-L342 HydrophobicContact CD1-CD2 4.36Å; L339-L342 WeakPolarHBondContact O-CB 3.39Å; L339-L342 PolarHBondContact O-N 3.43Å; L339-L342 VanDerWaalsContact O-N 3.08Å; L342-S344 VanDerWaalsContact C-N 3.32Å; L342-S344 PolarHBondContact O-N 3.25Å; L342-H345 CarbonylContact O-C 3.54Å; L342-H345 WeakPolarHBondContact O-CB 2.92Å; L342-H345 PolarHBondContact O-N 3.47Å; L342-H345 VanDerWaalsContact O-N 3.16Å; L342-Q346 HydrophobicContact CD1-CG 4.11Å; L342-Q346 HydrophobicContact CG-CG 4.39Å; L342-Q346 WeakPolarHBondContact O-CG 3.24Å; L342-Q346 PolarHBondContact O-N 3.16Å |
| 343 | Q | 83.3 | Confident | 80.3 | Confident | 52 Ų | 52 | 74 Ų | 74 | 24% | 0.243 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 178.2 | -71.6 | 176.7 | -33 | 0 | 0 | 111.8 | L339 S340 H345 Q346 R347 | L339-Q343 HydrophobicContact CG-CG 4.4Å; L339-Q343 WeakPolarHBondContact O-CG 3.28Å; L339-Q343 PolarHBondContact O-N 2.92Å; S340-Q343 PolarHBondContact O-N 2.89Å; Q343-H345 VanDerWaalsContact C-N 3.34Å; Q343-Q346 PolarHBondContact O-N 2.96Å; Q343-R347 PolarHBondContact O-N 3.49Å |
| 344 | S | 79.8 | Confident | 79.8 | Confident | 21 Ų | 21 | 68 Ų | 68 | 15% | 0.147 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 174.1 | -171.7 | 0 | 0 | 0 | 0 | 112.5 | S340 N341 L342 R347 D366 | S340-S344 WeakPolarHBondContact O-CB 3.46Å; S340-S344 PolarHBondContact O-N 2.74Å; N341-S344 PolarHBondContact O-N 3.04Å; L342-S344 VanDerWaalsContact C-N 3.32Å; L342-S344 PolarHBondContact O-N 3.25Å; S344-R347 VanDerWaalsContact CA-NH2 3.31Å; S344-R347 PolarHBondContact O-N 2.81Å; S344-R347 PolarHBondContact OG-NH2 3.49Å; S344-D366 WeakPolarHBondContact OG-CB 3.38Å |
| 345 | H | 83 | Confident | 79.4 | Confident | 10 Ų | 10 | 65.5 Ų | 65.5 | 5% | 0.046 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.9 | -40.6 | 175.7 | 170.7 | 57.1 | 0 | 0 | 0 | 112.5 | C332 F336 N341 L342 Q343 R347 Q348 H349 | C332-H345 PolarHBondContact SG-NE2 3.01Å; F336-H345 HydrophobicContact CE1-CB 4.13Å; F336-H345 HydrophobicContact CE2-CB 3.76Å; F336-H345 AromaticContact CE2-CD2 3.38Å; F336-H345 WeakPolarHBondContact CE2-CD2 3.44Å; F336-H345 AromaticContact CE2-CG 3.63Å; F336-H345 HydrophobicContact CZ-CB 3.41Å; F336-H345 VanDerWaalsContact CZ-CB 3.41Å; F336-H345 AromaticContact CZ-CD2 3.56Å; F336-H345 AromaticContact CZ-CG 3.33Å; N341-H345 VanDerWaalsContact O-CB 3.32Å; N341-H345 WeakPolarHBondContact O-CB 3.2Å; N341-H345 PolarHBondContact O-N 2.75Å; L342-H345 CarbonylContact O-C 3.54Å; L342-H345 WeakPolarHBondContact O-CB 2.92Å; L342-H345 PolarHBondContact O-N 3.47Å; L342-H345 VanDerWaalsContact O-N 3.16Å; Q343-H345 VanDerWaalsContact C-N 3.34Å; H345-R347 PolarHBondContact O-N 3.21Å; H345-Q348 PolarHBondContact ND1-OE1 3.24Å; H345-Q348 WeakPolarHBondContact O-CB 3.42Å; H345-Q348 WeakPolarHBondContact O-CG 3.43Å; H345-Q348 PolarHBondContact O-N 3.33Å; H345-H349 AromaticContact CD2-NE2 3.98Å; H345-H349 AromaticContact CE1-CE1 3.86Å; H345-H349 AromaticContact CE1-NE2 3.37Å; H345-H349 PolarHBondContact CE1-NE2 2.9Å; H345-H349 AromaticContact NE2-CD2 3.9Å; H345-H349 AromaticContact NE2-CE1 3.92Å; H345-H349 AromaticContact NE2-NE2 3.07Å; H345-H349 PolarHBondContact NE2-NE2 2.94Å |
| 346 | Q | 78.7 | Confident | 78.9 | Confident | 76 Ų | 76 | 71.5 Ų | 71.5 | 36% | 0.355 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61 | -33.4 | 177.9 | -77 | 174.4 | -38.5 | 0 | 0 | 112.6 | L342 Q343 Q348 H349 N350 | L342-Q346 HydrophobicContact CD1-CG 4.11Å; L342-Q346 HydrophobicContact CG-CG 4.39Å; L342-Q346 WeakPolarHBondContact O-CG 3.24Å; L342-Q346 PolarHBondContact O-N 3.16Å; Q343-Q346 PolarHBondContact O-N 2.96Å; Q346-Q348 PolarHBondContact O-N 3.1Å; Q346-H349 PolarHBondContact O-N 3.27Å; Q346-N350 PolarHBondContact O-N 3.42Å |
| 347 | R | 79.9 | Confident | 78.3 | Confident | 63 Ų | 63 | 70 Ų | 70 | 24% | 0.238 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.7 | -22.8 | 174 | -70.3 | -172.1 | -64.1 | -97.5 | 7.9 | 113.2 | Q343 S344 H345 K351 D352 S365 | Q343-R347 PolarHBondContact O-N 3.49Å; S344-R347 VanDerWaalsContact CA-NH2 3.31Å; S344-R347 PolarHBondContact O-N 2.81Å; S344-R347 PolarHBondContact OG-NH2 3.49Å; H345-R347 PolarHBondContact O-N 3.21Å; R347-K351 PolarHBondContact O-N 3.36Å; R347-D352 PolarHBondContact O-N 3.48Å; R347-D352 VanDerWaalsContact O-N 3.13Å; R347-S365 VanDerWaalsContact CZ-O 3.31Å; R347-S365 PolarHBondContact NE-O 3.02Å; R347-S365 PolarHBondContact NH2-O 3.4Å; R347-S365 VanDerWaalsContact NH2-O 3.07Å |
| 348 | Q | 74.7 | Confident | 77.8 | Confident | 105 Ų | 105 | 73.6 Ų | 73.6 | 49% | 0.491 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -70.8 | -34.1 | 174.9 | -56.5 | 176.3 | -18.9 | 0 | 0 | 112.3 | H345 Q346 | H345-Q348 PolarHBondContact ND1-OE1 3.24Å; H345-Q348 WeakPolarHBondContact O-CB 3.42Å; H345-Q348 WeakPolarHBondContact O-CG 3.43Å; H345-Q348 PolarHBondContact O-N 3.33Å; Q346-Q348 PolarHBondContact O-N 3.1Å |
| 349 | H | 76.2 | Confident | 77 | Confident | 57 Ų | 57 | 76.2 Ų | 76.2 | 26% | 0.264 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -70.8 | -43.2 | 176.7 | -65.1 | -52.8 | 0 | 0 | 0 | 111.3 | C327 H329 C332 H345 Q346 K351 | C327-H349 PolarHBondContact SG-NE2 3.24Å; H329-H349 AromaticContact CD2-CD2 3.98Å; H329-H349 AromaticContact CD2-CG 3.61Å; H329-H349 AromaticContact CG-CD2 3.71Å; H329-H349 AromaticContact CG-CG 3.62Å; H329-H349 AromaticContact CG-ND1 3.86Å; H329-H349 AromaticContact CG-NE2 3.97Å; H329-H349 AromaticContact ND1-ND1 3.85Å; C332-H349 PolarHBondContact SG-NE2 3.25Å; H345-H349 AromaticContact CD2-NE2 3.98Å; H345-H349 AromaticContact CE1-CE1 3.86Å; H345-H349 AromaticContact CE1-NE2 3.37Å; H345-H349 PolarHBondContact CE1-NE2 2.9Å; H345-H349 AromaticContact NE2-CD2 3.9Å; H345-H349 AromaticContact NE2-CE1 3.92Å; H345-H349 AromaticContact NE2-NE2 3.07Å; H345-H349 PolarHBondContact NE2-NE2 2.94Å; Q346-H349 PolarHBondContact O-N 3.27Å; H349-K351 PolarHBondContact O-N 3.49Å |
| 350 | N | 69 | Low | 76.5 | Confident | 121 Ų | 121 | 74.9 Ų | 74.9 | 65% | 0.647 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | 1.1 | -176.8 | -62.8 | -0.3 | 0 | 0 | 0 | 113.3 | Q346 D352 | Q346-N350 PolarHBondContact O-N 3.42Å; N350-D352 HydrophobicContact CB-CB 4.35Å; N350-D352 PolarHBondContact O-N 3.4Å |
| 351 | K | 69.2 | Low | 75.9 | Confident | 176 Ų | 176 | 79.9 Ų | 79.9 | 77% | 0.765 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 20.7 | -170.3 | -61.9 | 177.8 | -177.9 | 173.7 | 0 | 113.7 | R347 H349 K353 | R347-K351 PolarHBondContact O-N 3.36Å; H349-K351 PolarHBondContact O-N 3.49Å; K351-K353 PolarHBondContact O-N 2.87Å |
| 352 | D | 68.9 | Low | 75.1 | Confident | 85 Ų | 85 | 81.4 Ų | 81.4 | 46% | 0.455 | 40% | 0.399 | S | S | . | . | trans | -76.3 | 119.3 | -179.7 | -175.4 | 10 | 0 | 0 | 0 | 109.2 | R347 N350 P354 | R347-D352 PolarHBondContact O-N 3.48Å; R347-D352 VanDerWaalsContact O-N 3.13Å; N350-D352 HydrophobicContact CB-CB 4.35Å; N350-D352 PolarHBondContact O-N 3.4Å; D352-P354 WeakPolarHBondContact O-CD 3.44Å | ||
| 353 | K | 70.4 | Confident | 74.4 | Confident | 112 Ų | 112 | 82 Ų | 82 | 49% | 0.487 | 41% | 0.406 | S | S | . | . | trans | -128.4 | 77.7 | -174.6 | -67.2 | 171.1 | 175 | -173.6 | 0 | 109.2 | K351 F355 A363 Y364 | K351-K353 PolarHBondContact O-N 2.87Å; K353-F355 PolarHBondContact O-N 3.47Å; K353-A363 HydrophobicContact CB-CB 3.43Å; K353-A363 VanDerWaalsContact CB-CB 3.43Å; K353-A363 HydrophobicContact CD-CB 3.98Å; K353-A363 WeakPolarHBondContact CD-O 3.45Å; K353-A363 HydrophobicContact CG-CB 4.32Å; K353-Y364 CarbonylContact C-O 3.56Å; K353-Y364 VanDerWaalsContact CA-O 3.32Å; K353-Y364 WeakPolarHBondContact CA-O 3.31Å | ||
| 354 | P | 74.8 | Confident | 74 | Confident | 71 Ų | 71 | 81.1 Ų | 81.1 | 46% | 0.461 | 40% | 0.401 | S | S | . | . | trans | -71.1 | -20.5 | -175.8 | 26.1 | -32.4 | 0 | 0 | 0 | 112.7 | D352 K356 | D352-P354 WeakPolarHBondContact O-CD 3.44Å; P354-K356 PolarHBondContact O-N 3.45Å | ||
| 355 | F | 75.5 | Confident | 73.7 | Confident | 67 Ų | 67 | 81.1 Ų | 81.1 | 29% | 0.294 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 99.2 | -174.7 | -58.1 | -74.9 | 0 | 0 | 0 | 111.1 | K353 A363 Y364 D366 L370 | K353-F355 PolarHBondContact O-N 3.47Å; F355-A363 CarbonylContact O-C 3.54Å; F355-A363 WeakPolarHBondContact O-CA 3.48Å; F355-Y364 PolarHBondContact N-O 3.31Å; F355-Y364 PolarHBondContact O-N 3.39Å; F355-D366 VanDerWaalsContact CD2-C 3.42Å; F355-D366 VanDerWaalsContact CD2-CA 3.48Å; F355-L370 HydrophobicContact CB-CB 4.19Å; F355-L370 HydrophobicContact CB-CD2 3.89Å |
| 356 | K | 75.7 | Confident | 73.5 | Confident | 146 Ų | 146 | 82 Ų | 82 | 64% | 0.635 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 139 | 178 | -63.1 | -179.3 | -177.3 | 177.7 | 0 | 111.4 | P354 R362 A363 | P354-K356 PolarHBondContact O-N 3.45Å; K356-R362 CarbonylContact C-O 3.49Å; K356-R362 WeakPolarHBondContact CA-O 3.3Å; K356-A363 HydrophobicContact CG-CB 3.89Å |
| 357 | C | 75.1 | Confident | 73.6 | Confident | 1 Ų | 1 | 81.7 Ų | 81.7 | 1% | 0.007 | 41% | 0.411 | C | S | . | . | trans | -77.6 | 126.2 | 170.9 | 179 | 0 | 0 | 0 | 0 | 110 | N359 C360 F361 R362 Y364 L370 H373 | C357-N359 VanDerWaalsContact C-N 3.27Å; C357-N359 PolarHBondContact O-N 2.94Å; C357-N359 PolarHBondContact SG-N 3.12Å; C357-N359 VanDerWaalsContact SG-N 3.43Å; C357-C360 VanDerWaalsContact SG-SG 3.65Å; C357-F361 WeakPolarHBondContact O-CA 2.98Å; C357-F361 PolarHBondContact O-N 3.13Å; C357-R362 PolarHBondContact N-O 3.27Å; C357-Y364 HydrophobicContact CB-CE2 4.36Å; C357-L370 HydrophobicContact CB-CD1 3.74Å; C357-H373 VanDerWaalsContact SG-CD2 3.54Å; C357-H373 PolarHBondContact SG-NE2 3.08Å | ||
| 358 | S | 73.8 | Confident | 73.6 | Confident | 101 Ų | 101 | 81.3 Ų | 81.3 | 71% | 0.706 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -23.3 | 177.7 | -50.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 359 | N | 70.8 | Confident | 73.8 | Confident | 110 Ų | 110 | 78.4 Ų | 78.4 | 59% | 0.588 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -33.8 | -175.9 | -66.3 | 37.7 | 0 | 0 | 0 | 113.1 | C357 | C357-N359 VanDerWaalsContact C-N 3.27Å; C357-N359 PolarHBondContact O-N 2.94Å; C357-N359 PolarHBondContact SG-N 3.12Å; C357-N359 VanDerWaalsContact SG-N 3.43Å |
| 360 | C | 75.4 | Confident | 74 | Confident | 56 Ų | 56 | 76.5 Ų | 76.5 | 38% | 0.378 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.8 | 9.9 | -176.9 | 71.6 | 0 | 0 | 0 | 0 | 113.9 | C357 R362 H373 | C357-C360 VanDerWaalsContact SG-SG 3.65Å; C360-R362 PolarHBondContact O-N 3.04Å; C360-H373 VanDerWaalsContact SG-CE1 3.5Å; C360-H373 PolarHBondContact SG-NE2 2.85Å |
| 361 | F | 69.4 | Low | 74.5 | Confident | 165 Ų | 165 | 76.4 Ų | 76.4 | 72% | 0.724 | 40% | 0.401 | S | S | * | . | trans | 58.6 | 9.2 | 176.1 | -56.3 | -76.9 | 0 | 0 | 0 | 115.9 | C357 | C357-F361 WeakPolarHBondContact O-CA 2.98Å; C357-F361 PolarHBondContact O-N 3.13Å | ||
| 362 | R | 67.1 | Low | 74.9 | Confident | 102 Ų | 102 | 73.8 Ų | 73.8 | 39% | 0.385 | 39% | 0.394 | S | S | . | . | trans | -72.7 | 136.2 | 178.5 | -168.8 | 165.4 | 175.5 | 125.5 | -7 | 111.3 | K356 C357 C360 Y364 C390 G391 | K356-R362 CarbonylContact C-O 3.49Å; K356-R362 WeakPolarHBondContact CA-O 3.3Å; C357-R362 PolarHBondContact N-O 3.27Å; C360-R362 PolarHBondContact O-N 3.04Å; R362-Y364 HydrophobicContact CB-CE2 4.04Å; R362-Y364 WeakPolarHBondContact CD-OH 3.44Å; R362-Y364 HydrophobicContact CG-CE2 4.03Å; R362-Y364 WeakPolarHBondContact O-CD2 3.26Å; R362-Y364 WeakPolarHBondContact O-CE2 3.19Å; R362-C390 PolarHBondContact NH2-O 2.8Å; R362-G391 VanDerWaalsContact NH1-C 3.34Å; R362-G391 PolarHBondContact NH1-O 3.24Å; R362-G391 PolarHBondContact NH2-O 3.24Å | ||
| 363 | A | 72.1 | Confident | 75.3 | Confident | 25 Ų | 25 | 70.5 Ų | 70.5 | 21% | 0.207 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 142.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K353 F355 K356 | K353-A363 HydrophobicContact CB-CB 3.43Å; K353-A363 VanDerWaalsContact CB-CB 3.43Å; K353-A363 HydrophobicContact CD-CB 3.98Å; K353-A363 WeakPolarHBondContact CD-O 3.45Å; K353-A363 HydrophobicContact CG-CB 4.32Å; F355-A363 CarbonylContact O-C 3.54Å; F355-A363 WeakPolarHBondContact O-CA 3.48Å; K356-A363 HydrophobicContact CG-CB 3.89Å |
| 364 | Y | 74 | Confident | 75.6 | Confident | 34 Ų | 34 | 67.4 Ų | 67.4 | 13% | 0.133 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 149.1 | -175.8 | -61.7 | -92.1 | 0 | 0 | 0 | 110.8 | K353 F355 C357 R362 D366 L370 H373 | K353-Y364 CarbonylContact C-O 3.56Å; K353-Y364 VanDerWaalsContact CA-O 3.32Å; K353-Y364 WeakPolarHBondContact CA-O 3.31Å; F355-Y364 PolarHBondContact N-O 3.31Å; F355-Y364 PolarHBondContact O-N 3.39Å; C357-Y364 HydrophobicContact CB-CE2 4.36Å; R362-Y364 HydrophobicContact CB-CE2 4.04Å; R362-Y364 WeakPolarHBondContact CD-OH 3.44Å; R362-Y364 HydrophobicContact CG-CE2 4.03Å; R362-Y364 WeakPolarHBondContact O-CD2 3.26Å; R362-Y364 WeakPolarHBondContact O-CE2 3.19Å; Y364-D366 VanDerWaalsContact C-N 3.29Å; Y364-L370 HydrophobicContact CD2-CB 4.01Å; Y364-L370 HydrophobicContact CD2-CD1 3.7Å; Y364-L370 HydrophobicContact CD2-CG 4.44Å; Y364-L370 HydrophobicContact CE2-CD1 3.89Å; Y364-L370 HydrophobicContact CG-CB 4.19Å; Y364-H373 HydrophobicContact CE1-CB 4Å; Y364-H373 HydrophobicContact CE2-CB 4.11Å; Y364-H373 AromaticContact CE2-CD2 3.65Å; Y364-H373 AromaticContact CE2-CG 3.9Å; Y364-H373 AromaticContact CZ-CD2 3.7Å; Y364-H373 AromaticContact CZ-CG 3.46Å; Y364-H373 VanDerWaalsContact CZ-CG 3.46Å; Y364-H373 WeakPolarHBondContact OH-CB 3.04Å; Y364-H373 PolarHBondContact OH-CD2 3.07Å; Y364-H373 VanDerWaalsContact OH-CD2 3.25Å; Y364-H373 PolarHBondContact OH-CE1 3Å; Y364-H373 PolarHBondContact OH-ND1 3.48Å |
| 365 | S | 75.1 | Confident | 75.7 | Confident | 21 Ų | 21 | 67 Ų | 67 | 15% | 0.147 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -74.5 | -18 | 177.2 | 46.6 | 0 | 0 | 0 | 0 | 113.1 | R347 | R347-S365 VanDerWaalsContact CZ-O 3.31Å; R347-S365 PolarHBondContact NE-O 3.02Å; R347-S365 PolarHBondContact NH2-O 3.4Å; R347-S365 VanDerWaalsContact NH2-O 3.07Å |
| 366 | D | 78.4 | Confident | 75.5 | Confident | 29 Ų | 29 | 64.8 Ų | 64.8 | 16% | 0.155 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -149.4 | 150.8 | -174.3 | 64.3 | -56.6 | 0 | 0 | 0 | 111.9 | S344 F355 Y364 A368 S369 L370 | S344-D366 WeakPolarHBondContact OG-CB 3.38Å; F355-D366 VanDerWaalsContact CD2-C 3.42Å; F355-D366 VanDerWaalsContact CD2-CA 3.48Å; Y364-D366 VanDerWaalsContact C-N 3.29Å; D366-A368 VanDerWaalsContact C-N 3.32Å; D366-A368 PolarHBondContact O-N 2.91Å; D366-S369 PolarHBondContact O-N 3.07Å; D366-S369 WeakPolarHBondContact OD1-CB 3.43Å; D366-S369 PolarHBondContact OD1-OG 3.17Å; D366-S369 PolarHBondContact OD2-N 3.18Å; D366-S369 VanDerWaalsContact OD2-N 3.14Å; D366-S369 PolarHBondContact OD2-OG 3.41Å; D366-L370 PolarHBondContact O-N 2.86Å |
| 367 | S | 80.7 | Confident | 75.1 | Confident | 68 Ų | 68 | 60.6 Ų | 60.6 | 48% | 0.476 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.7 | -34.8 | -177.4 | 59.4 | 0 | 0 | 0 | 0 | 112.3 | L370 Q371 | S367-L370 PolarHBondContact O-N 3.34Å; S367-Q371 WeakPolarHBondContact O-CG 3.25Å; S367-Q371 PolarHBondContact O-N 3.43Å |
| 368 | A | 78.7 | Confident | 74.6 | Confident | 55 Ų | 55 | 64.3 Ų | 64.3 | 46% | 0.455 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | D366 L370 Q371 I372 | D366-A368 VanDerWaalsContact C-N 3.32Å; D366-A368 PolarHBondContact O-N 2.91Å; A368-L370 VanDerWaalsContact C-N 3.31Å; A368-L370 PolarHBondContact O-N 3.41Å; A368-Q371 PolarHBondContact O-N 3.46Å; A368-Q371 VanDerWaalsContact O-N 3.15Å; A368-I372 WeakPolarHBondContact O-CG1 3.38Å; A368-I372 PolarHBondContact O-N 2.82Å |
| 369 | S | 79.1 | Confident | 74.2 | Confident | 45 Ų | 45 | 64 Ų | 64 | 32% | 0.315 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.7 | -39.2 | 173.5 | -63.2 | 0 | 0 | 0 | 0 | 113.2 | D366 H373 | D366-S369 PolarHBondContact O-N 3.07Å; D366-S369 WeakPolarHBondContact OD1-CB 3.43Å; D366-S369 PolarHBondContact OD1-OG 3.17Å; D366-S369 PolarHBondContact OD2-N 3.18Å; D366-S369 VanDerWaalsContact OD2-N 3.14Å; D366-S369 PolarHBondContact OD2-OG 3.41Å; S369-H373 WeakPolarHBondContact O-CB 3.42Å; S369-H373 PolarHBondContact O-N 3.06Å |
| 370 | L | 80.7 | Confident | 73.5 | Confident | 17 Ų | 17 | 67.4 Ų | 67.4 | 9% | 0.089 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.1 | -43.5 | 173.3 | 174.7 | 63.2 | 0 | 0 | 0 | 111.2 | F355 C357 Y364 D366 S367 A368 H373 L374 | F355-L370 HydrophobicContact CB-CB 4.19Å; F355-L370 HydrophobicContact CB-CD2 3.89Å; C357-L370 HydrophobicContact CB-CD1 3.74Å; Y364-L370 HydrophobicContact CD2-CB 4.01Å; Y364-L370 HydrophobicContact CD2-CD1 3.7Å; Y364-L370 HydrophobicContact CD2-CG 4.44Å; Y364-L370 HydrophobicContact CE2-CD1 3.89Å; Y364-L370 HydrophobicContact CG-CB 4.19Å; D366-L370 PolarHBondContact O-N 2.86Å; S367-L370 PolarHBondContact O-N 3.34Å; A368-L370 VanDerWaalsContact C-N 3.31Å; A368-L370 PolarHBondContact O-N 3.41Å; L370-H373 CarbonylContact O-C 3.58Å; L370-H373 WeakPolarHBondContact O-CA 3.22Å; L370-H373 WeakPolarHBondContact O-CB 3.25Å; L370-H373 PolarHBondContact O-N 3Å; L370-H373 VanDerWaalsContact O-N 3.15Å; L370-L374 HydrophobicContact CD1-CD1 4.12Å; L370-L374 HydrophobicContact CD1-CD2 4.38Å; L370-L374 HydrophobicContact CD1-CG 3.94Å; L370-L374 HydrophobicContact CD2-CD1 4.36Å; L370-L374 HydrophobicContact CG-CD1 3.86Å; L370-L374 HydrophobicContact CG-CG 4.15Å; L370-L374 WeakPolarHBondContact O-CB 3.49Å; L370-L374 VanDerWaalsContact O-CG 3.29Å; L370-L374 WeakPolarHBondContact O-CG 3.36Å; L370-L374 PolarHBondContact O-N 3.3Å |
| 371 | Q | 80.1 | Confident | 72.1 | Confident | 119 Ų | 119 | 72.7 Ų | 72.7 | 56% | 0.556 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -64.5 | -41.1 | 179.5 | -69.9 | -58.1 | -44.1 | 0 | 0 | 112.4 | S367 A368 H373 L374 S375 | S367-Q371 WeakPolarHBondContact O-CG 3.25Å; S367-Q371 PolarHBondContact O-N 3.43Å; A368-Q371 PolarHBondContact O-N 3.46Å; A368-Q371 VanDerWaalsContact O-N 3.15Å; Q371-H373 VanDerWaalsContact C-N 3.28Å; Q371-H373 PolarHBondContact O-N 3.3Å; Q371-L374 PolarHBondContact O-N 3.11Å; Q371-S375 PolarHBondContact O-N 3.45Å |
| 372 | I | 77.1 | Confident | 71.2 | Confident | 120 Ų | 120 | 67.1 Ų | 67.1 | 62% | 0.615 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -59.2 | -44.5 | 171.9 | -66.8 | 166.3 | 0 | 0 | 0 | 109.8 | A368 S375 A376 | A368-I372 WeakPolarHBondContact O-CG1 3.38Å; A368-I372 PolarHBondContact O-N 2.82Å; I372-S375 PolarHBondContact O-N 3.48Å; I372-S375 PolarHBondContact O-OG 3.4Å; I372-A376 PolarHBondContact O-N 3.48Å |
| 373 | H | 77.6 | Confident | 70.5 | Confident | 16 Ų | 16 | 70.4 Ų | 70.4 | 7% | 0.074 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 176.4 | 171 | 67.7 | 0 | 0 | 0 | 113.4 | C357 C360 Y364 S369 L370 Q371 S375 A376 H377 | C357-H373 VanDerWaalsContact SG-CD2 3.54Å; C357-H373 PolarHBondContact SG-NE2 3.08Å; C360-H373 VanDerWaalsContact SG-CE1 3.5Å; C360-H373 PolarHBondContact SG-NE2 2.85Å; Y364-H373 HydrophobicContact CE1-CB 4Å; Y364-H373 HydrophobicContact CE2-CB 4.11Å; Y364-H373 AromaticContact CE2-CD2 3.65Å; Y364-H373 AromaticContact CE2-CG 3.9Å; Y364-H373 AromaticContact CZ-CD2 3.7Å; Y364-H373 AromaticContact CZ-CG 3.46Å; Y364-H373 VanDerWaalsContact CZ-CG 3.46Å; Y364-H373 WeakPolarHBondContact OH-CB 3.04Å; Y364-H373 PolarHBondContact OH-CD2 3.07Å; Y364-H373 VanDerWaalsContact OH-CD2 3.25Å; Y364-H373 PolarHBondContact OH-CE1 3Å; Y364-H373 PolarHBondContact OH-ND1 3.48Å; S369-H373 WeakPolarHBondContact O-CB 3.42Å; S369-H373 PolarHBondContact O-N 3.06Å; L370-H373 CarbonylContact O-C 3.58Å; L370-H373 WeakPolarHBondContact O-CA 3.22Å; L370-H373 WeakPolarHBondContact O-CB 3.25Å; L370-H373 PolarHBondContact O-N 3Å; L370-H373 VanDerWaalsContact O-N 3.15Å; Q371-H373 VanDerWaalsContact C-N 3.28Å; Q371-H373 PolarHBondContact O-N 3.3Å; H373-S375 VanDerWaalsContact C-N 3.28Å; H373-S375 PolarHBondContact O-N 2.94Å; H373-A376 WeakPolarHBondContact O-CB 3.28Å; H373-A376 PolarHBondContact O-N 3.45Å; H373-A376 VanDerWaalsContact O-N 3.11Å; H373-H377 AromaticContact CD2-CD2 3.96Å; H373-H377 AromaticContact CD2-NE2 3.86Å; H373-H377 AromaticContact CE1-CD2 3.8Å; H373-H377 AromaticContact CE1-NE2 3.16Å; H373-H377 PolarHBondContact CE1-NE2 2.91Å; H373-H377 AromaticContact NE2-CD2 3.47Å; H373-H377 PolarHBondContact NE2-CD2 3.38Å; H373-H377 AromaticContact NE2-NE2 2.92Å; H373-H377 PolarHBondContact NE2-NE2 2.84Å; H373-H377 PolarHBondContact O-N 3.27Å |
| 374 | L | 77.3 | Confident | 69.9 | Low | 47 Ų | 47 | 72.2 Ų | 72.2 | 25% | 0.246 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -64.8 | -33.2 | 176.5 | -70.6 | 173.2 | 0 | 0 | 0 | 111.8 | L370 Q371 A376 H377 A378 | L370-L374 HydrophobicContact CD1-CD1 4.12Å; L370-L374 HydrophobicContact CD1-CD2 4.38Å; L370-L374 HydrophobicContact CD1-CG 3.94Å; L370-L374 HydrophobicContact CD2-CD1 4.36Å; L370-L374 HydrophobicContact CG-CD1 3.86Å; L370-L374 HydrophobicContact CG-CG 4.15Å; L370-L374 WeakPolarHBondContact O-CB 3.49Å; L370-L374 VanDerWaalsContact O-CG 3.29Å; L370-L374 WeakPolarHBondContact O-CG 3.36Å; L370-L374 PolarHBondContact O-N 3.3Å; Q371-L374 PolarHBondContact O-N 3.11Å; L374-A376 PolarHBondContact O-N 3.34Å; L374-H377 WeakPolarHBondContact O-CB 3.28Å; L374-H377 PolarHBondContact O-N 3.43Å; L374-A378 PolarHBondContact O-N 2.76Å |
| 375 | S | 76.5 | Confident | 69.5 | Low | 62 Ų | 62 | 72.9 Ų | 72.9 | 43% | 0.434 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.9 | -30.1 | 173.6 | 77.9 | 0 | 0 | 0 | 0 | 112.5 | Q371 I372 H373 H377 A378 | Q371-S375 PolarHBondContact O-N 3.45Å; I372-S375 PolarHBondContact O-N 3.48Å; I372-S375 PolarHBondContact O-OG 3.4Å; H373-S375 VanDerWaalsContact C-N 3.28Å; H373-S375 PolarHBondContact O-N 2.94Å; S375-H377 VanDerWaalsContact C-N 3.33Å; S375-A378 PolarHBondContact O-N 2.93Å |
| 376 | A | 70.6 | Confident | 68.9 | Low | 21 Ų | 21 | 75 Ų | 75 | 17% | 0.174 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -71.3 | -26.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I372 H373 L374 A393 | I372-A376 PolarHBondContact O-N 3.48Å; H373-A376 WeakPolarHBondContact O-CB 3.28Å; H373-A376 PolarHBondContact O-N 3.45Å; H373-A376 VanDerWaalsContact O-N 3.11Å; L374-A376 PolarHBondContact O-N 3.34Å; A376-A393 HydrophobicContact CB-CB 4.49Å |
| 377 | H | 66.9 | Low | 68.4 | Low | 59 Ų | 59 | 73.6 Ų | 73.6 | 27% | 0.273 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -78.1 | -27 | 171.7 | -71.1 | -68.7 | 0 | 0 | 0 | 112.8 | H373 L374 S375 I379 | H373-H377 AromaticContact CD2-CD2 3.96Å; H373-H377 AromaticContact CD2-NE2 3.86Å; H373-H377 AromaticContact CE1-CD2 3.8Å; H373-H377 AromaticContact CE1-NE2 3.16Å; H373-H377 PolarHBondContact CE1-NE2 2.91Å; H373-H377 AromaticContact NE2-CD2 3.47Å; H373-H377 PolarHBondContact NE2-CD2 3.38Å; H373-H377 AromaticContact NE2-NE2 2.92Å; H373-H377 PolarHBondContact NE2-NE2 2.84Å; H373-H377 PolarHBondContact O-N 3.27Å; L374-H377 WeakPolarHBondContact O-CB 3.28Å; L374-H377 PolarHBondContact O-N 3.43Å; S375-H377 VanDerWaalsContact C-N 3.33Å; H377-I379 VanDerWaalsContact C-N 3.31Å; H377-I379 PolarHBondContact O-N 3.01Å |
| 378 | A | 66.4 | Low | 67.5 | Low | 78 Ų | 78 | 75.4 Ų | 75.4 | 65% | 0.645 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -73.4 | -21 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L374 S375 K380 | L374-A378 PolarHBondContact O-N 2.76Å; S375-A378 PolarHBondContact O-N 2.93Å; A378-K380 PolarHBondContact O-N 3.4Å |
| 379 | I | 64.3 | Low | 66.7 | Low | 95 Ų | 95 | 79.3 Ų | 79.3 | 49% | 0.487 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -79.5 | 72.9 | 174.2 | -52.2 | 168.4 | 0 | 0 | 0 | 108.2 | H377 N381 A382 | H377-I379 VanDerWaalsContact C-N 3.31Å; H377-I379 PolarHBondContact O-N 3.01Å; I379-N381 PolarHBondContact O-N 3.46Å; I379-N381 VanDerWaalsContact O-N 3.11Å; I379-A382 HydrophobicContact CG2-CB 4.02Å; I379-A382 PolarHBondContact O-N 3.33Å |
| 380 | K | 55.8 | Low | 66.4 | Low | 182 Ų | 182 | 78.8 Ų | 78.8 | 79% | 0.791 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 117.7 | 174.4 | -76.7 | 179.6 | 174.9 | -179.7 | 0 | 109.2 | A378 | A378-K380 PolarHBondContact O-N 3.4Š|
| 381 | N | 47.2 | Very low | 65.5 | Low | 167 Ų | 167 | 78.9 Ų | 78.9 | 89% | 0.893 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.7 | 2.5 | 174.4 | -52.4 | -54.3 | 0 | 0 | 0 | 119.3 | I379 | I379-N381 PolarHBondContact O-N 3.46Å; I379-N381 VanDerWaalsContact O-N 3.11Å |
| 382 | A | 50.8 | Low | 64.7 | Low | 48 Ų | 48 | 80.1 Ų | 80.1 | 40% | 0.397 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -93.1 | 114.8 | 157.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | I379 A384 | I379-A382 HydrophobicContact CG2-CB 4.02Å; I379-A382 PolarHBondContact O-N 3.33Å; A382-A384 PolarHBondContact O-N 3.45Å |
| 383 | K | 52.2 | Low | 64.1 | Low | 170 Ų | 170 | 76.2 Ų | 76.2 | 74% | 0.739 | 43% | 0.429 | S | S | * | . | trans | -37.7 | 115.3 | 171.3 | -75.8 | 172.6 | 176.6 | 174.2 | 0 | 108.6 | Y385 | K383-Y385 HydrophobicContact CB-CE1 4.3Å; K383-Y385 HydrophobicContact CB-CE2 4.49Å; K383-Y385 WeakPolarHBondContact O-CD2 3.44Å; K383-Y385 WeakPolarHBondContact O-CE2 3.44Å; K383-Y385 PolarHBondContact O-N 3.29Å | ||
| 384 | A | 59 | Low | 63.7 | Low | 63 Ų | 63 | 77.7 Ų | 77.7 | 52% | 0.521 | 43% | 0.434 | S | S | . | . | trans | -59.7 | 107.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 108 | A382 C386 | A382-A384 PolarHBondContact O-N 3.45Å; A384-C386 VanDerWaalsContact C-N 3.27Å; A384-C386 PolarHBondContact O-N 3.34Å | ||
| 385 | Y | 65.6 | Low | 63.1 | Low | 48 Ų | 48 | 80.4 Ų | 80.4 | 19% | 0.188 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 83.4 | -177.1 | -67.6 | -72.6 | 0 | 0 | 0 | 108.9 | K383 Y394 S396 E397 L400 | K383-Y385 HydrophobicContact CB-CE1 4.3Å; K383-Y385 HydrophobicContact CB-CE2 4.49Å; K383-Y385 WeakPolarHBondContact O-CD2 3.44Å; K383-Y385 WeakPolarHBondContact O-CE2 3.44Å; K383-Y385 PolarHBondContact O-N 3.29Å; Y385-Y394 PolarHBondContact O-N 3.11Å; Y385-S396 VanDerWaalsContact CD2-C 3.44Å; Y385-E397 HydrophobicContact CD1-CB 3.73Å; Y385-E397 HydrophobicContact CD1-CG 3.76Å; Y385-E397 HydrophobicContact CD2-CB 4.27Å; Y385-E397 HydrophobicContact CE1-CB 3.34Å; Y385-E397 HydrophobicContact CE1-CG 3.36Å; Y385-E397 WeakPolarHBondContact CE1-OE2 3.43Å; Y385-E397 HydrophobicContact CE2-CB 3.93Å; Y385-E397 HydrophobicContact CG-CB 4.17Å; Y385-E397 VanDerWaalsContact CZ-CB 3.43Å; Y385-E397 VanDerWaalsContact CZ-OE2 3.29Å; Y385-E397 PolarHBondContact OH-OE2 3.5Å; Y385-L400 HydrophobicContact CD1-CD2 4.07Å; Y385-L400 HydrophobicContact CG-CD2 4.44Å |
| 386 | C | 61.9 | Low | 62.6 | Low | 65 Ų | 65 | 79.1 Ų | 79.1 | 44% | 0.439 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 127.6 | 178 | -67.5 | 0 | 0 | 0 | 0 | 109.7 | A384 S388 R392 | A384-C386 VanDerWaalsContact C-N 3.27Å; A384-C386 PolarHBondContact O-N 3.34Å; C386-S388 PolarHBondContact O-N 3.3Å; C386-R392 WeakPolarHBondContact CA-O 3.35Å |
| 387 | C | 68.5 | Low | 62.4 | Low | 1 Ų | 1 | 83 Ų | 83 | 1% | 0.007 | 46% | 0.458 | C | S | . | . | trans | -62.1 | 114.9 | 168 | 161.1 | 0 | 0 | 0 | 0 | 109.6 | M389 C390 G391 R392 Y394 L400 H403 M404 H407 | C387-M389 VanDerWaalsContact C-N 3.26Å; C387-M389 PolarHBondContact O-N 2.76Å; C387-C390 HydrophobicContact CB-CB 4.47Å; C387-C390 WeakPolarHBondContact CB-SG 3.34Å; C387-C390 PolarHBondContact O-N 3.24Å; C387-C390 WeakPolarHBondContact SG-CB 3.4Å; C387-C390 PolarHBondContact SG-N 3.32Å; C387-C390 CovalentContact SG-SG 2.07Å; C387-C390 PolarHBondContact SG-SG 2.9Å; C387-G391 WeakPolarHBondContact O-CA 3.22Å; C387-G391 PolarHBondContact O-N 2.78Å; C387-R392 HydrophobicContact CB-CB 4.42Å; C387-R392 PolarHBondContact N-O 3.39Å; C387-Y394 HydrophobicContact CB-CE2 4.17Å; C387-L400 HydrophobicContact CB-CD1 3.86Å; C387-H403 PolarHBondContact SG-NE2 2.88Å; C387-H403 VanDerWaalsContact SG-NE2 3.38Å; C387-M404 HydrophobicContact CB-CE 4.25Å; C387-H407 PolarHBondContact SG-NE2 3.07Å | ||
| 388 | S | 62.4 | Low | 62.7 | Low | 105 Ų | 105 | 84.2 Ų | 84.2 | 73% | 0.734 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -36.3 | 179.2 | 49.2 | 0 | 0 | 0 | 0 | 112.7 | C386 | C386-S388 PolarHBondContact O-N 3.3Š|
| 389 | M | 61.8 | Low | 63.2 | Low | 137 Ų | 137 | 87 Ų | 87 | 68% | 0.675 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -25.7 | -175 | -58.4 | -55.2 | -73.6 | 0 | 0 | 114.4 | C387 H407 | C387-M389 VanDerWaalsContact C-N 3.26Å; C387-M389 PolarHBondContact O-N 2.76Å; M389-H407 HydrophobicContact CB-CB 4.25Å; M389-H407 HydrophobicContact CG-CB 4.09Å |
| 390 | C | 72 | Confident | 63.8 | Low | 35 Ų | 35 | 83.3 Ų | 83.3 | 24% | 0.236 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -134.1 | -9.3 | -170.2 | 70.3 | 0 | 0 | 0 | 0 | 113.6 | R362 C387 R392 H403 H407 | R362-C390 PolarHBondContact NH2-O 2.8Å; C387-C390 HydrophobicContact CB-CB 4.47Å; C387-C390 WeakPolarHBondContact CB-SG 3.34Å; C387-C390 PolarHBondContact O-N 3.24Å; C387-C390 WeakPolarHBondContact SG-CB 3.4Å; C387-C390 PolarHBondContact SG-N 3.32Å; C387-C390 CovalentContact SG-SG 2.07Å; C387-C390 PolarHBondContact SG-SG 2.9Å; C390-R392 PolarHBondContact O-N 3.32Å; C390-R392 VanDerWaalsContact O-N 3.12Å; C390-H403 PolarHBondContact SG-NE2 3.09Å; C390-H407 PolarHBondContact SG-NE2 3.17Å |
| 391 | G | 61.5 | Low | 64.6 | Low | 19 Ų | 19 | 80.3 Ų | 80.3 | 20% | 0.196 | 44% | 0.437 | C | S | . | . | trans | 52.2 | 25.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | R362 C387 A393 | R362-G391 VanDerWaalsContact NH1-C 3.34Å; R362-G391 PolarHBondContact NH1-O 3.24Å; R362-G391 PolarHBondContact NH2-O 3.24Å; C387-G391 WeakPolarHBondContact O-CA 3.22Å; C387-G391 PolarHBondContact O-N 2.78Å; G391-A393 PolarHBondContact O-N 3.21Å | ||
| 392 | R | 63.2 | Low | 66.1 | Low | 144 Ų | 144 | 79.7 Ų | 79.7 | 54% | 0.543 | 43% | 0.426 | S | S | . | . | trans | -68.4 | 129 | 166.8 | -70.9 | -178.4 | -176.7 | 175.1 | 3.9 | 108.4 | C386 C387 C390 Y394 | C386-R392 WeakPolarHBondContact CA-O 3.35Å; C387-R392 HydrophobicContact CB-CB 4.42Å; C387-R392 PolarHBondContact N-O 3.39Å; C390-R392 PolarHBondContact O-N 3.32Å; C390-R392 VanDerWaalsContact O-N 3.12Å; R392-Y394 HydrophobicContact CB-CE2 3.64Å; R392-Y394 WeakPolarHBondContact CD-OH 3.41Å; R392-Y394 WeakPolarHBondContact O-CD2 3.47Å; R392-Y394 WeakPolarHBondContact O-CE2 3.29Å | ||
| 393 | A | 64.5 | Low | 67.4 | Low | 39 Ų | 39 | 77.9 Ų | 77.9 | 32% | 0.322 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 136.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | A376 G391 | A376-A393 HydrophobicContact CB-CB 4.49Å; G391-A393 PolarHBondContact O-N 3.21Å |
| 394 | Y | 70.1 | Confident | 68.1 | Low | 46 Ų | 46 | 72.3 Ų | 72.3 | 18% | 0.18 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 148.7 | 177.6 | -63.4 | -87.5 | 0 | 0 | 0 | 109.7 | Y385 C387 R392 S396 L400 H403 | Y385-Y394 PolarHBondContact O-N 3.11Å; C387-Y394 HydrophobicContact CB-CE2 4.17Å; R392-Y394 HydrophobicContact CB-CE2 3.64Å; R392-Y394 WeakPolarHBondContact CD-OH 3.41Å; R392-Y394 WeakPolarHBondContact O-CD2 3.47Å; R392-Y394 WeakPolarHBondContact O-CE2 3.29Å; Y394-S396 PolarHBondContact O-N 3.48Å; Y394-L400 HydrophobicContact CD2-CB 4.1Å; Y394-L400 HydrophobicContact CD2-CD1 3.5Å; Y394-L400 HydrophobicContact CD2-CG 4.46Å; Y394-L400 HydrophobicContact CE2-CD1 3.8Å; Y394-L400 HydrophobicContact CG-CB 4.35Å; Y394-H403 HydrophobicContact CE1-CB 4.14Å; Y394-H403 HydrophobicContact CE2-CB 4.1Å; Y394-H403 AromaticContact CE2-CD2 3.59Å; Y394-H403 AromaticContact CE2-CG 3.9Å; Y394-H403 AromaticContact CZ-CD2 3.59Å; Y394-H403 AromaticContact CZ-CG 3.46Å; Y394-H403 VanDerWaalsContact CZ-CG 3.46Å; Y394-H403 AromaticContact CZ-ND1 3.99Å; Y394-H403 PolarHBondContact OH-CD2 3.44Å; Y394-H403 PolarHBondContact OH-CE1 2.75Å; Y394-H403 PolarHBondContact OH-ND1 3.44Å; Y394-H403 PolarHBondContact OH-NE2 2.99Å |
| 395 | T | 64.6 | Low | 69.1 | Low | 105 Ų | 105 | 73.7 Ų | 73.7 | 64% | 0.644 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -75.3 | -7.8 | 177.6 | 51.9 | 0 | 0 | 0 | 0 | 112.8 | ||
| 396 | S | 64.8 | Low | 69.5 | Low | 34 Ų | 34 | 78.9 Ų | 78.9 | 24% | 0.238 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -158.4 | 150.5 | -178 | 139.7 | 0 | 0 | 0 | 0 | 112 | Y385 Y394 T398 Y399 L400 | Y385-S396 VanDerWaalsContact CD2-C 3.44Å; Y394-S396 PolarHBondContact O-N 3.48Å; S396-T398 VanDerWaalsContact C-N 3.29Å; S396-T398 PolarHBondContact O-N 3.42Å; S396-T398 PolarHBondContact OG-N 3.27Å; S396-T398 VanDerWaalsContact OG-N 3.1Å; S396-T398 PolarHBondContact OG-OG1 3.24Å; S396-Y399 PolarHBondContact O-N 3.21Å; S396-L400 PolarHBondContact O-N 3.29Å |
| 397 | E | 66.1 | Low | 69.9 | Low | 102 Ų | 102 | 78.8 Ų | 78.8 | 48% | 0.477 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -57.5 | -38.8 | 174.7 | -159 | 157.2 | 179.6 | 0 | 0 | 112.4 | Y385 Y399 L400 M401 | Y385-E397 HydrophobicContact CD1-CB 3.73Å; Y385-E397 HydrophobicContact CD1-CG 3.76Å; Y385-E397 HydrophobicContact CD2-CB 4.27Å; Y385-E397 HydrophobicContact CE1-CB 3.34Å; Y385-E397 HydrophobicContact CE1-CG 3.36Å; Y385-E397 WeakPolarHBondContact CE1-OE2 3.43Å; Y385-E397 HydrophobicContact CE2-CB 3.93Å; Y385-E397 HydrophobicContact CG-CB 4.17Å; Y385-E397 VanDerWaalsContact CZ-CB 3.43Å; Y385-E397 VanDerWaalsContact CZ-OE2 3.29Å; Y385-E397 PolarHBondContact OH-OE2 3.5Å; E397-Y399 VanDerWaalsContact C-N 3.28Å; E397-Y399 PolarHBondContact O-N 2.92Å; E397-L400 CarbonylContact O-C 3.52Å; E397-L400 WeakPolarHBondContact O-CB 3.37Å; E397-L400 PolarHBondContact O-N 3.38Å; E397-L400 VanDerWaalsContact O-N 3.13Å; E397-M401 HydrophobicContact CG-CG 4.35Å; E397-M401 VanDerWaalsContact O-CG 3.29Å; E397-M401 WeakPolarHBondContact O-CG 3.42Å; E397-M401 PolarHBondContact O-N 3.17Å |
| 398 | T | 74.6 | Confident | 69.8 | Low | 85 Ų | 85 | 82.6 Ų | 82.6 | 52% | 0.521 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67.1 | -33 | -176.7 | 62.1 | 0 | 0 | 0 | 0 | 111.7 | S396 K402 | S396-T398 VanDerWaalsContact C-N 3.29Å; S396-T398 PolarHBondContact O-N 3.42Å; S396-T398 PolarHBondContact OG-N 3.27Å; S396-T398 VanDerWaalsContact OG-N 3.1Å; S396-T398 PolarHBondContact OG-OG1 3.24Å; T398-K402 WeakPolarHBondContact O-CG 3.5Å; T398-K402 PolarHBondContact O-N 2.84Å |
| 399 | Y | 76.6 | Confident | 68.8 | Low | 137 Ų | 137 | 86 Ų | 86 | 54% | 0.537 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -74.8 | -34.4 | 173.4 | -78.4 | -79.2 | 0 | 0 | 0 | 112.4 | S396 E397 H403 | S396-Y399 PolarHBondContact O-N 3.21Å; E397-Y399 VanDerWaalsContact C-N 3.28Å; E397-Y399 PolarHBondContact O-N 2.92Å; Y399-H403 WeakPolarHBondContact O-CB 3.43Å; Y399-H403 PolarHBondContact O-N 3.28Å |
| 400 | L | 76 | Confident | 67.8 | Low | 18 Ų | 18 | 86.2 Ų | 86.2 | 9% | 0.094 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -62.9 | -46.5 | 170.6 | -179 | 70.4 | 0 | 0 | 0 | 110.9 | Y385 C387 Y394 S396 E397 K402 H403 M404 | Y385-L400 HydrophobicContact CD1-CD2 4.07Å; Y385-L400 HydrophobicContact CG-CD2 4.44Å; C387-L400 HydrophobicContact CB-CD1 3.86Å; Y394-L400 HydrophobicContact CD2-CB 4.1Å; Y394-L400 HydrophobicContact CD2-CD1 3.5Å; Y394-L400 HydrophobicContact CD2-CG 4.46Å; Y394-L400 HydrophobicContact CE2-CD1 3.8Å; Y394-L400 HydrophobicContact CG-CB 4.35Å; S396-L400 PolarHBondContact O-N 3.29Å; E397-L400 CarbonylContact O-C 3.52Å; E397-L400 WeakPolarHBondContact O-CB 3.37Å; E397-L400 PolarHBondContact O-N 3.38Å; E397-L400 VanDerWaalsContact O-N 3.13Å; L400-K402 PolarHBondContact O-N 3.43Å; L400-H403 CarbonylContact O-C 3.57Å; L400-H403 WeakPolarHBondContact O-CA 3.41Å; L400-H403 VanDerWaalsContact O-CB 3.28Å; L400-H403 WeakPolarHBondContact O-CB 3.41Å; L400-H403 PolarHBondContact O-N 3.26Å; L400-M404 HydrophobicContact CD1-CE 3.39Å; L400-M404 HydrophobicContact CD2-CE 3.95Å; L400-M404 HydrophobicContact CG-CE 3.59Å; L400-M404 WeakPolarHBondContact O-CG 3.46Å; L400-M404 PolarHBondContact O-N 2.86Å |
| 401 | M | 72.4 | Confident | 66 | Low | 119 Ų | 119 | 93 Ų | 93 | 59% | 0.586 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.8 | -35.1 | 179.9 | -68.3 | -59.1 | -80.6 | 0 | 0 | 112.5 | E397 H403 M404 P405 | E397-M401 HydrophobicContact CG-CG 4.35Å; E397-M401 VanDerWaalsContact O-CG 3.29Å; E397-M401 WeakPolarHBondContact O-CG 3.42Å; E397-M401 PolarHBondContact O-N 3.17Å; M401-H403 PolarHBondContact O-N 3.03Å; M401-M404 PolarHBondContact O-N 3.21Å; M401-P405 WeakPolarHBondContact O-CD 3.49Å |
| 402 | K | 79.2 | Confident | 64.6 | Low | 154 Ų | 154 | 100.2 Ų | 100.2 | 67% | 0.67 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.9 | -22.1 | 169.2 | -74.3 | 177.9 | -178.5 | -177.6 | 0 | 113.3 | T398 L400 | T398-K402 WeakPolarHBondContact O-CG 3.5Å; T398-K402 PolarHBondContact O-N 2.84Å; L400-K402 PolarHBondContact O-N 3.43Å |
| 403 | H | 77.7 | Confident | 63.2 | Low | 9 Ų | 9 | 99 Ų | 99 | 4% | 0.042 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -88 | -32.1 | 178.6 | 174 | 67.6 | 0 | 0 | 0 | 113.2 | C387 C390 Y394 Y399 L400 M401 P405 K406 H407 | C387-H403 PolarHBondContact SG-NE2 2.88Å; C387-H403 VanDerWaalsContact SG-NE2 3.38Å; C390-H403 PolarHBondContact SG-NE2 3.09Å; Y394-H403 HydrophobicContact CE1-CB 4.14Å; Y394-H403 HydrophobicContact CE2-CB 4.1Å; Y394-H403 AromaticContact CE2-CD2 3.59Å; Y394-H403 AromaticContact CE2-CG 3.9Å; Y394-H403 AromaticContact CZ-CD2 3.59Å; Y394-H403 AromaticContact CZ-CG 3.46Å; Y394-H403 VanDerWaalsContact CZ-CG 3.46Å; Y394-H403 AromaticContact CZ-ND1 3.99Å; Y394-H403 PolarHBondContact OH-CD2 3.44Å; Y394-H403 PolarHBondContact OH-CE1 2.75Å; Y394-H403 PolarHBondContact OH-ND1 3.44Å; Y394-H403 PolarHBondContact OH-NE2 2.99Å; Y399-H403 WeakPolarHBondContact O-CB 3.43Å; Y399-H403 PolarHBondContact O-N 3.28Å; L400-H403 CarbonylContact O-C 3.57Å; L400-H403 WeakPolarHBondContact O-CA 3.41Å; L400-H403 VanDerWaalsContact O-CB 3.28Å; L400-H403 WeakPolarHBondContact O-CB 3.41Å; L400-H403 PolarHBondContact O-N 3.26Å; M401-H403 PolarHBondContact O-N 3.03Å; H403-P405 VanDerWaalsContact C-CD 3.46Å; H403-K406 VanDerWaalsContact O-CB 3.28Å; H403-K406 WeakPolarHBondContact O-CB 3.49Å; H403-K406 WeakPolarHBondContact O-CG 3.42Å; H403-K406 PolarHBondContact O-N 3.45Å; H403-H407 AromaticContact CD2-NE2 3.72Å; H403-H407 AromaticContact CE1-NE2 3.57Å; H403-H407 AromaticContact NE2-CD2 3.92Å; H403-H407 AromaticContact NE2-CE1 3.97Å; H403-H407 AromaticContact NE2-NE2 3.01Å; H403-H407 PolarHBondContact NE2-NE2 2.77Å |
| 404 | M | 68.2 | Low | 61.8 | Low | 53 Ų | 53 | 106 Ų | 106 | 26% | 0.261 | 55% | 0.546 | S | S | . | . | G | 310 helix | trans | -54.3 | -38.9 | -177.6 | -74.9 | -63 | 164 | 0 | 0 | 115.6 | C387 L400 M401 K406 H407 | C387-M404 HydrophobicContact CB-CE 4.25Å; L400-M404 HydrophobicContact CD1-CE 3.39Å; L400-M404 HydrophobicContact CD2-CE 3.95Å; L400-M404 HydrophobicContact CG-CE 3.59Å; L400-M404 WeakPolarHBondContact O-CG 3.46Å; L400-M404 PolarHBondContact O-N 2.86Å; M401-M404 PolarHBondContact O-N 3.21Å; M404-K406 PolarHBondContact O-N 3.44Å; M404-H407 PolarHBondContact O-N 3.4Å |
| 405 | P | 80.1 | Confident | 59.9 | Low | 92 Ų | 92 | 108.6 Ų | 108.6 | 60% | 0.597 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -60.6 | -16.3 | 176.9 | -26.2 | 33.9 | 0 | 0 | 0 | 114.3 | M401 H403 H407 A408 | M401-P405 WeakPolarHBondContact O-CD 3.49Å; H403-P405 VanDerWaalsContact C-CD 3.46Å; P405-H407 PolarHBondContact O-N 3.04Å; P405-A408 PolarHBondContact O-N 2.93Å |
| 406 | K | 73.3 | Confident | 58.5 | Low | 157 Ų | 157 | 111.9 Ų | 111.9 | 68% | 0.683 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -74.1 | -9.6 | 174.7 | -57.1 | -174 | -179 | -174.7 | 0 | 113 | H403 M404 | H403-K406 VanDerWaalsContact O-CB 3.28Å; H403-K406 WeakPolarHBondContact O-CB 3.49Å; H403-K406 WeakPolarHBondContact O-CG 3.42Å; H403-K406 PolarHBondContact O-N 3.45Å; M404-K406 PolarHBondContact O-N 3.44Å |
| 407 | H | 71.6 | Confident | 56.8 | Low | 64 Ų | 64 | 119.2 Ų | 119.2 | 30% | 0.296 | 61% | 0.609 | S | S | . | * | G | 310 helix | trans | -108.3 | 0.4 | 173.8 | -56.7 | -64.6 | 0 | 0 | 0 | 112.5 | C387 M389 C390 H403 M404 P405 M409 | C387-H407 PolarHBondContact SG-NE2 3.07Å; M389-H407 HydrophobicContact CB-CB 4.25Å; M389-H407 HydrophobicContact CG-CB 4.09Å; C390-H407 PolarHBondContact SG-NE2 3.17Å; H403-H407 AromaticContact CD2-NE2 3.72Å; H403-H407 AromaticContact CE1-NE2 3.57Å; H403-H407 AromaticContact NE2-CD2 3.92Å; H403-H407 AromaticContact NE2-CE1 3.97Å; H403-H407 AromaticContact NE2-NE2 3.01Å; H403-H407 PolarHBondContact NE2-NE2 2.77Å; M404-H407 PolarHBondContact O-N 3.4Å; P405-H407 PolarHBondContact O-N 3.04Å; H407-M409 VanDerWaalsContact C-N 3.29Å; H407-M409 PolarHBondContact O-N 3.05Å |
| 408 | A | 64.7 | Low | 54.9 | Low | 80 Ų | 80 | 119.5 Ų | 119.5 | 66% | 0.661 | 62% | 0.622 | S | S | * | * | trans | -78.1 | 79.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | P405 | P405-A408 PolarHBondContact O-N 2.93Š| ||
| 409 | M | 43.2 | Very low | 52.9 | Low | 178 Ų | 178 | 121.2 Ų | 121.2 | 88% | 0.877 | 64% | 0.635 | S | S | * | * | trans | -128.4 | 118.8 | 146.3 | -76.2 | -166.4 | 168.7 | 0 | 0 | 107.8 | H407 | H407-M409 VanDerWaalsContact C-N 3.29Å; H407-M409 PolarHBondContact O-N 3.05Å | ||
| 410 | V | 40.4 | Very low | 50.7 | Low | 141 Ų | 141 | 123.7 Ų | 123.7 | 86% | 0.855 | 65% | 0.651 | S | S | * | * | S | Bend | trans | 85 | 94.9 | 168.8 | -163.1 | 0 | 0 | 0 | 0 | 118 | ||
| 411 | E | 33.4 | Very low | 48.5 | Very low | 177 Ų | 177 | 129.9 Ų | 129.9 | 83% | 0.827 | 68% | 0.684 | S | S | * | * | trans | 29.2 | 130.1 | 140.3 | -65.6 | -144.1 | 143 | 0 | 0 | 125.4 | ||||
| 412 | H | 32.9 | Very low | 46.5 | Very low | 171 Ų | 171 | 135.7 Ų | 135.7 | 79% | 0.792 | 70% | 0.7 | S | S | * | * | 58.9 | 107.3 | 128.7 | -135.4 | 90.9 | 0 | 0 | 0 | 120.2 | |||||
| 413 | V | 33.3 | Very low | 44.4 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 71% | 0.709 | 71% | 0.708 | S | S | * | * | 161.6 | 101.8 | 121.8 | 168 | 0 | 0 | 0 | 0 | 105.7 | |||||
| 414 | M | 34.3 | Very low | 42.1 | Very low | 187 Ų | 187 | 137.8 Ų | 137.8 | 92% | 0.921 | 74% | 0.74 | S | S | * | * | trans | -126.6 | 94.8 | 150.8 | -78.1 | -160.6 | 81.7 | 0 | 0 | 107.3 | ||||
| 415 | S | 30.7 | Very low | 40.5 | Very low | 101 Ų | 101 | 141.2 Ų | 141.2 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | trans | -53.1 | 134.2 | 164 | -163.8 | 0 | 0 | 0 | 0 | 109.2 | H417 | S415-H417 PolarHBondContact O-N 3.25Š| ||
| 416 | H | 35 | Very low | 38.6 | Very low | 174 Ų | 174 | 142.2 Ų | 142.2 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | trans | -57.7 | 127.3 | 173.4 | -70.1 | -93.3 | 0 | 0 | 0 | 110.4 | ||||
| 417 | H | 28.7 | Very low | 36.5 | Very low | 188 Ų | 188 | 142.3 Ų | 142.3 | 87% | 0.87 | 78% | 0.784 | S | S | * | * | trans | -143.3 | 106.1 | 143.9 | -97.4 | -71.4 | 0 | 0 | 0 | 110.1 | S415 | S415-H417 PolarHBondContact O-N 3.25Š| ||
| 418 | S | 25.9 | Very low | 34.7 | Very low | 107 Ų | 107 | 145.9 Ų | 145.9 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | trans | -72.9 | 142.1 | 164.4 | -156.2 | 0 | 0 | 0 | 0 | 108.9 | Q420 | S418-Q420 PolarHBondContact O-N 2.87Š| ||
| 419 | P | 32.8 | Very low | 33.5 | Very low | 122 Ų | 122 | 147.6 Ų | 147.6 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | trans | -86.2 | 115.6 | -176.5 | 32.1 | -28.7 | 0 | 0 | 0 | 110.4 | ||||
| 420 | Q | 30.8 | Very low | 32.8 | Very low | 189 Ų | 189 | 145.4 Ų | 145.4 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | -103.3 | 108.9 | 157.8 | -72.5 | -157.9 | 13.6 | 0 | 0 | 109.7 | S418 | S418-Q420 PolarHBondContact O-N 2.87Š| ||
| 421 | N | 30.4 | Very low | 32.4 | Very low | 147 Ų | 147 | 149.6 Ų | 149.6 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | trans | 4.6 | 119 | 141.2 | -136.2 | -0.1 | 0 | 0 | 0 | 116.1 | ||||
| 422 | R | 30.7 | Very low | 32.2 | Very low | 242 Ų | 242 | 148 Ų | 148 | 91% | 0.913 | 80% | 0.795 | S | S | * | * | -171.8 | 129.2 | 129.6 | -102.3 | 164.8 | -168.2 | -155.3 | 3.6 | 111.6 | |||||
| 423 | T | 35.2 | Very low | 32.2 | Very low | 136 Ų | 136 | 144.9 Ų | 144.9 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | -50.8 | 140.2 | 165.9 | 49.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 424 | G | 28 | Very low | 32.2 | Very low | 70 Ų | 70 | 146.6 Ų | 146.6 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | 162.6 | 103.1 | 166 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 425 | S | 34.3 | Very low | 32.3 | Very low | 125 Ų | 125 | 148.7 Ų | 148.7 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | -46.9 | 147.1 | 168.5 | -50.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 426 | P | 41.3 | Very low | 32.3 | Very low | 114 Ų | 114 | 151.1 Ų | 151.1 | 74% | 0.74 | 81% | 0.814 | S | S | * | * | -145.5 | 145.5 | 104.3 | 24.7 | -3 | 0 | 0 | 0 | 112.5 | |||||
| 427 | N | 29 | Very low | 32.2 | Very low | 158 Ų | 158 | 149.8 Ų | 149.8 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | 62.2 | 112.6 | 82.4 | -127.7 | -21.2 | 0 | 0 | 0 | 113.4 | |||||
| 428 | I | 34.4 | Very low | 32.4 | Very low | 139 Ų | 139 | 147.7 Ų | 147.7 | 71% | 0.713 | 81% | 0.811 | S | S | * | * | trans | -68.7 | 140.3 | 173.2 | -65.2 | 159.2 | 0 | 0 | 0 | 108.7 | I430 | I428-I430 HydrophobicContact CG2-CD1 4.3Å; I428-I430 HydrophobicContact CG2-CG1 3.82Å | ||
| 429 | P | 38 | Very low | 32.8 | Very low | 116 Ų | 116 | 150.1 Ų | 150.1 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | -138.7 | 128.4 | 107 | 22.9 | -2.5 | 0 | 0 | 0 | 111.4 | |||||
| 430 | I | 29.6 | Very low | 32.8 | Very low | 133 Ų | 133 | 151.9 Ų | 151.9 | 68% | 0.682 | 82% | 0.817 | S | S | * | * | 55.7 | 113.7 | 83.9 | -66 | 175.8 | 0 | 0 | 0 | 113.9 | I428 | I428-I430 HydrophobicContact CG2-CD1 4.3Å; I428-I430 HydrophobicContact CG2-CG1 3.82Å | |||
| 431 | R | 30.8 | Very low | 32.9 | Very low | 229 Ų | 229 | 149.4 Ų | 149.4 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | 73.2 | 142.1 | 149.2 | -93.6 | -174.5 | -177.6 | -159.3 | 2.1 | 115.6 | ||||
| 432 | I | 30.8 | Very low | 33.1 | Very low | 143 Ų | 143 | 149.6 Ų | 149.6 | 73% | 0.733 | 81% | 0.814 | S | S | * | * | cis | -154.2 | 140.8 | 34.2 | -67.9 | -179 | 0 | 0 | 0 | 108.5 | ||||
| 433 | S | 31.9 | Very low | 33.3 | Very low | 106 Ų | 106 | 142.5 Ų | 142.5 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | trans | -65.2 | 142.9 | 163.9 | -38.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 434 | L | 33.6 | Very low | 33.1 | Very low | 153 Ų | 153 | 143 Ų | 143 | 80% | 0.801 | 80% | 0.804 | S | S | * | * | trans | -170.8 | 118.9 | 139.4 | -100 | 155.3 | 0 | 0 | 0 | 110.2 | ||||
| 435 | I | 35.9 | Very low | 33.6 | Very low | 230 Ų | 230 | 149.6 Ų | 149.6 | 100% | 1.179 | 81% | 0.812 | S | S | * | * | trans | 75.5 | 0 | 155.3 | -45.9 | 176.1 | 0 | 0 | 0 | 117 |
Retrieved 435 of 435 residues in 71.3 ms
(Link to these results)