| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.2 | Very low | 37.6 | Very low | 252 Ų | 252 | 139.5 Ų | 139.5 | 100% | 1.241 | 81% | 0.812 | S | S | * | * | 0 | 110.2 | 0 | -77.8 | 172.2 | 167.9 | 0 | 0 | 108 | |||||
| 2 | R | 29.7 | Very low | 38 | Very low | 250 Ų | 250 | 136 Ų | 136 | 94% | 0.943 | 80% | 0.797 | S | S | * | * | trans | -112.5 | 103.6 | -163.4 | -159 | 178 | -170.5 | 174.2 | 2.1 | 107.4 | ||||
| 3 | A | 40 | Very low | 38.2 | Very low | 102 Ų | 102 | 134 Ų | 134 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | -95.3 | 110.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | A5 | A3-A5 PolarHBondContact O-N 3.4Š| ||
| 4 | S | 39.1 | Very low | 38.4 | Very low | 109 Ų | 109 | 134.3 Ų | 134.3 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | -57 | 128.1 | 179.7 | -75.7 | 0 | 0 | 0 | 0 | 112.3 | N6 | S4-N6 PolarHBondContact O-N 3.24Š| ||
| 5 | A | 35.8 | Very low | 38.4 | Very low | 99 Ų | 99 | 129.5 Ų | 129.5 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -63.9 | 120.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | A3 | A3-A5 PolarHBondContact O-N 3.4Š| ||
| 6 | N | 42.1 | Very low | 38.4 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 66% | 0.658 | 77% | 0.768 | S | S | * | * | trans | -111.8 | 122.8 | 163 | -92.8 | -12.2 | 0 | 0 | 0 | 109.3 | S4 | S4-N6 PolarHBondContact O-N 3.24Š| ||
| 7 | A | 35.3 | Very low | 38.6 | Very low | 88 Ų | 88 | 127.9 Ų | 127.9 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | -65.8 | 124 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 8 | Y | 39.7 | Very low | 38.5 | Very low | 170 Ų | 170 | 128.1 Ų | 128.1 | 67% | 0.667 | 76% | 0.762 | S | S | * | * | trans | -131.5 | 81.2 | 145.1 | -67.6 | -77.1 | 0 | 0 | 0 | 107.1 | W203 | Y8-W203 HydrophobicContact CE1-CZ2 4.03Å; Y8-W203 AromaticContact CZ-CZ2 3.9Å; Y8-W203 WeakPolarHBondContact OH-CH2 3.43Å; Y8-W203 WeakPolarHBondContact OH-CZ2 3.27Å | ||
| 9 | T | 36 | Very low | 38.2 | Very low | 126 Ų | 126 | 132.4 Ų | 132.4 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | trans | -111.5 | 116.4 | 159.2 | -74.2 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 10 | T | 41.3 | Very low | 37.9 | Very low | 133 Ų | 133 | 132.9 Ų | 132.9 | 82% | 0.816 | 76% | 0.758 | S | S | * | * | -174.1 | 122.1 | 127.5 | 25.3 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 11 | A | 36.9 | Very low | 37.6 | Very low | 83 Ų | 83 | 133.8 Ų | 133.8 | 69% | 0.686 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 150 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | S13 | A11-S13 PolarHBondContact O-N 3.3Š|
| 12 | P | 42.7 | Very low | 37.5 | Very low | 97 Ų | 97 | 126 Ų | 126 | 63% | 0.63 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 126 | 173.7 | 27.9 | -30.1 | 0 | 0 | 0 | 109.8 | ||
| 13 | S | 41.4 | Very low | 37.6 | Very low | 110 Ų | 110 | 121.4 Ų | 121.4 | 77% | 0.769 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 127.6 | 177.5 | -43.4 | 0 | 0 | 0 | 0 | 111.5 | A11 | A11-S13 PolarHBondContact O-N 3.3Š|
| 14 | N | 40.3 | Very low | 37.3 | Very low | 138 Ų | 138 | 122 Ų | 122 | 74% | 0.738 | 72% | 0.716 | S | S | * | * | trans | 63.5 | 132.6 | 161.2 | -71.9 | -10.1 | 0 | 0 | 0 | 121.6 | ||||
| 15 | P | 38 | Very low | 36.9 | Very low | 62 Ų | 62 | 122.5 Ų | 122.5 | 40% | 0.403 | 72% | 0.72 | S | S | . | * | trans | -71.9 | 160.6 | 162.7 | 33.5 | -33.4 | 0 | 0 | 0 | 110.8 | S17 L77 | P15-S17 PolarHBondContact O-N 2.84Å; P15-S17 VanDerWaalsContact O-N 3.07Å; P15-L77 HydrophobicContact CB-CD1 3.9Å | ||
| 16 | P | 38.9 | Very low | 37 | Very low | 125 Ų | 125 | 123.5 Ų | 123.5 | 81% | 0.812 | 72% | 0.715 | S | S | * | * | trans | -64.5 | 113.6 | -178.4 | 25.9 | -31.9 | 0 | 0 | 0 | 110.6 | ||||
| 17 | S | 41.3 | Very low | 36.4 | Very low | 108 Ų | 108 | 127 Ų | 127 | 76% | 0.755 | 73% | 0.725 | S | S | * | * | trans | -91.9 | 137.8 | 174.3 | -67.3 | 0 | 0 | 0 | 0 | 111.2 | P15 | P15-S17 PolarHBondContact O-N 2.84Å; P15-S17 VanDerWaalsContact O-N 3.07Å | ||
| 18 | I | 37.3 | Very low | 36.4 | Very low | 131 Ų | 131 | 134.2 Ų | 134.2 | 67% | 0.672 | 73% | 0.733 | S | S | * | * | trans | -85.4 | 115.4 | 179.8 | -65.6 | 169.2 | 0 | 0 | 0 | 109.1 | ||||
| 19 | R | 32.9 | Very low | 36.1 | Very low | 209 Ų | 209 | 133.4 Ų | 133.4 | 79% | 0.789 | 74% | 0.741 | S | S | * | * | trans | 66.1 | 130.4 | 153.7 | -89 | -175.4 | 162 | -175.9 | -1.6 | 123.4 | ||||
| 20 | H | 32.3 | Very low | 36 | Very low | 143 Ų | 143 | 133 Ų | 133 | 66% | 0.662 | 74% | 0.743 | S | S | * | * | trans | 61.6 | 134.2 | 147.1 | -78.9 | -72.3 | 0 | 0 | 0 | 118.3 | ||||
| 21 | E | 32.5 | Very low | 35.7 | Very low | 152 Ų | 152 | 134.1 Ų | 134.1 | 71% | 0.71 | 74% | 0.742 | S | S | * | * | cis | -167.3 | -175.9 | 28.2 | -117.5 | -54 | 106 | 0 | 0 | 106.6 | ||||
| 22 | P | 34.6 | Very low | 35.5 | Very low | 89 Ų | 89 | 138.8 Ų | 138.8 | 58% | 0.578 | 75% | 0.75 | S | S | * | * | -106.3 | 177.8 | -122.5 | 42.8 | -29.8 | 0 | 0 | 0 | 115.8 | |||||
| 23 | N | 31.7 | Very low | 35.2 | Very low | 153 Ų | 153 | 140.6 Ų | 140.6 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | 84.9 | 91.5 | 166.7 | -57.7 | -27.7 | 0 | 0 | 0 | 118.1 | ||||
| 24 | S | 34.2 | Very low | 34.8 | Very low | 114 Ų | 114 | 141.2 Ų | 141.2 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | -174.7 | 139.6 | 112.1 | 62.2 | 0 | 0 | 0 | 0 | 111.2 | V26 | S24-V26 PolarHBondContact O-N 3.17Š| |||
| 25 | S | 29.7 | Very low | 34.6 | Very low | 120 Ų | 120 | 143.8 Ų | 143.8 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | trans | -76.6 | 98 | -171.5 | 50.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 26 | V | 37.1 | Very low | 34.2 | Very low | 119 Ų | 119 | 148 Ų | 148 | 72% | 0.721 | 78% | 0.781 | S | S | * | * | trans | -140.4 | -12.8 | 165.3 | -176.9 | 0 | 0 | 0 | 0 | 114.2 | S24 | S24-V26 PolarHBondContact O-N 3.17Š| ||
| 27 | F | 31.3 | Very low | 33.9 | Very low | 197 Ų | 197 | 149.9 Ų | 149.9 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | trans | -119.9 | 88.1 | -174.1 | -76.2 | -87.6 | 0 | 0 | 0 | 112.6 | ||||
| 28 | R | 33.7 | Very low | 33.4 | Very low | 239 Ų | 239 | 151.3 Ų | 151.3 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | -118.7 | 3 | 176.1 | -140.3 | -173.2 | -161.9 | -172.3 | 5.2 | 116.1 | ||||
| 29 | N | 34.1 | Very low | 33 | Very low | 153 Ų | 153 | 150.6 Ų | 150.6 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -131.2 | 80.3 | -176.3 | -69.7 | -11.1 | 0 | 0 | 0 | 111.3 | ||
| 30 | S | 33.4 | Very low | 32.9 | Very low | 119 Ų | 119 | 146.3 Ų | 146.3 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | S | Bend | trans | 179.9 | -0.9 | 158 | -82.2 | 0 | 0 | 0 | 0 | 113.9 | E32 | S30-E32 VanDerWaalsContact C-N 3.32Å; S30-E32 PolarHBondContact O-N 3.18Å; S30-E32 VanDerWaalsContact O-N 3.16Å |
| 31 | I | 34.8 | Very low | 33 | Very low | 155 Ų | 155 | 147.4 Ų | 147.4 | 80% | 0.795 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | 57.8 | -178.4 | -47.3 | 176.9 | 0 | 0 | 0 | 110.5 | ||
| 32 | E | 34 | Very low | 32.9 | Very low | 182 Ų | 182 | 145.4 Ų | 145.4 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.6 | 6.2 | 171.9 | -74.7 | -165.5 | 164 | 0 | 0 | 114.8 | S30 | S30-E32 VanDerWaalsContact C-N 3.32Å; S30-E32 PolarHBondContact O-N 3.18Å; S30-E32 VanDerWaalsContact O-N 3.16Å |
| 33 | H | 34.8 | Very low | 33 | Very low | 135 Ų | 135 | 149.3 Ų | 149.3 | 63% | 0.625 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -135.7 | 65.6 | -176.6 | -105.9 | 59.8 | 0 | 0 | 0 | 112.4 | ||
| 34 | S | 34.5 | Very low | 33.2 | Very low | 122 Ų | 122 | 148.1 Ų | 148.1 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -171.2 | 15.2 | 159.7 | -78.9 | 0 | 0 | 0 | 0 | 115.1 | ||
| 35 | Q | 34.6 | Very low | 33.3 | Very low | 192 Ų | 192 | 149.5 Ų | 149.5 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | trans | -87.2 | 5.3 | 177.1 | -79.6 | -168.1 | -27.1 | 0 | 0 | 115.2 | ||||
| 36 | N | 30.3 | Very low | 33.7 | Very low | 152 Ų | 152 | 148.5 Ų | 148.5 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | trans | -111.7 | 98.2 | 173.5 | -74.3 | -18.7 | 0 | 0 | 0 | 108.9 | ||||
| 37 | L | 32.1 | Very low | 33.6 | Very low | 164 Ų | 164 | 149 Ų | 149 | 86% | 0.859 | 81% | 0.814 | S | S | * | * | S | Bend | trans | 164.6 | 55.1 | 151.1 | -85.8 | 156 | 0 | 0 | 0 | 111.5 | ||
| 38 | T | 31.1 | Very low | 34 | Very low | 137 Ų | 137 | 144.4 Ų | 144.4 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | trans | -151.1 | 63.8 | 158.2 | 58.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 39 | S | 29.4 | Very low | 34.3 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -150.7 | 88.3 | 168.3 | -69.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 40 | S | 30.8 | Very low | 34.6 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -159.7 | 77.9 | 158.1 | -76.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 41 | N | 34.3 | Very low | 34.9 | Very low | 167 Ų | 167 | 139 Ų | 139 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | trans | -145 | 120 | 143.3 | -100.4 | -13.9 | 0 | 0 | 0 | 107.7 | ||||
| 42 | S | 30.4 | Very low | 35.2 | Very low | 110 Ų | 110 | 142.2 Ų | 142.2 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -68.6 | 122.7 | -175 | 53.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 43 | I | 35.9 | Very low | 35.5 | Very low | 171 Ų | 171 | 140.7 Ų | 140.7 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -138 | 126.1 | 141.6 | -59.5 | -174.6 | 0 | 0 | 0 | 107.8 | ||||
| 44 | V | 37 | Very low | 35.6 | Very low | 128 Ų | 128 | 137.7 Ų | 137.7 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | trans | -66.3 | 121.1 | -176.9 | 176.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 45 | N | 35.8 | Very low | 35.8 | Very low | 143 Ų | 143 | 137.9 Ų | 137.9 | 77% | 0.765 | 81% | 0.807 | S | S | * | * | 19.5 | 162.4 | 128.9 | -83.1 | 0.7 | 0 | 0 | 0 | 120.9 | |||||
| 46 | P | 39 | Very low | 36.2 | Very low | 99 Ų | 99 | 133.7 Ų | 133.7 | 64% | 0.643 | 80% | 0.799 | S | S | * | * | cis | -149.6 | 179.3 | -44.4 | 43.9 | -24.9 | 0 | 0 | 0 | 114 | ||||
| 47 | V | 35 | Very low | 36.7 | Very low | 128 Ų | 128 | 133.5 Ų | 133.5 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | 46.8 | 118 | 148.7 | -165.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 48 | S | 39.8 | Very low | 37.1 | Very low | 102 Ų | 102 | 134.4 Ų | 134.4 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | 172.7 | 134.6 | 114.8 | -73.1 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 49 | S | 40 | Very low | 37.5 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | 62.7 | 108.8 | 146 | 57.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 50 | L | 39.8 | Very low | 38.1 | Very low | 168 Ų | 168 | 132.2 Ų | 132.2 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | trans | -59.3 | 133.1 | 149.3 | -72.2 | 93.2 | 0 | 0 | 0 | 110.7 | ||||
| 51 | S | 40.3 | Very low | 38.8 | Very low | 116 Ų | 116 | 132.7 Ų | 132.7 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | 178.2 | 112.7 | 130.6 | -77 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 52 | R | 40.8 | Very low | 39.2 | Very low | 223 Ų | 223 | 133.4 Ų | 133.4 | 84% | 0.842 | 79% | 0.792 | S | S | * | * | 55.1 | 112.7 | 128.1 | -132.6 | -173.3 | 172 | 158.6 | -1.6 | 120.4 | |||||
| 53 | D | 40.4 | Very low | 40.2 | Very low | 149 Ų | 149 | 136.3 Ų | 136.3 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | 136 | 131 | 124.3 | -79.9 | -37.7 | 0 | 0 | 0 | 114.4 | |||||
| 54 | G | 36.8 | Very low | 41.1 | Very low | 72 Ų | 72 | 131.9 Ų | 131.9 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | trans | 122.2 | 104.5 | 160.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 55 | P | 38.7 | Very low | 41.9 | Very low | 126 Ų | 126 | 135.4 Ų | 135.4 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -96.4 | 135.1 | 179.6 | 35.1 | -27 | 0 | 0 | 0 | 112 | ||||
| 56 | S | 41.5 | Very low | 43.1 | Very low | 105 Ų | 105 | 134.5 Ų | 134.5 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | -176 | 125.7 | 151.5 | 41.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 57 | N | 40.9 | Very low | 44.3 | Very low | 148 Ų | 148 | 133.6 Ų | 133.6 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | 61.7 | 107.3 | 147.5 | -69 | 2.2 | 0 | 0 | 0 | 118.5 | ||||
| 58 | E | 41.9 | Very low | 45.9 | Very low | 182 Ų | 182 | 132.4 Ų | 132.4 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | 168.3 | 134.8 | 90.5 | -107.9 | 166.5 | -161.7 | 0 | 0 | 111.6 | |||||
| 59 | T | 38.8 | Very low | 47.7 | Very low | 147 Ų | 147 | 131.2 Ų | 131.2 | 90% | 0.902 | 75% | 0.745 | S | S | * | * | trans | -61.8 | 125.9 | 175.6 | 39.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 60 | G | 42.6 | Very low | 49.8 | Very low | 62 Ų | 62 | 131 Ų | 131 | 64% | 0.639 | 73% | 0.734 | S | S | * | * | trans | -152.6 | 143.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | M62 | G60-M62 PolarHBondContact O-N 3.2Š| ||
| 61 | P | 45.8 | Very low | 51.8 | Low | 127 Ų | 127 | 127.7 Ų | 127.7 | 83% | 0.825 | 71% | 0.714 | S | S | * | * | trans | -76.2 | 118.4 | -160.7 | 9.2 | 2.3 | 0 | 0 | 0 | 113.1 | E63 | P61-E63 PolarHBondContact O-N 3.26Š| ||
| 62 | M | 42 | Very low | 53.8 | Low | 182 Ų | 182 | 126.9 Ų | 126.9 | 90% | 0.897 | 70% | 0.701 | S | S | * | * | trans | -90.8 | 59.8 | 176.3 | -169.1 | -168.8 | 131.6 | 0 | 0 | 111.1 | G60 | G60-M62 PolarHBondContact O-N 3.2Š| ||
| 63 | E | 52.5 | Low | 55.8 | Low | 172 Ų | 172 | 123.1 Ų | 123.1 | 80% | 0.804 | 69% | 0.686 | S | S | * | * | trans | -129.8 | 1.6 | -176.5 | -74.4 | -168.2 | 160.1 | 0 | 0 | 116.3 | P61 | P61-E63 PolarHBondContact O-N 3.26Š| ||
| 64 | S | 54.7 | Low | 58.2 | Low | 78 Ų | 78 | 120.6 Ų | 120.6 | 55% | 0.545 | 67% | 0.672 | S | S | . | * | S | Bend | trans | -91 | -28.1 | -175.3 | -171.3 | 0 | 0 | 0 | 0 | 115 | ||
| 65 | Y | 53 | Low | 60.3 | Low | 202 Ų | 202 | 121 Ų | 121 | 79% | 0.792 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -74.1 | -32.7 | -169.6 | -77.1 | -81 | 0 | 0 | 0 | 114.5 | ||
| 66 | D | 61.2 | Low | 62.4 | Low | 123 Ų | 123 | 120.3 Ų | 120.3 | 66% | 0.658 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -76.3 | -35.1 | -178.5 | -83 | -28.5 | 0 | 0 | 0 | 113.2 | N69 L70 | D66-N69 PolarHBondContact O-N 2.77Å; D66-L70 PolarHBondContact O-N 3.05Å; D66-L70 VanDerWaalsContact O-N 3.08Å |
| 67 | S | 64.2 | Low | 64.7 | Low | 81 Ų | 81 | 118.7 Ų | 118.7 | 57% | 0.566 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65.7 | -42.6 | 179.5 | -173.7 | 0 | 0 | 0 | 0 | 112 | N69 L70 Q71 | S67-N69 VanDerWaalsContact C-N 3.29Å; S67-N69 PolarHBondContact O-N 3.03Å; S67-L70 PolarHBondContact O-N 3.31Å; S67-Q71 PolarHBondContact O-N 2.99Å |
| 68 | L | 67.6 | Low | 66.9 | Low | 102 Ų | 102 | 117.5 Ų | 117.5 | 53% | 0.534 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -60.7 | -37.3 | 175.9 | -77.5 | 160.3 | 0 | 0 | 0 | 112.3 | N72 | L68-N72 WeakPolarHBondContact O-CB 3.27Å; L68-N72 VanDerWaalsContact O-CG 3.3Å; L68-N72 PolarHBondContact O-N 3.32Å; L68-N72 VanDerWaalsContact O-N 3.11Å; L68-N72 PolarHBondContact O-ND2 3.19Å; L68-N72 VanDerWaalsContact O-ND2 3.17Å |
| 69 | N | 79 | Confident | 68.9 | Low | 78 Ų | 78 | 113.3 Ų | 113.3 | 42% | 0.417 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -69.7 | -42.2 | 177.5 | -167.8 | -5.4 | 0 | 0 | 0 | 111.6 | D66 S67 N72 R73 | D66-N69 PolarHBondContact O-N 2.77Å; S67-N69 VanDerWaalsContact C-N 3.29Å; S67-N69 PolarHBondContact O-N 3.03Å; N69-N72 PolarHBondContact O-N 3.07Å; N69-R73 WeakPolarHBondContact O-CB 3.47Å; N69-R73 VanDerWaalsContact O-CG 3.26Å; N69-R73 WeakPolarHBondContact O-CG 3.45Å; N69-R73 PolarHBondContact O-N 3.06Å; N69-R73 PolarHBondContact OD1-NE 3.18Å |
| 70 | L | 84.2 | Confident | 71.1 | Confident | 108 Ų | 108 | 111.8 Ų | 111.8 | 57% | 0.565 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63 | -44 | 176.3 | -74.7 | 168.6 | 0 | 0 | 0 | 112.1 | D66 S67 R73 L74 | D66-L70 PolarHBondContact O-N 3.05Å; D66-L70 VanDerWaalsContact O-N 3.08Å; S67-L70 PolarHBondContact O-N 3.31Å; L70-R73 PolarHBondContact O-N 3.08Å; L70-L74 WeakPolarHBondContact O-CB 3.27Å; L70-L74 PolarHBondContact O-N 3.33Å |
| 71 | Q | 80.4 | Confident | 73.4 | Confident | 98 Ų | 98 | 111.5 Ų | 111.5 | 46% | 0.458 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.9 | -45 | 177.5 | -172.3 | 61.4 | 28.2 | 0 | 0 | 111.5 | S67 R73 L74 E75 | S67-Q71 PolarHBondContact O-N 2.99Å; Q71-R73 VanDerWaalsContact C-N 3.33Å; Q71-R73 PolarHBondContact O-N 3.27Å; Q71-L74 PolarHBondContact O-N 2.84Å; Q71-E75 PolarHBondContact NE2-OE1 2.65Å; Q71-E75 PolarHBondContact O-N 2.97Å |
| 72 | N | 82 | Confident | 75.4 | Confident | 100 Ų | 100 | 108.4 Ų | 108.4 | 54% | 0.535 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62 | -39.8 | 175.8 | -76 | -28.3 | 0 | 0 | 0 | 112.2 | L68 N69 N76 | L68-N72 WeakPolarHBondContact O-CB 3.27Å; L68-N72 VanDerWaalsContact O-CG 3.3Å; L68-N72 PolarHBondContact O-N 3.32Å; L68-N72 VanDerWaalsContact O-N 3.11Å; L68-N72 PolarHBondContact O-ND2 3.19Å; L68-N72 VanDerWaalsContact O-ND2 3.17Å; N69-N72 PolarHBondContact O-N 3.07Å; N72-N76 VanDerWaalsContact O-CB 3.32Å; N72-N76 WeakPolarHBondContact O-CB 3.45Å; N72-N76 PolarHBondContact O-N 2.97Å; N72-N76 PolarHBondContact O-ND2 3.25Å |
| 73 | R | 84.8 | Confident | 77.6 | Confident | 143 Ų | 143 | 100.3 Ų | 100.3 | 54% | 0.54 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.9 | -41.3 | 174.9 | -76.6 | 177 | 172.7 | -143.2 | -5.8 | 112.3 | N69 L70 Q71 N76 L77 | N69-R73 WeakPolarHBondContact O-CB 3.47Å; N69-R73 VanDerWaalsContact O-CG 3.26Å; N69-R73 WeakPolarHBondContact O-CG 3.45Å; N69-R73 PolarHBondContact O-N 3.06Å; N69-R73 PolarHBondContact OD1-NE 3.18Å; L70-R73 PolarHBondContact O-N 3.08Å; Q71-R73 VanDerWaalsContact C-N 3.33Å; Q71-R73 PolarHBondContact O-N 3.27Å; R73-N76 PolarHBondContact O-N 3.23Å; R73-L77 WeakPolarHBondContact O-CB 3.36Å; R73-L77 PolarHBondContact O-N 3.19Å |
| 74 | L | 88.9 | Confident | 79.4 | Confident | 96 Ų | 96 | 94 Ų | 94 | 50% | 0.503 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.5 | -45.2 | 178.4 | -177.9 | 61.2 | 0 | 0 | 0 | 111.5 | L70 Q71 N76 L77 K78 | L70-L74 WeakPolarHBondContact O-CB 3.27Å; L70-L74 PolarHBondContact O-N 3.33Å; Q71-L74 PolarHBondContact O-N 2.84Å; L74-N76 PolarHBondContact O-N 2.98Å; L74-L77 PolarHBondContact O-N 3.29Å; L74-K78 WeakPolarHBondContact O-CB 3.26Å; L74-K78 PolarHBondContact O-N 3.48Å |
| 75 | E | 82 | Confident | 81.1 | Confident | 82 Ų | 82 | 97 Ų | 97 | 38% | 0.383 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.9 | -38.8 | 175.9 | -69.2 | -55.2 | 143.7 | 0 | 0 | 111.9 | Q71 L77 K78 H79 | Q71-E75 PolarHBondContact NE2-OE1 2.65Å; Q71-E75 PolarHBondContact O-N 2.97Å; E75-L77 PolarHBondContact O-N 2.88Å; E75-K78 PolarHBondContact O-N 3.26Å; E75-K78 IonicContact OE2-NZ 2.79Å; E75-H79 WeakPolarHBondContact O-CB 3.4Å; E75-H79 PolarHBondContact O-N 3.03Å |
| 76 | N | 81.7 | Confident | 82.9 | Confident | 111 Ų | 111 | 89.4 Ų | 89.4 | 59% | 0.594 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -61.9 | -42.9 | 173.2 | -74.6 | -22.6 | 0 | 0 | 0 | 112 | N72 R73 L74 H79 W80 | N72-N76 VanDerWaalsContact O-CB 3.32Å; N72-N76 WeakPolarHBondContact O-CB 3.45Å; N72-N76 PolarHBondContact O-N 2.97Å; N72-N76 PolarHBondContact O-ND2 3.25Å; R73-N76 PolarHBondContact O-N 3.23Å; L74-N76 PolarHBondContact O-N 2.98Å; N76-H79 PolarHBondContact O-N 3.44Å; N76-W80 VanDerWaalsContact O-CB 3.31Å; N76-W80 WeakPolarHBondContact O-CB 3.37Å; N76-W80 PolarHBondContact O-N 3.39Å |
| 77 | L | 89.8 | Confident | 84.3 | Confident | 71 Ų | 71 | 84.5 Ų | 84.5 | 37% | 0.372 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 176.5 | -178.8 | 65.6 | 0 | 0 | 0 | 111.3 | P15 R73 L74 E75 W80 S81 | P15-L77 HydrophobicContact CB-CD1 3.9Å; R73-L77 WeakPolarHBondContact O-CB 3.36Å; R73-L77 PolarHBondContact O-N 3.19Å; L74-L77 PolarHBondContact O-N 3.29Å; E75-L77 PolarHBondContact O-N 2.88Å; L77-W80 HydrophobicContact CD1-CE3 3.9Å; L77-W80 HydrophobicContact CD1-CZ3 4.24Å; L77-W80 PolarHBondContact O-N 3.46Å; L77-S81 WeakPolarHBondContact O-CB 3.48Å; L77-S81 PolarHBondContact O-N 3.33Å; L77-S81 PolarHBondContact O-OG 3.33Å |
| 78 | K | 88.9 | Confident | 85.6 | Confident | 122 Ų | 122 | 83.6 Ų | 83.6 | 53% | 0.53 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.1 | -49 | 175.4 | -178.4 | -177.3 | 170.1 | -168.2 | 0 | 110.7 | L74 E75 W80 S81 V82 | L74-K78 WeakPolarHBondContact O-CB 3.26Å; L74-K78 PolarHBondContact O-N 3.48Å; E75-K78 PolarHBondContact O-N 3.26Å; E75-K78 IonicContact OE2-NZ 2.79Å; K78-W80 PolarHBondContact O-N 2.96Å; K78-S81 PolarHBondContact O-N 3.44Å; K78-S81 PolarHBondContact O-OG 3.49Å; K78-V82 WeakPolarHBondContact O-CG2 3.28Å; K78-V82 PolarHBondContact O-N 3.42Å |
| 79 | H | 83.9 | Confident | 86.8 | Confident | 94 Ų | 94 | 82.6 Ų | 82.6 | 44% | 0.435 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60 | -44.5 | 177.1 | -176.8 | 87.1 | 0 | 0 | 0 | 112.6 | E75 N76 T83 R269 | E75-H79 WeakPolarHBondContact O-CB 3.4Å; E75-H79 PolarHBondContact O-N 3.03Å; N76-H79 PolarHBondContact O-N 3.44Å; H79-T83 VanDerWaalsContact O-CB 3.28Å; H79-T83 WeakPolarHBondContact O-CB 3.21Å; H79-T83 PolarHBondContact O-N 2.96Å; H79-T83 PolarHBondContact O-OG1 2.9Å; H79-R269 PolarHBondContact CE1-NH2 2.93Å |
| 80 | W | 84.9 | Confident | 87.4 | Confident | 116 Ų | 116 | 79 Ų | 79 | 44% | 0.439 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 175.6 | 171.9 | 81.4 | 0 | 0 | 0 | 111.5 | N76 L77 K78 V82 T83 T84 | N76-W80 VanDerWaalsContact O-CB 3.31Å; N76-W80 WeakPolarHBondContact O-CB 3.37Å; N76-W80 PolarHBondContact O-N 3.39Å; L77-W80 HydrophobicContact CD1-CE3 3.9Å; L77-W80 HydrophobicContact CD1-CZ3 4.24Å; L77-W80 PolarHBondContact O-N 3.46Å; K78-W80 PolarHBondContact O-N 2.96Å; W80-V82 PolarHBondContact O-N 2.9Å; W80-T83 PolarHBondContact O-N 2.66Å; W80-T84 VanDerWaalsContact O-CB 3.23Å; W80-T84 WeakPolarHBondContact O-CB 3.35Å; W80-T84 PolarHBondContact O-N 3.36Å; W80-T84 PolarHBondContact O-OG1 2.89Å |
| 81 | S | 91.2 | Very high | 87.6 | Confident | 56 Ų | 56 | 77.6 Ų | 77.6 | 39% | 0.392 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.4 | -45.7 | -178.8 | 70.6 | 0 | 0 | 0 | 0 | 112.1 | L77 K78 T84 F85 | L77-S81 WeakPolarHBondContact O-CB 3.48Å; L77-S81 PolarHBondContact O-N 3.33Å; L77-S81 PolarHBondContact O-OG 3.33Å; K78-S81 PolarHBondContact O-N 3.44Å; K78-S81 PolarHBondContact O-OG 3.49Å; S81-T84 PolarHBondContact O-N 3.41Å; S81-F85 WeakPolarHBondContact O-CB 3.38Å; S81-F85 PolarHBondContact O-N 2.99Å |
| 82 | V | 87 | Confident | 88.1 | Confident | 61 Ų | 61 | 77.2 Ų | 77.2 | 37% | 0.37 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.3 | -44.6 | 178.2 | 172.3 | 0 | 0 | 0 | 0 | 111 | K78 W80 F85 K86 | K78-V82 WeakPolarHBondContact O-CG2 3.28Å; K78-V82 PolarHBondContact O-N 3.42Å; W80-V82 PolarHBondContact O-N 2.9Å; V82-F85 PolarHBondContact O-N 3.44Å; V82-K86 HydrophobicContact CG1-CD 4.06Å; V82-K86 VanDerWaalsContact O-CG 3.28Å; V82-K86 WeakPolarHBondContact O-CG 3.33Å; V82-K86 PolarHBondContact O-N 3.15Å |
| 83 | T | 87.9 | Confident | 88.4 | Confident | 13 Ų | 13 | 74.6 Ų | 74.6 | 8% | 0.08 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.6 | -42.4 | 179.6 | -58.1 | 0 | 0 | 0 | 0 | 111.2 | H79 W80 K86 C87 Y219 R269 | H79-T83 VanDerWaalsContact O-CB 3.28Å; H79-T83 WeakPolarHBondContact O-CB 3.21Å; H79-T83 PolarHBondContact O-N 2.96Å; H79-T83 PolarHBondContact O-OG1 2.9Å; W80-T83 PolarHBondContact O-N 2.66Å; T83-K86 PolarHBondContact O-N 3.2Å; T83-C87 PolarHBondContact O-N 3.28Å; T83-C87 PolarHBondContact O-SG 2.91Å; T83-Y219 WeakPolarHBondContact CG2-OH 3.29Å; T83-R269 PolarHBondContact OG1-NH2 3.32Å |
| 84 | T | 89.4 | Confident | 88.7 | Confident | 39 Ų | 39 | 69.6 Ų | 69.6 | 24% | 0.239 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61 | -45.8 | 176.2 | -61 | 0 | 0 | 0 | 0 | 111.1 | W80 S81 K86 C87 T88 | W80-T84 VanDerWaalsContact O-CB 3.23Å; W80-T84 WeakPolarHBondContact O-CB 3.35Å; W80-T84 PolarHBondContact O-N 3.36Å; W80-T84 PolarHBondContact O-OG1 2.89Å; S81-T84 PolarHBondContact O-N 3.41Å; T84-K86 PolarHBondContact O-N 3.45Å; T84-C87 PolarHBondContact O-N 2.71Å; T84-T88 WeakPolarHBondContact O-CB 3.46Å; T84-T88 PolarHBondContact O-N 2.92Å; T84-T88 PolarHBondContact O-OG1 3.21Å |
| 85 | F | 91.9 | Very high | 88.6 | Confident | 142 Ų | 142 | 72.7 Ų | 72.7 | 62% | 0.623 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -58.7 | -47.6 | 175.2 | 175.9 | -96.6 | 0 | 0 | 0 | 111.8 | S81 V82 C87 T88 K89 | S81-F85 WeakPolarHBondContact O-CB 3.38Å; S81-F85 PolarHBondContact O-N 2.99Å; V82-F85 PolarHBondContact O-N 3.44Å; F85-C87 PolarHBondContact O-N 3.24Å; F85-T88 WeakPolarHBondContact O-CB 3.4Å; F85-T88 PolarHBondContact O-N 2.94Å; F85-K89 PolarHBondContact O-N 3.39Å |
| 86 | K | 90.2 | Very high | 89 | Confident | 41 Ų | 41 | 74.8 Ų | 74.8 | 18% | 0.178 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.1 | -45.4 | 178.7 | -73.3 | 171.6 | 177.3 | -176.3 | 0 | 112.5 | V82 T83 T84 T88 K89 Q90 A218 E222 | V82-K86 HydrophobicContact CG1-CD 4.06Å; V82-K86 VanDerWaalsContact O-CG 3.28Å; V82-K86 WeakPolarHBondContact O-CG 3.33Å; V82-K86 PolarHBondContact O-N 3.15Å; T83-K86 PolarHBondContact O-N 3.2Å; T84-K86 PolarHBondContact O-N 3.45Å; K86-T88 VanDerWaalsContact C-N 3.31Å; K86-T88 PolarHBondContact O-N 3.43Å; K86-K89 WeakPolarHBondContact O-CB 3.22Å; K86-K89 PolarHBondContact O-N 3.08Å; K86-Q90 PolarHBondContact O-N 2.64Å; K86-A218 HydrophobicContact CB-CB 4.33Å; K86-E222 WeakPolarHBondContact CE-OE1 3.49Å; K86-E222 WeakPolarHBondContact CE-OE2 3.48Å; K86-E222 IonicContact NZ-OE1 2.63Å; K86-E222 PolarHBondContact NZ-OE1 3.03Å; K86-E222 IonicContact NZ-OE2 3.22Å; K86-E222 PolarHBondContact NZ-OE2 3.37Å |
| 87 | C | 91 | Very high | 89.1 | Confident | 20 Ų | 20 | 72.6 Ų | 72.6 | 14% | 0.135 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.9 | -39 | 176.6 | -63.3 | 0 | 0 | 0 | 0 | 111.8 | T83 T84 F85 Q90 M91 I214 Q215 | T83-C87 PolarHBondContact O-N 3.28Å; T83-C87 PolarHBondContact O-SG 2.91Å; T84-C87 PolarHBondContact O-N 2.71Å; F85-C87 PolarHBondContact O-N 3.24Å; C87-Q90 PolarHBondContact O-N 3.46Å; C87-M91 WeakPolarHBondContact O-CB 3.41Å; C87-M91 PolarHBondContact O-N 3.43Å; C87-I214 HydrophobicContact CB-CG2 3.86Å; C87-I214 WeakPolarHBondContact O-CG2 3.24Å; C87-Q215 WeakPolarHBondContact SG-CG 3.44Å |
| 88 | T | 92.1 | Very high | 88.9 | Confident | 62 Ų | 62 | 74.1 Ų | 74.1 | 38% | 0.38 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 176 | -55.2 | 0 | 0 | 0 | 0 | 111 | T84 F85 K86 M91 I92 | T84-T88 WeakPolarHBondContact O-CB 3.46Å; T84-T88 PolarHBondContact O-N 2.92Å; T84-T88 PolarHBondContact O-OG1 3.21Å; F85-T88 WeakPolarHBondContact O-CB 3.4Å; F85-T88 PolarHBondContact O-N 2.94Å; K86-T88 VanDerWaalsContact C-N 3.31Å; K86-T88 PolarHBondContact O-N 3.43Å; T88-M91 PolarHBondContact O-N 3.3Å; T88-I92 HydrophobicContact CG2-CD1 4.13Å; T88-I92 WeakPolarHBondContact O-CG1 3.45Å; T88-I92 PolarHBondContact O-N 2.93Å |
| 89 | K | 91.9 | Very high | 88.5 | Confident | 81 Ų | 81 | 69.2 Ų | 69.2 | 35% | 0.352 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.3 | -50.4 | 173.9 | -173.7 | -176.8 | -175.1 | -99.4 | 0 | 111 | F85 K86 M91 I92 E93 | F85-K89 PolarHBondContact O-N 3.39Å; K86-K89 WeakPolarHBondContact O-CB 3.22Å; K86-K89 PolarHBondContact O-N 3.08Å; K89-M91 VanDerWaalsContact C-N 3.34Å; K89-M91 PolarHBondContact O-N 2.95Å; K89-I92 PolarHBondContact O-N 2.99Å; K89-I92 VanDerWaalsContact O-N 3.14Å; K89-E93 WeakPolarHBondContact CE-OE1 3.44Å; K89-E93 HydrophobicContact CG-CG 4.39Å; K89-E93 IonicContact NZ-OE1 2.67Å; K89-E93 PolarHBondContact NZ-OE1 2.98Å; K89-E93 IonicContact NZ-OE2 3.94Å; K89-E93 WeakPolarHBondContact O-CG 3.46Å; K89-E93 PolarHBondContact O-N 3.23Å |
| 90 | Q | 91.4 | Very high | 88.4 | Confident | 3 Ų | 3 | 67.5 Ų | 67.5 | 1% | 0.014 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -55 | -48.6 | 176.9 | 179.1 | 61.9 | 27.8 | 0 | 0 | 111.4 | K86 C87 I92 E93 E94 S100 I214 D217 A218 N221 | K86-Q90 PolarHBondContact O-N 2.64Å; C87-Q90 PolarHBondContact O-N 3.46Å; Q90-I92 VanDerWaalsContact C-N 3.3Å; Q90-I92 PolarHBondContact O-N 3.44Å; Q90-E93 PolarHBondContact O-N 2.83Å; Q90-E94 HydrophobicContact CG-CG 4.48Å; Q90-E94 PolarHBondContact NE2-OE1 3.05Å; Q90-E94 VanDerWaalsContact O-CG 3.25Å; Q90-E94 WeakPolarHBondContact O-CG 3.35Å; Q90-E94 PolarHBondContact O-N 3.21Å; Q90-S100 PolarHBondContact NE2-O 3.24Å; Q90-I214 HydrophobicContact CB-CG2 4.23Å; Q90-I214 HydrophobicContact CG-CG2 4.14Å; Q90-D217 HydrophobicContact CG-CB 4.03Å; Q90-A218 HydrophobicContact CB-CB 4.07Å; Q90-A218 HydrophobicContact CG-CB 4.44Å; Q90-N221 PolarHBondContact OE1-ND2 3.1Å |
| 91 | M | 89.4 | Confident | 88.5 | Confident | 78 Ų | 78 | 65.5 Ų | 65.5 | 38% | 0.384 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.4 | -37.7 | 178.9 | -176.9 | 179.5 | 62.7 | 0 | 0 | 112.9 | C87 T88 K89 K95 | C87-M91 WeakPolarHBondContact O-CB 3.41Å; C87-M91 PolarHBondContact O-N 3.43Å; T88-M91 PolarHBondContact O-N 3.3Å; K89-M91 VanDerWaalsContact C-N 3.34Å; K89-M91 PolarHBondContact O-N 2.95Å; M91-K95 WeakPolarHBondContact O-CG 3.39Å; M91-K95 PolarHBondContact O-N 3.34Å |
| 92 | I | 89.8 | Confident | 88.3 | Confident | 90 Ų | 90 | 64 Ų | 64 | 46% | 0.462 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -69.4 | -46.4 | 176.6 | -67.2 | 167 | 0 | 0 | 0 | 110.3 | T88 K89 Q90 E94 K95 L96 | T88-I92 HydrophobicContact CG2-CD1 4.13Å; T88-I92 WeakPolarHBondContact O-CG1 3.45Å; T88-I92 PolarHBondContact O-N 2.93Å; K89-I92 PolarHBondContact O-N 2.99Å; K89-I92 VanDerWaalsContact O-N 3.14Å; Q90-I92 VanDerWaalsContact C-N 3.3Å; Q90-I92 PolarHBondContact O-N 3.44Å; I92-E94 VanDerWaalsContact C-N 3.3Å; I92-E94 PolarHBondContact O-N 2.72Å; I92-K95 WeakPolarHBondContact O-CB 3.5Å; I92-K95 PolarHBondContact O-N 3.31Å; I92-K95 VanDerWaalsContact O-N 3.14Å; I92-L96 HydrophobicContact CG2-CD1 3.96Å; I92-L96 HydrophobicContact CG2-CG 4.49Å; I92-L96 WeakPolarHBondContact O-CG 3.38Å; I92-L96 PolarHBondContact O-N 2.98Å |
| 93 | E | 89.5 | Confident | 88.3 | Confident | 45 Ų | 45 | 65 Ų | 65 | 21% | 0.21 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.5 | -35.1 | 179.9 | -69 | 175.5 | 162 | 0 | 0 | 112.3 | K89 Q90 L96 G97 T98 A99 | K89-E93 WeakPolarHBondContact CE-OE1 3.44Å; K89-E93 HydrophobicContact CG-CG 4.39Å; K89-E93 IonicContact NZ-OE1 2.67Å; K89-E93 PolarHBondContact NZ-OE1 2.98Å; K89-E93 IonicContact NZ-OE2 3.94Å; K89-E93 WeakPolarHBondContact O-CG 3.46Å; K89-E93 PolarHBondContact O-N 3.23Å; Q90-E93 PolarHBondContact O-N 2.83Å; E93-L96 PolarHBondContact O-N 3.25Å; E93-G97 PolarHBondContact O-N 3.33Å; E93-G97 VanDerWaalsContact O-N 3.07Å; E93-T98 PolarHBondContact O-N 3.23Å; E93-T98 PolarHBondContact O-OG1 3.19Å; E93-A99 HydrophobicContact CB-CB 3.55Å; E93-A99 PolarHBondContact O-N 3.38Å |
| 94 | E | 90.2 | Very high | 88.4 | Confident | 38 Ų | 38 | 65.8 Ų | 65.8 | 18% | 0.178 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 172.7 | -70.8 | -179.6 | -176.6 | 0 | 0 | 112.2 | Q90 I92 L96 G97 A99 V101 R213 | Q90-E94 HydrophobicContact CG-CG 4.48Å; Q90-E94 PolarHBondContact NE2-OE1 3.05Å; Q90-E94 VanDerWaalsContact O-CG 3.25Å; Q90-E94 WeakPolarHBondContact O-CG 3.35Å; Q90-E94 PolarHBondContact O-N 3.21Å; I92-E94 VanDerWaalsContact C-N 3.3Å; I92-E94 PolarHBondContact O-N 2.72Å; E94-L96 VanDerWaalsContact C-N 3.26Å; E94-L96 PolarHBondContact O-N 2.92Å; E94-G97 PolarHBondContact O-N 3.14Å; E94-G97 VanDerWaalsContact O-N 3.08Å; E94-A99 HydrophobicContact CG-CB 4.19Å; E94-V101 HydrophobicContact CB-CG2 4.24Å; E94-V101 HydrophobicContact CG-CG2 3.66Å; E94-R213 IonicContact OE1-CZ 2.63Å; E94-R213 IonicContact OE1-NH1 3.09Å; E94-R213 PolarHBondContact OE1-NH1 3.32Å; E94-R213 IonicContact OE1-NH2 3.47Å; E94-R213 PolarHBondContact OE1-NH2 3.43Å; E94-R213 IonicContact OE2-CZ 2.86Å; E94-R213 IonicContact OE2-NH1 2.8Å; E94-R213 PolarHBondContact OE2-NH1 3.08Å; E94-R213 IonicContact OE2-NH2 3.13Å; E94-R213 PolarHBondContact OE2-NH2 2.96Å |
| 95 | K | 86.7 | Confident | 88.5 | Confident | 161 Ų | 161 | 69.6 Ų | 69.6 | 70% | 0.7 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -65.5 | -30.4 | 176.2 | -74.3 | -177.1 | 179 | -171.2 | 0 | 112.7 | M91 I92 G97 | M91-K95 WeakPolarHBondContact O-CG 3.39Å; M91-K95 PolarHBondContact O-N 3.34Å; I92-K95 WeakPolarHBondContact O-CB 3.5Å; I92-K95 PolarHBondContact O-N 3.31Å; I92-K95 VanDerWaalsContact O-N 3.14Å; K95-G97 VanDerWaalsContact C-N 3.3Å |
| 96 | L | 89.3 | Confident | 88.5 | Confident | 126 Ų | 126 | 69.2 Ų | 69.2 | 66% | 0.66 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -7.9 | 175 | -65 | 173.1 | 0 | 0 | 0 | 112.8 | I92 E93 E94 T98 | I92-L96 HydrophobicContact CG2-CD1 3.96Å; I92-L96 HydrophobicContact CG2-CG 4.49Å; I92-L96 WeakPolarHBondContact O-CG 3.38Å; I92-L96 PolarHBondContact O-N 2.98Å; E93-L96 PolarHBondContact O-N 3.25Å; E94-L96 VanDerWaalsContact C-N 3.26Å; E94-L96 PolarHBondContact O-N 2.92Å; L96-T98 VanDerWaalsContact C-N 3.26Å; L96-T98 HydrophobicContact CB-CG2 4.15Å; L96-T98 PolarHBondContact O-N 2.88Å |
| 97 | G | 84.9 | Confident | 88.7 | Confident | 66 Ų | 66 | 67.3 Ų | 67.3 | 68% | 0.68 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.2 | 14.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | E93 E94 K95 | E93-G97 PolarHBondContact O-N 3.33Å; E93-G97 VanDerWaalsContact O-N 3.07Å; E94-G97 PolarHBondContact O-N 3.14Å; E94-G97 VanDerWaalsContact O-N 3.08Å; K95-G97 VanDerWaalsContact C-N 3.3Å |
| 98 | T | 84.5 | Confident | 88.9 | Confident | 102 Ų | 102 | 68.9 Ų | 68.9 | 63% | 0.626 | 38% | 0.379 | S | S | * | . | trans | -95.7 | -11.1 | -175.6 | 59.5 | 0 | 0 | 0 | 0 | 113.5 | E93 L96 | E93-T98 PolarHBondContact O-N 3.23Å; E93-T98 PolarHBondContact O-OG1 3.19Å; L96-T98 VanDerWaalsContact C-N 3.26Å; L96-T98 HydrophobicContact CB-CG2 4.15Å; L96-T98 PolarHBondContact O-N 2.88Å | ||
| 99 | A | 80.6 | Confident | 89 | Confident | 19 Ų | 19 | 69.8 Ų | 69.8 | 16% | 0.157 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -109.2 | 148.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | E93 E94 | E93-A99 HydrophobicContact CB-CB 3.55Å; E93-A99 PolarHBondContact O-N 3.38Å; E94-A99 HydrophobicContact CG-CB 4.19Å |
| 100 | S | 82.9 | Confident | 89.3 | Confident | 59 Ų | 59 | 68.6 Ų | 68.6 | 41% | 0.413 | 38% | 0.375 | S | S | . | . | trans | -70.9 | 134.2 | 168.6 | 65.2 | 0 | 0 | 0 | 0 | 110.7 | Q90 R220 N221 | Q90-S100 PolarHBondContact NE2-O 3.24Å; S100-R220 PolarHBondContact O-NH2 3.4Å; S100-R220 PolarHBondContact OG-NH2 3.39Å; S100-N221 PolarHBondContact OG-OD1 2.78Å | ||
| 101 | V | 87.5 | Confident | 89.5 | Confident | 73 Ų | 73 | 68.4 Ų | 68.4 | 44% | 0.442 | 37% | 0.374 | S | S | . | . | trans | -111.8 | 130.3 | -177.8 | 174.8 | 0 | 0 | 0 | 0 | 109 | E94 C103 | E94-V101 HydrophobicContact CB-CG2 4.24Å; E94-V101 HydrophobicContact CG-CG2 3.66Å; V101-C103 PolarHBondContact O-N 3.01Å | ||
| 102 | T | 86.5 | Confident | 89.9 | Confident | 26 Ų | 26 | 68.1 Ų | 68.1 | 16% | 0.16 | 38% | 0.38 | C | S | . | . | trans | -72.1 | 112.8 | 165.4 | -65.5 | 0 | 0 | 0 | 0 | 109.3 | R213 Y216 D217 R220 Y277 | T102-R213 VanDerWaalsContact O-CD 3.24Å; T102-R213 WeakPolarHBondContact O-CD 3.17Å; T102-Y216 HydrophobicContact CG2-CD1 4.47Å; T102-Y216 HydrophobicContact CG2-CE1 4.34Å; T102-Y216 WeakPolarHBondContact OG1-CD1 3.37Å; T102-Y216 VanDerWaalsContact OG1-CE1 3.29Å; T102-Y216 WeakPolarHBondContact OG1-CE1 3.42Å; T102-D217 WeakPolarHBondContact CB-OD1 3.4Å; T102-D217 PolarHBondContact N-OD1 2.85Å; T102-D217 PolarHBondContact N-OD2 3.32Å; T102-D217 PolarHBondContact OG1-OD1 3.06Å; T102-R220 PolarHBondContact OG1-NH1 2.97Å; T102-Y277 HydrophobicContact CG2-CE1 3.75Å | ||
| 103 | C | 86.3 | Confident | 90.1 | Very high | 82 Ų | 82 | 70 Ų | 70 | 55% | 0.554 | 39% | 0.388 | S | S | * | . | trans | -122.7 | 127.6 | -175.7 | -171.1 | 0 | 0 | 0 | 0 | 111.3 | V101 | V101-C103 PolarHBondContact O-N 3.01Š| ||
| 104 | D | 89.6 | Confident | 90.5 | Very high | 28 Ų | 28 | 68.1 Ų | 68.1 | 15% | 0.15 | 38% | 0.379 | C | S | . | . | trans | -111.9 | 99 | 165.7 | 177.6 | -11.7 | 0 | 0 | 0 | 107.8 | E106 L107 E108 R281 | D104-E106 VanDerWaalsContact C-N 3.29Å; D104-E106 PolarHBondContact O-N 3.42Å; D104-E106 PolarHBondContact OD1-N 3.1Å; D104-L107 HydrophobicContact CB-CB 4.03Å; D104-L107 PolarHBondContact O-N 3.13Å; D104-L107 PolarHBondContact OD1-N 3.3Å; D104-E108 WeakPolarHBondContact O-CG 3.31Å; D104-E108 PolarHBondContact O-N 3.26Å; D104-R281 IonicContact OD2-CZ 3.09Å; D104-R281 IonicContact OD2-NE 3.5Å; D104-R281 PolarHBondContact OD2-NE 3.41Å; D104-R281 IonicContact OD2-NH2 2.68Å; D104-R281 PolarHBondContact OD2-NH2 3.35Å | ||
| 105 | Q | 91.4 | Very high | 90.8 | Very high | 119 Ų | 119 | 69.4 Ų | 69.4 | 56% | 0.556 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -62.1 | -36.2 | -171.6 | -170.9 | 61.1 | 57.3 | 0 | 0 | 112.7 | N109 | Q105-N109 PolarHBondContact NE2-OD1 3.47Å; Q105-N109 WeakPolarHBondContact O-CB 3.39Å; Q105-N109 PolarHBondContact O-N 2.99Å; Q105-N109 PolarHBondContact O-ND2 3.43Å; Q105-N109 PolarHBondContact O-OD1 2.84Å |
| 106 | E | 93.2 | Very high | 91.3 | Very high | 134 Ų | 134 | 65.7 Ų | 65.7 | 63% | 0.626 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -67.1 | -46.3 | 179.7 | -172.9 | -173.4 | 159.9 | 0 | 0 | 110.6 | D104 N109 R110 | D104-E106 VanDerWaalsContact C-N 3.29Å; D104-E106 PolarHBondContact O-N 3.42Å; D104-E106 PolarHBondContact OD1-N 3.1Å; E106-N109 WeakPolarHBondContact O-CB 3.21Å; E106-N109 PolarHBondContact O-N 3.34Å; E106-R110 WeakPolarHBondContact O-CG 3.42Å; E106-R110 PolarHBondContact O-N 3.15Å |
| 107 | L | 94.5 | Very high | 91.6 | Very high | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.7 | -41.8 | 177.9 | 178.9 | 57.2 | 0 | 0 | 0 | 112.2 | D104 N109 R110 I111 M209 R281 V284 L285 L288 | D104-L107 HydrophobicContact CB-CB 4.03Å; D104-L107 PolarHBondContact O-N 3.13Å; D104-L107 PolarHBondContact OD1-N 3.3Å; L107-N109 VanDerWaalsContact C-N 3.29Å; L107-N109 PolarHBondContact O-N 3.17Å; L107-R110 WeakPolarHBondContact O-CB 3.48Å; L107-R110 PolarHBondContact O-N 3.46Å; L107-R110 VanDerWaalsContact O-N 3.15Å; L107-I111 HydrophobicContact CD1-CD1 4.04Å; L107-I111 HydrophobicContact CD1-CG1 4.14Å; L107-I111 HydrophobicContact CG-CD1 3.87Å; L107-I111 HydrophobicContact CG-CG1 4.41Å; L107-I111 WeakPolarHBondContact O-CG1 3.5Å; L107-I111 PolarHBondContact O-N 3.4Å; L107-M209 HydrophobicContact CD2-CE 4.28Å; L107-M209 HydrophobicContact CD2-SD 3.61Å; L107-R281 HydrophobicContact CD2-CG 3.66Å; L107-V284 HydrophobicContact CD1-CG1 3.89Å; L107-L285 HydrophobicContact CD1-CD2 3.75Å; L107-L285 HydrophobicContact CD1-CG 4.18Å; L107-L288 HydrophobicContact CD1-CD1 4.28Å |
| 108 | E | 94.2 | Very high | 92.2 | Very high | 52 Ų | 52 | 60.1 Ų | 60.1 | 24% | 0.243 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.4 | -38 | 176.3 | -73.2 | -58.9 | 147.5 | 0 | 0 | 111.7 | D104 I111 S112 | D104-E108 WeakPolarHBondContact O-CG 3.31Å; D104-E108 PolarHBondContact O-N 3.26Å; E108-I111 PolarHBondContact O-N 3.09Å; E108-S112 WeakPolarHBondContact O-CB 3.25Å; E108-S112 PolarHBondContact O-N 2.74Å |
| 109 | N | 95.5 | Very high | 92.8 | Very high | 82 Ų | 82 | 60.1 Ų | 60.1 | 44% | 0.439 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 172.3 | -68.5 | -15.5 | 0 | 0 | 0 | 111.4 | Q105 E106 L107 I111 S112 M113 | Q105-N109 PolarHBondContact NE2-OD1 3.47Å; Q105-N109 WeakPolarHBondContact O-CB 3.39Å; Q105-N109 PolarHBondContact O-N 2.99Å; Q105-N109 PolarHBondContact O-ND2 3.43Å; Q105-N109 PolarHBondContact O-OD1 2.84Å; E106-N109 WeakPolarHBondContact O-CB 3.21Å; E106-N109 PolarHBondContact O-N 3.34Å; L107-N109 VanDerWaalsContact C-N 3.29Å; L107-N109 PolarHBondContact O-N 3.17Å; N109-I111 PolarHBondContact O-N 3.22Å; N109-S112 WeakPolarHBondContact O-CB 3.45Å; N109-S112 PolarHBondContact O-N 3.31Å; N109-M113 WeakPolarHBondContact O-CG 3.46Å; N109-M113 PolarHBondContact O-N 3.24Å |
| 110 | R | 96.4 | Very high | 93.6 | Very high | 55 Ų | 55 | 64 Ų | 64 | 21% | 0.208 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 175.6 | -71.3 | 178.4 | 67 | 164.7 | -2 | 112 | E106 L107 M113 F114 L285 L288 E289 | E106-R110 WeakPolarHBondContact O-CG 3.42Å; E106-R110 PolarHBondContact O-N 3.15Å; L107-R110 WeakPolarHBondContact O-CB 3.48Å; L107-R110 PolarHBondContact O-N 3.46Å; L107-R110 VanDerWaalsContact O-N 3.15Å; R110-M113 HydrophobicContact CG-CE 4.29Å; R110-M113 PolarHBondContact O-N 3.34Å; R110-F114 WeakPolarHBondContact O-CB 3.39Å; R110-F114 PolarHBondContact O-N 3.42Å; R110-L285 PolarHBondContact NH2-O 3.02Å; R110-L288 HydrophobicContact CB-CD1 4.11Å; R110-E289 IonicContact CZ-OE1 3.72Å; R110-E289 IonicContact NH1-OE1 3.51Å; R110-E289 PolarHBondContact NH1-OE1 3.01Å; R110-E289 VanDerWaalsContact NH1-OE1 3.09Å; R110-E289 IonicContact NH2-OE1 4Å; R110-E289 PolarHBondContact NH2-OE1 2.86Å |
| 111 | I | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.1 | -39 | 176.8 | -68.6 | 168 | 0 | 0 | 0 | 111.1 | L107 E108 N109 F114 R115 V206 M209 V284 L288 | L107-I111 HydrophobicContact CD1-CD1 4.04Å; L107-I111 HydrophobicContact CD1-CG1 4.14Å; L107-I111 HydrophobicContact CG-CD1 3.87Å; L107-I111 HydrophobicContact CG-CG1 4.41Å; L107-I111 WeakPolarHBondContact O-CG1 3.5Å; L107-I111 PolarHBondContact O-N 3.4Å; E108-I111 PolarHBondContact O-N 3.09Å; N109-I111 PolarHBondContact O-N 3.22Å; I111-F114 PolarHBondContact O-N 2.92Å; I111-R115 VanDerWaalsContact CG2-CZ 3.44Å; I111-R115 WeakPolarHBondContact O-CG 3.43Å; I111-R115 PolarHBondContact O-N 2.91Å; I111-V206 HydrophobicContact CD1-CG1 4.13Å; I111-V206 HydrophobicContact CG1-CG1 4.38Å; I111-V206 HydrophobicContact CG1-CG2 4.45Å; I111-V206 HydrophobicContact CG2-CG1 4.01Å; I111-M209 HydrophobicContact CD1-CE 3.74Å; I111-V284 HydrophobicContact CD1-CG1 4.48Å; I111-V284 HydrophobicContact CG1-CG1 4.49Å; I111-L288 HydrophobicContact CG1-CD1 4.45Å |
| 112 | S | 96.3 | Very high | 94.8 | Very high | 72 Ų | 72 | 65 Ų | 65 | 50% | 0.503 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.4 | -46.9 | 175.9 | -174.3 | 0 | 0 | 0 | 0 | 112 | E108 N109 F114 R115 N116 | E108-S112 WeakPolarHBondContact O-CB 3.25Å; E108-S112 PolarHBondContact O-N 2.74Å; N109-S112 WeakPolarHBondContact O-CB 3.45Å; N109-S112 PolarHBondContact O-N 3.31Å; S112-F114 VanDerWaalsContact C-N 3.34Å; S112-F114 PolarHBondContact O-N 2.87Å; S112-R115 WeakPolarHBondContact O-CB 3.44Å; S112-R115 PolarHBondContact O-N 3.38Å; S112-N116 PolarHBondContact O-N 3.4Å |
| 113 | M | 96 | Very high | 95.3 | Very high | 128 Ų | 128 | 68.3 Ų | 68.3 | 63% | 0.631 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -60.6 | -43.4 | 174.3 | -70.2 | -172.2 | -68.3 | 0 | 0 | 111.9 | N109 R110 R115 N116 M117 | N109-M113 WeakPolarHBondContact O-CG 3.46Å; N109-M113 PolarHBondContact O-N 3.24Å; R110-M113 HydrophobicContact CG-CE 4.29Å; R110-M113 PolarHBondContact O-N 3.34Å; M113-R115 PolarHBondContact O-N 3.43Å; M113-N116 PolarHBondContact O-N 2.9Å; M113-M117 WeakPolarHBondContact O-CB 3.3Å; M113-M117 PolarHBondContact O-N 3.48Å |
| 114 | F | 97 | Very high | 95.9 | Very high | 7 Ų | 7 | 67.6 Ų | 67.6 | 3% | 0.031 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.5 | -42.4 | 175.3 | 164.8 | -115 | 0 | 0 | 0 | 112.6 | R110 I111 S112 M117 H118 F199 T202 W203 V206 L288 L291 | R110-F114 WeakPolarHBondContact O-CB 3.39Å; R110-F114 PolarHBondContact O-N 3.42Å; I111-F114 PolarHBondContact O-N 2.92Å; S112-F114 VanDerWaalsContact C-N 3.34Å; S112-F114 PolarHBondContact O-N 2.87Å; F114-M117 HydrophobicContact CD2-CE 3.91Å; F114-M117 WeakPolarHBondContact O-CB 3.32Å; F114-M117 PolarHBondContact O-N 3.43Å; F114-H118 PolarHBondContact O-N 3.24Å; F114-F199 HydrophobicContact CD2-CD1 4.18Å; F114-F199 HydrophobicContact CD2-CE1 4.17Å; F114-F199 AromaticContact CE2-CD1 3.41Å; F114-F199 HydrophobicContact CE2-CD1 3.41Å; F114-F199 VanDerWaalsContact CE2-CD1 3.41Å; F114-F199 AromaticContact CE2-CE1 3.84Å; F114-F199 HydrophobicContact CE2-CE1 3.84Å; F114-F199 HydrophobicContact CE2-CG 4.38Å; F114-F199 HydrophobicContact CZ-CD1 4.13Å; F114-T202 HydrophobicContact CE1-CG2 4.11Å; F114-T202 HydrophobicContact CE2-CG2 4.03Å; F114-T202 HydrophobicContact CZ-CG2 3.73Å; F114-W203 HydrophobicContact CD1-CE3 4.46Å; F114-W203 AromaticContact CE1-CE3 3.72Å; F114-W203 HydrophobicContact CE1-CE3 3.72Å; F114-W203 HydrophobicContact CE1-CZ3 4.37Å; F114-W203 HydrophobicContact CZ-CB 4.48Å; F114-W203 HydrophobicContact CZ-CE3 4.46Å; F114-V206 HydrophobicContact CE1-CG2 4.35Å; F114-L288 HydrophobicContact CB-CD2 3.78Å; F114-L288 HydrophobicContact CD1-CD2 3.96Å; F114-L288 HydrophobicContact CD2-CD2 3.97Å; F114-L288 HydrophobicContact CG-CD2 3.63Å; F114-L291 HydrophobicContact CD2-CD2 3.78Å; F114-L291 HydrophobicContact CE2-CD2 3.28Å; F114-L291 HydrophobicContact CZ-CD2 4.26Å |
| 115 | R | 96.5 | Very high | 96.3 | Very high | 65 Ų | 65 | 67.8 Ų | 67.8 | 25% | 0.245 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60 | -48.7 | 175.3 | -80.1 | 171.7 | 178.5 | 144.8 | 5.1 | 112.2 | I111 S112 M113 M117 H118 Q119 W203 | I111-R115 VanDerWaalsContact CG2-CZ 3.44Å; I111-R115 WeakPolarHBondContact O-CG 3.43Å; I111-R115 PolarHBondContact O-N 2.91Å; S112-R115 WeakPolarHBondContact O-CB 3.44Å; S112-R115 PolarHBondContact O-N 3.38Å; M113-R115 PolarHBondContact O-N 3.43Å; R115-M117 VanDerWaalsContact C-N 3.34Å; R115-H118 PolarHBondContact O-N 2.94Å; R115-Q119 WeakPolarHBondContact O-CG 3.47Å; R115-Q119 PolarHBondContact O-N 3.33Å; R115-Q119 VanDerWaalsContact O-N 3.11Å; R115-W203 HydrophobicContact CG-CH2 4.08Å; R115-W203 HydrophobicContact CG-CZ3 3.54Å; R115-W203 VanDerWaalsContact NE-CH2 3.32Å |
| 116 | N | 96.8 | Very high | 96.6 | Very high | 82 Ų | 82 | 65.2 Ų | 65.2 | 44% | 0.439 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.9 | -48.2 | 176.3 | -176.8 | -1.6 | 0 | 0 | 0 | 110.1 | S112 M113 H118 Q119 Q120 | S112-N116 PolarHBondContact O-N 3.4Å; M113-N116 PolarHBondContact O-N 2.9Å; N116-H118 VanDerWaalsContact C-N 3.33Å; N116-H118 PolarHBondContact O-N 3Å; N116-Q119 WeakPolarHBondContact O-CA 3.31Å; N116-Q119 WeakPolarHBondContact O-CB 3.48Å; N116-Q119 PolarHBondContact O-N 2.99Å; N116-Q120 WeakPolarHBondContact O-CG 3.1Å; N116-Q120 PolarHBondContact O-N 3.3Å; N116-Q120 WeakPolarHBondContact OD1-CG 3.43Å; N116-Q120 PolarHBondContact OD1-NE2 3.1Å |
| 117 | M | 96.3 | Very high | 96.9 | Very high | 39 Ų | 39 | 63.4 Ų | 63.4 | 19% | 0.192 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -55.9 | -45.3 | 177.4 | -175.7 | 177.3 | 74.6 | 0 | 0 | 112.5 | M113 F114 R115 Q119 Q120 Y121 F199 L291 R295 | M113-M117 WeakPolarHBondContact O-CB 3.3Å; M113-M117 PolarHBondContact O-N 3.48Å; F114-M117 HydrophobicContact CD2-CE 3.91Å; F114-M117 WeakPolarHBondContact O-CB 3.32Å; F114-M117 PolarHBondContact O-N 3.43Å; R115-M117 VanDerWaalsContact C-N 3.34Å; M117-Q119 VanDerWaalsContact C-N 3.31Å; M117-Q119 PolarHBondContact O-N 2.96Å; M117-Q120 PolarHBondContact O-N 2.93Å; M117-Y121 HydrophobicContact CG-CD2 4.02Å; M117-Y121 HydrophobicContact CG-CE2 3.89Å; M117-Y121 WeakPolarHBondContact O-CD2 3.34Å; M117-Y121 PolarHBondContact O-N 3.27Å; M117-F199 HydrophobicContact CE-CE1 3.57Å; M117-F199 HydrophobicContact CE-CZ 3.74Å; M117-F199 HydrophobicContact CG-CE1 4.21Å; M117-F199 HydrophobicContact CG-CZ 4.09Å; M117-F199 HydrophobicContact SD-CZ 4.49Å; M117-L291 HydrophobicContact CE-CD2 4.36Å; M117-R295 WeakPolarHBondContact SD-CD 3.33Å; M117-R295 PolarHBondContact SD-NE 3.5Å; M117-R295 PolarHBondContact SD-NH1 2.8Å |
| 118 | H | 96.8 | Very high | 97 | Very high | 36 Ų | 36 | 63.8 Ų | 63.8 | 17% | 0.167 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.2 | -43.5 | 175.3 | -175.2 | -166.8 | 0 | 0 | 0 | 111.7 | F114 R115 N116 Y121 K122 F199 | F114-H118 PolarHBondContact O-N 3.24Å; R115-H118 PolarHBondContact O-N 2.94Å; N116-H118 VanDerWaalsContact C-N 3.33Å; N116-H118 PolarHBondContact O-N 3Å; H118-Y121 PolarHBondContact O-N 3.36Å; H118-K122 WeakPolarHBondContact O-CG 3.45Å; H118-K122 PolarHBondContact O-N 3.08Å; H118-F199 HydrophobicContact CB-CD1 3.57Å; H118-F199 HydrophobicContact CB-CE1 3.75Å; H118-F199 AromaticContact CD2-CD1 3.85Å; H118-F199 AromaticContact CG-CD1 3.71Å |
| 119 | Q | 97.2 | Very high | 97.2 | Very high | 102 Ų | 102 | 65.3 Ų | 65.3 | 48% | 0.477 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 176.6 | -69.4 | 174.1 | -23.9 | 0 | 0 | 112.5 | R115 N116 M117 Y121 K122 L123 | R115-Q119 WeakPolarHBondContact O-CG 3.47Å; R115-Q119 PolarHBondContact O-N 3.33Å; R115-Q119 VanDerWaalsContact O-N 3.11Å; N116-Q119 WeakPolarHBondContact O-CA 3.31Å; N116-Q119 WeakPolarHBondContact O-CB 3.48Å; N116-Q119 PolarHBondContact O-N 2.99Å; M117-Q119 VanDerWaalsContact C-N 3.31Å; M117-Q119 PolarHBondContact O-N 2.96Å; Q119-Y121 VanDerWaalsContact C-N 3.32Å; Q119-Y121 PolarHBondContact O-N 3.45Å; Q119-K122 PolarHBondContact O-N 3.29Å; Q119-L123 PolarHBondContact O-N 3.25Å |
| 120 | Q | 97.5 | Very high | 97.4 | Very high | 102 Ų | 102 | 67.4 Ų | 67.4 | 48% | 0.477 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.6 | -41 | 177.5 | -62 | -53.2 | -34.1 | 0 | 0 | 111.8 | N116 M117 L123 L124 | N116-Q120 WeakPolarHBondContact O-CG 3.1Å; N116-Q120 PolarHBondContact O-N 3.3Å; N116-Q120 WeakPolarHBondContact OD1-CG 3.43Å; N116-Q120 PolarHBondContact OD1-NE2 3.1Å; M117-Q120 PolarHBondContact O-N 2.93Å; Q120-L123 PolarHBondContact O-N 3.11Å; Q120-L124 WeakPolarHBondContact O-CB 3.41Å; Q120-L124 PolarHBondContact O-N 3.12Å |
| 121 | Y | 97.8 | Very high | 97.5 | Very high | 30 Ų | 30 | 69.5 Ų | 69.5 | 12% | 0.118 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.3 | -38.2 | 178.2 | -84.6 | -114.8 | 0 | 0 | 0 | 111.9 | M117 H118 Q119 L123 L124 H125 L191 L194 I195 F199 R295 M299 | M117-Y121 HydrophobicContact CG-CD2 4.02Å; M117-Y121 HydrophobicContact CG-CE2 3.89Å; M117-Y121 WeakPolarHBondContact O-CD2 3.34Å; M117-Y121 PolarHBondContact O-N 3.27Å; H118-Y121 PolarHBondContact O-N 3.36Å; Q119-Y121 VanDerWaalsContact C-N 3.32Å; Q119-Y121 PolarHBondContact O-N 3.45Å; Y121-L123 VanDerWaalsContact C-N 3.34Å; Y121-L123 PolarHBondContact O-N 3.26Å; Y121-L124 PolarHBondContact O-N 3.49Å; Y121-H125 WeakPolarHBondContact O-CB 3.45Å; Y121-H125 PolarHBondContact O-N 3.04Å; Y121-L191 HydrophobicContact CD1-CD2 4.24Å; Y121-L194 HydrophobicContact CD1-CD2 3.84Å; Y121-L194 HydrophobicContact CE1-CD2 3.65Å; Y121-I195 WeakPolarHBondContact O-CD1 3.4Å; Y121-F199 HydrophobicContact CD1-CE2 4.07Å; Y121-F199 HydrophobicContact CD1-CZ 4.33Å; Y121-F199 HydrophobicContact CD2-CZ 4.27Å; Y121-F199 HydrophobicContact CG-CE2 4.18Å; Y121-F199 HydrophobicContact CG-CZ 4.08Å; Y121-R295 HydrophobicContact CE1-CG 3.95Å; Y121-R295 WeakPolarHBondContact OH-CD 3.49Å; Y121-R295 WeakPolarHBondContact OH-CG 3.32Å; Y121-R295 PolarHBondContact OH-NH1 2.53Å; Y121-R295 VanDerWaalsContact OH-NH1 3.13Å; Y121-M299 HydrophobicContact CD1-SD 4.45Å; Y121-M299 HydrophobicContact CE1-CE 4.11Å; Y121-M299 HydrophobicContact CE1-CG 3.58Å; Y121-M299 HydrophobicContact CE1-SD 3.68Å; Y121-M299 WeakPolarHBondContact OH-CG 3.4Å |
| 122 | K | 97.7 | Very high | 97.5 | Very high | 122 Ų | 122 | 69.6 Ų | 69.6 | 53% | 0.53 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 172.5 | -73.6 | -177 | 68.6 | 170.4 | 0 | 112.4 | H118 Q119 N126 I195 | H118-K122 WeakPolarHBondContact O-CG 3.45Å; H118-K122 PolarHBondContact O-N 3.08Å; Q119-K122 PolarHBondContact O-N 3.29Å; K122-N126 PolarHBondContact O-N 3.35Å; K122-I195 HydrophobicContact CG-CD1 4.46Å; K122-I195 HydrophobicContact CG-CG2 3.92Å |
| 123 | L | 98.2 | Very high | 97.6 | Very high | 96 Ų | 96 | 69.5 Ų | 69.5 | 50% | 0.503 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.1 | -47.1 | 175 | 178.7 | 61.5 | 0 | 0 | 0 | 110.9 | Q119 Q120 Y121 H125 N126 L127 | Q119-L123 PolarHBondContact O-N 3.25Å; Q120-L123 PolarHBondContact O-N 3.11Å; Y121-L123 VanDerWaalsContact C-N 3.34Å; Y121-L123 PolarHBondContact O-N 3.26Å; L123-H125 PolarHBondContact O-N 3.34Å; L123-N126 PolarHBondContact O-N 2.89Å; L123-L127 HydrophobicContact CD1-CD1 4.34Å; L123-L127 HydrophobicContact CD1-CG 4.42Å; L123-L127 HydrophobicContact CG-CD1 4.19Å; L123-L127 WeakPolarHBondContact O-CG 3.21Å; L123-L127 PolarHBondContact O-N 3.32Å |
| 124 | L | 98 | Very high | 97.7 | Very high | 66 Ų | 66 | 67 Ų | 67 | 35% | 0.346 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.5 | -45.8 | 177.2 | 179.9 | 62 | 0 | 0 | 0 | 111.9 | Q120 Y121 N126 L127 A128 L191 M299 | Q120-L124 WeakPolarHBondContact O-CB 3.41Å; Q120-L124 PolarHBondContact O-N 3.12Å; Y121-L124 PolarHBondContact O-N 3.49Å; L124-N126 PolarHBondContact O-N 3.44Å; L124-L127 PolarHBondContact O-N 2.88Å; L124-A128 WeakPolarHBondContact O-CB 3.37Å; L124-A128 PolarHBondContact O-N 3.06Å; L124-L191 HydrophobicContact CD2-CD1 4.24Å; L124-L191 HydrophobicContact CD2-CD2 4.29Å; L124-L191 HydrophobicContact CG-CD1 4Å; L124-M299 HydrophobicContact CD2-CE 4.16Å |
| 125 | H | 98.2 | Very high | 97.7 | Very high | 33 Ų | 33 | 68 Ų | 68 | 15% | 0.153 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.4 | -48.8 | 175.4 | 172.9 | -83.7 | 0 | 0 | 0 | 111.7 | Y121 L123 L127 A128 E129 L191 I195 | Y121-H125 WeakPolarHBondContact O-CB 3.45Å; Y121-H125 PolarHBondContact O-N 3.04Å; L123-H125 PolarHBondContact O-N 3.34Å; H125-L127 VanDerWaalsContact C-N 3.31Å; H125-L127 PolarHBondContact O-N 3.37Å; H125-A128 PolarHBondContact O-N 3.41Å; H125-E129 IonicContact CE1-OE2 3.39Å; H125-E129 WeakPolarHBondContact O-CB 3.48Å; H125-E129 PolarHBondContact O-N 3.49Å; H125-L191 HydrophobicContact CB-CB 4.33Å; H125-L191 HydrophobicContact CB-CD1 4.41Å; H125-I195 HydrophobicContact CB-CD1 3.65Å |
| 126 | N | 98.1 | Very high | 97.8 | Very high | 64 Ų | 64 | 69 Ų | 69 | 34% | 0.342 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.7 | -41 | 179 | -171.9 | -76.6 | 0 | 0 | 0 | 112.3 | K122 L123 L124 K130 | K122-N126 PolarHBondContact O-N 3.35Å; L123-N126 PolarHBondContact O-N 2.89Å; L124-N126 PolarHBondContact O-N 3.44Å; N126-K130 WeakPolarHBondContact O-CB 3.5Å; N126-K130 WeakPolarHBondContact O-CG 3.14Å; N126-K130 PolarHBondContact O-N 3.05Å; N126-K130 WeakPolarHBondContact OD1-CD 3.47Å; N126-K130 WeakPolarHBondContact OD1-CE 3.43Å; N126-K130 PolarHBondContact OD1-NZ 3.26Å |
| 127 | L | 98.5 | Very high | 97.9 | Very high | 96 Ų | 96 | 69.9 Ų | 69.9 | 50% | 0.503 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.6 | -42.7 | 176.7 | -70 | 171.8 | 0 | 0 | 0 | 111.9 | L123 L124 H125 K130 L131 | L123-L127 HydrophobicContact CD1-CD1 4.34Å; L123-L127 HydrophobicContact CD1-CG 4.42Å; L123-L127 HydrophobicContact CG-CD1 4.19Å; L123-L127 WeakPolarHBondContact O-CG 3.21Å; L123-L127 PolarHBondContact O-N 3.32Å; L124-L127 PolarHBondContact O-N 2.88Å; H125-L127 VanDerWaalsContact C-N 3.31Å; H125-L127 PolarHBondContact O-N 3.37Å; L127-K130 PolarHBondContact O-N 3.15Å; L127-L131 WeakPolarHBondContact O-CB 3.46Å; L127-L131 PolarHBondContact O-N 3.22Å |
| 128 | A | 98.2 | Very high | 97.9 | Very high | 10 Ų | 10 | 71.1 Ų | 71.1 | 8% | 0.083 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.7 | -41 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | L124 H125 L131 A132 F187 V188 L191 | L124-A128 WeakPolarHBondContact O-CB 3.37Å; L124-A128 PolarHBondContact O-N 3.06Å; H125-A128 PolarHBondContact O-N 3.41Å; A128-L131 PolarHBondContact O-N 3.35Å; A128-A132 WeakPolarHBondContact O-CB 3.37Å; A128-A132 PolarHBondContact O-N 3.45Å; A128-F187 HydrophobicContact CB-CD1 4.05Å; A128-F187 HydrophobicContact CB-CE1 3.97Å; A128-V188 HydrophobicContact CB-CG2 3.75Å; A128-L191 HydrophobicContact CB-CD1 4.34Å |
| 129 | E | 98.4 | Very high | 97.9 | Very high | 85 Ų | 85 | 69.5 Ų | 69.5 | 40% | 0.397 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.6 | -46.4 | 174.8 | -177.3 | -179.9 | -161.5 | 0 | 0 | 111.4 | H125 L131 A132 N133 V188 | H125-E129 IonicContact CE1-OE2 3.39Å; H125-E129 WeakPolarHBondContact O-CB 3.48Å; H125-E129 PolarHBondContact O-N 3.49Å; E129-L131 VanDerWaalsContact C-N 3.33Å; E129-L131 PolarHBondContact O-N 3.07Å; E129-A132 PolarHBondContact O-N 3.34Å; E129-N133 WeakPolarHBondContact O-CB 3.24Å; E129-N133 PolarHBondContact O-N 3.4Å; E129-N133 PolarHBondContact O-ND2 3.42Å; E129-V188 HydrophobicContact CB-CG1 4.27Å |
| 130 | K | 98.5 | Very high | 98 | Very high | 125 Ų | 125 | 69.7 Ų | 69.7 | 54% | 0.543 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 174.2 | -77 | 172.3 | 174.9 | 163.2 | 0 | 112.3 | N126 L127 N133 S134 | N126-K130 WeakPolarHBondContact O-CB 3.5Å; N126-K130 WeakPolarHBondContact O-CG 3.14Å; N126-K130 PolarHBondContact O-N 3.05Å; N126-K130 WeakPolarHBondContact OD1-CD 3.47Å; N126-K130 WeakPolarHBondContact OD1-CE 3.43Å; N126-K130 PolarHBondContact OD1-NZ 3.26Å; L127-K130 PolarHBondContact O-N 3.15Å; K130-N133 PolarHBondContact O-N 3.03Å; K130-S134 WeakPolarHBondContact O-CB 3.42Å; K130-S134 PolarHBondContact O-N 3.23Å |
| 131 | L | 97.8 | Very high | 98 | Very high | 100 Ų | 100 | 70.4 Ų | 70.4 | 52% | 0.524 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.3 | -48.7 | 176.8 | 177.7 | 62.2 | 0 | 0 | 0 | 111 | L127 A128 E129 N133 S134 F135 L184 | L127-L131 WeakPolarHBondContact O-CB 3.46Å; L127-L131 PolarHBondContact O-N 3.22Å; A128-L131 PolarHBondContact O-N 3.35Å; E129-L131 VanDerWaalsContact C-N 3.33Å; E129-L131 PolarHBondContact O-N 3.07Å; L131-N133 VanDerWaalsContact C-N 3.32Å; L131-N133 PolarHBondContact O-N 3.14Å; L131-S134 PolarHBondContact O-N 2.87Å; L131-F135 VanDerWaalsContact O-CB 3.3Å; L131-F135 WeakPolarHBondContact O-CB 3.43Å; L131-F135 PolarHBondContact O-N 3.04Å; L131-L184 HydrophobicContact CD2-CD2 4.08Å |
| 132 | A | 98.2 | Very high | 97.9 | Very high | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.008 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A128 E129 F135 R136 L181 L184 V188 | A128-A132 WeakPolarHBondContact O-CB 3.37Å; A128-A132 PolarHBondContact O-N 3.45Å; E129-A132 PolarHBondContact O-N 3.34Å; A132-F135 PolarHBondContact O-N 2.86Å; A132-R136 WeakPolarHBondContact O-CB 3.28Å; A132-R136 PolarHBondContact O-N 3.47Å; A132-L181 HydrophobicContact CB-CD1 4.46Å; A132-L181 VanDerWaalsContact O-CD1 3.32Å; A132-L181 WeakPolarHBondContact O-CD1 3.4Å; A132-L184 HydrophobicContact CB-CB 4.23Å; A132-V188 HydrophobicContact CB-CG2 4.45Å |
| 133 | N | 98.2 | Very high | 97.9 | Very high | 71 Ų | 71 | 70.1 Ų | 70.1 | 38% | 0.38 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.6 | -49 | 176.5 | -70 | -20.1 | 0 | 0 | 0 | 112.1 | E129 K130 L131 F135 R136 E137 | E129-N133 WeakPolarHBondContact O-CB 3.24Å; E129-N133 PolarHBondContact O-N 3.4Å; E129-N133 PolarHBondContact O-ND2 3.42Å; K130-N133 PolarHBondContact O-N 3.03Å; L131-N133 VanDerWaalsContact C-N 3.32Å; L131-N133 PolarHBondContact O-N 3.14Å; N133-F135 VanDerWaalsContact C-N 3.26Å; N133-F135 PolarHBondContact O-N 3.34Å; N133-R136 WeakPolarHBondContact O-CB 3.47Å; N133-R136 PolarHBondContact O-N 2.89Å; N133-R136 PolarHBondContact OD1-NH1 2.99Å; N133-E137 PolarHBondContact O-N 3.44Å |
| 134 | S | 98 | Very high | 97.9 | Very high | 74 Ų | 74 | 68.4 Ų | 68.4 | 52% | 0.517 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.8 | -40.4 | 175.8 | -174.8 | 0 | 0 | 0 | 0 | 111.8 | K130 L131 E137 T138 | K130-S134 WeakPolarHBondContact O-CB 3.42Å; K130-S134 PolarHBondContact O-N 3.23Å; L131-S134 PolarHBondContact O-N 2.87Å; S134-E137 PolarHBondContact O-N 3.16Å; S134-T138 PolarHBondContact O-N 3.3Å; S134-T138 PolarHBondContact O-OG1 3.36Å; S134-T138 VanDerWaalsContact O-OG1 3.09Å |
| 135 | F | 97.4 | Very high | 97.9 | Very high | 29 Ų | 29 | 69.9 Ų | 69.9 | 13% | 0.127 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -70 | -36 | -179.4 | -166.7 | -118.3 | 0 | 0 | 0 | 112.3 | L131 A132 N133 E137 T138 I139 G177 L180 L181 L184 F313 | L131-F135 VanDerWaalsContact O-CB 3.3Å; L131-F135 WeakPolarHBondContact O-CB 3.43Å; L131-F135 PolarHBondContact O-N 3.04Å; A132-F135 PolarHBondContact O-N 2.86Å; N133-F135 VanDerWaalsContact C-N 3.26Å; N133-F135 PolarHBondContact O-N 3.34Å; F135-E137 VanDerWaalsContact C-N 3.34Å; F135-T138 WeakPolarHBondContact O-CB 3.45Å; F135-T138 PolarHBondContact O-N 2.84Å; F135-I139 HydrophobicContact CD1-CD1 3.98Å; F135-I139 HydrophobicContact CE1-CD1 3.79Å; F135-I139 HydrophobicContact CZ-CD1 4.34Å; F135-I139 WeakPolarHBondContact O-CG1 3.28Å; F135-I139 PolarHBondContact O-N 3.01Å; F135-G177 VanDerWaalsContact CE1-O 3.31Å; F135-G177 WeakPolarHBondContact CE1-O 3.25Å; F135-L180 HydrophobicContact CE1-CB 3.99Å; F135-L180 HydrophobicContact CE1-CD2 3.91Å; F135-L180 HydrophobicContact CE1-CG 3.97Å; F135-L180 HydrophobicContact CE2-CD2 4.49Å; F135-L180 HydrophobicContact CZ-CB 4.4Å; F135-L180 HydrophobicContact CZ-CD2 3.76Å; F135-L180 HydrophobicContact CZ-CG 4.32Å; F135-L181 HydrophobicContact CD1-CB 3.93Å; F135-L181 HydrophobicContact CD1-CD1 4.17Å; F135-L181 HydrophobicContact CE1-CB 4.17Å; F135-L184 HydrophobicContact CB-CD1 4.47Å; F135-L184 HydrophobicContact CD1-CD1 4.01Å; F135-L184 HydrophobicContact CG-CD1 4.4Å; F135-F313 HydrophobicContact CE2-CE1 4.38Å; F135-F313 HydrophobicContact CE2-CZ 4.3Å; F135-F313 HydrophobicContact CZ-CE1 4.18Å; F135-F313 HydrophobicContact CZ-CE2 4.28Å; F135-F313 AromaticContact CZ-CZ 3.88Å; F135-F313 HydrophobicContact CZ-CZ 3.88Å |
| 136 | R | 98.3 | Very high | 97.8 | Very high | 87 Ų | 87 | 68.8 Ų | 68.8 | 33% | 0.328 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.6 | -45.2 | 170.5 | -174.9 | -178.4 | -60.3 | 97.2 | 1.6 | 111.5 | A132 N133 I139 H140 L181 N185 | A132-R136 WeakPolarHBondContact O-CB 3.28Å; A132-R136 PolarHBondContact O-N 3.47Å; N133-R136 WeakPolarHBondContact O-CB 3.47Å; N133-R136 PolarHBondContact O-N 2.89Å; N133-R136 PolarHBondContact OD1-NH1 2.99Å; R136-I139 PolarHBondContact O-N 3.3Å; R136-H140 PolarHBondContact O-N 2.89Å; R136-L181 HydrophobicContact CB-CD1 4.14Å; R136-L181 HydrophobicContact CB-CD2 3.89Å; R136-L181 HydrophobicContact CG-CD2 4.02Å; R136-N185 PolarHBondContact NH2-ND2 3.18Å; R136-N185 PolarHBondContact NH2-OD1 3.43Å |
| 137 | E | 98.2 | Very high | 97.7 | Very high | 99 Ų | 99 | 69.3 Ų | 69.3 | 46% | 0.463 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62 | -44 | 174.5 | -66 | -50.3 | 126.5 | 0 | 0 | 111 | N133 S134 F135 I139 H140 H141 | N133-E137 PolarHBondContact O-N 3.44Å; S134-E137 PolarHBondContact O-N 3.16Å; F135-E137 VanDerWaalsContact C-N 3.34Å; E137-I139 VanDerWaalsContact C-N 3.32Å; E137-I139 PolarHBondContact O-N 3.24Å; E137-H140 WeakPolarHBondContact O-CB 3.38Å; E137-H140 PolarHBondContact O-N 3.22Å; E137-H140 VanDerWaalsContact O-N 3.08Å; E137-H141 PolarHBondContact O-N 3.47Å; E137-H141 PolarHBondContact O-ND1 3.43Å |
| 138 | T | 97.2 | Very high | 97.7 | Very high | 65 Ų | 65 | 70.1 Ų | 70.1 | 40% | 0.399 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -54.7 | -47.2 | 174.7 | -59.6 | 0 | 0 | 0 | 0 | 111.8 | S134 F135 H140 H141 Q142 | S134-T138 PolarHBondContact O-N 3.3Å; S134-T138 PolarHBondContact O-OG1 3.36Å; S134-T138 VanDerWaalsContact O-OG1 3.09Å; F135-T138 WeakPolarHBondContact O-CB 3.45Å; F135-T138 PolarHBondContact O-N 2.84Å; T138-H140 VanDerWaalsContact C-N 3.32Å; T138-H140 PolarHBondContact O-N 2.89Å; T138-H141 PolarHBondContact O-N 3.48Å; T138-Q142 WeakPolarHBondContact O-CG 3.38Å; T138-Q142 PolarHBondContact O-N 2.87Å |
| 139 | I | 97.2 | Very high | 97.6 | Very high | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.01 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.8 | -39.7 | 177.4 | -68.8 | 167 | 0 | 0 | 0 | 111.2 | F135 R136 E137 Q142 R143 I174 G177 E178 L181 | F135-I139 HydrophobicContact CD1-CD1 3.98Å; F135-I139 HydrophobicContact CE1-CD1 3.79Å; F135-I139 HydrophobicContact CZ-CD1 4.34Å; F135-I139 WeakPolarHBondContact O-CG1 3.28Å; F135-I139 PolarHBondContact O-N 3.01Å; R136-I139 PolarHBondContact O-N 3.3Å; E137-I139 VanDerWaalsContact C-N 3.32Å; E137-I139 PolarHBondContact O-N 3.24Å; I139-Q142 PolarHBondContact O-N 3.06Å; I139-R143 WeakPolarHBondContact O-CG 3.4Å; I139-R143 PolarHBondContact O-N 3.49Å; I139-I174 HydrophobicContact CG2-CG2 4.18Å; I139-G177 WeakPolarHBondContact CD1-O 3.49Å; I139-E178 HydrophobicContact CG2-CG 4.43Å; I139-L181 HydrophobicContact CD1-CB 4Å; I139-L181 HydrophobicContact CD1-CD2 4.04Å |
| 140 | H | 97.7 | Very high | 97.5 | Very high | 106 Ų | 106 | 69.2 Ų | 69.2 | 49% | 0.491 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.8 | -47.8 | 175 | -178.8 | 87.6 | 0 | 0 | 0 | 111.5 | R136 E137 T138 Q142 R143 A144 | R136-H140 PolarHBondContact O-N 2.89Å; E137-H140 WeakPolarHBondContact O-CB 3.38Å; E137-H140 PolarHBondContact O-N 3.22Å; E137-H140 VanDerWaalsContact O-N 3.08Å; T138-H140 VanDerWaalsContact C-N 3.32Å; T138-H140 PolarHBondContact O-N 2.89Å; H140-Q142 VanDerWaalsContact C-N 3.34Å; H140-Q142 PolarHBondContact O-N 2.71Å; H140-R143 PolarHBondContact O-N 2.92Å; H140-A144 PolarHBondContact O-N 3.43Å; H140-A144 VanDerWaalsContact O-N 3.15Å |
| 141 | H | 97.7 | Very high | 97.4 | Very high | 118 Ų | 118 | 66.3 Ų | 66.3 | 55% | 0.546 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.6 | -37.6 | 176.6 | -66.9 | 91.3 | 0 | 0 | 0 | 112.2 | E137 T138 R143 A144 F145 | E137-H141 PolarHBondContact O-N 3.47Å; E137-H141 PolarHBondContact O-ND1 3.43Å; T138-H141 PolarHBondContact O-N 3.48Å; H141-R143 VanDerWaalsContact C-N 3.33Å; H141-R143 PolarHBondContact O-N 2.73Å; H141-A144 PolarHBondContact O-N 2.83Å; H141-F145 VanDerWaalsContact O-CB 3.29Å; H141-F145 WeakPolarHBondContact O-CB 3.46Å; H141-F145 PolarHBondContact O-N 3.4Å |
| 142 | Q | 96.4 | Very high | 97.4 | Very high | 34 Ų | 34 | 63.4 Ų | 63.4 | 16% | 0.159 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.7 | -39.3 | 174.2 | -72.4 | -179.1 | -64.9 | 0 | 0 | 112.3 | T138 I139 H140 F145 T146 I174 | T138-Q142 WeakPolarHBondContact O-CG 3.38Å; T138-Q142 PolarHBondContact O-N 2.87Å; I139-Q142 PolarHBondContact O-N 3.06Å; H140-Q142 VanDerWaalsContact C-N 3.34Å; H140-Q142 PolarHBondContact O-N 2.71Å; Q142-F145 PolarHBondContact O-N 2.87Å; Q142-T146 WeakPolarHBondContact O-CB 3.24Å; Q142-T146 PolarHBondContact O-N 3.22Å; Q142-T146 PolarHBondContact O-OG1 3.19Å; Q142-I174 HydrophobicContact CB-CD1 3.9Å; Q142-I174 HydrophobicContact CB-CG1 3.58Å |
| 143 | R | 97.7 | Very high | 97.3 | Very high | 112 Ų | 112 | 65.1 Ų | 65.1 | 42% | 0.423 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.9 | -44.9 | 175.4 | -68.6 | -171.4 | -165.2 | 113.3 | -6.3 | 111.8 | I139 H140 H141 T146 S147 I174 E178 | I139-R143 WeakPolarHBondContact O-CG 3.4Å; I139-R143 PolarHBondContact O-N 3.49Å; H140-R143 PolarHBondContact O-N 2.92Å; H141-R143 VanDerWaalsContact C-N 3.33Å; H141-R143 PolarHBondContact O-N 2.73Å; R143-T146 PolarHBondContact O-N 2.98Å; R143-S147 WeakPolarHBondContact O-CB 3.39Å; R143-S147 PolarHBondContact O-N 3.36Å; R143-I174 HydrophobicContact CG-CD1 4.02Å; R143-I174 HydrophobicContact CG-CG1 4.48Å; R143-I174 HydrophobicContact CG-CG2 4.03Å; R143-E178 IonicContact CZ-OE1 3.52Å; R143-E178 IonicContact NE-OE1 3.59Å; R143-E178 IonicContact NH2-OE1 2.64Å; R143-E178 PolarHBondContact NH2-OE1 2.9Å |
| 144 | A | 97.9 | Very high | 97.1 | Very high | 60 Ų | 60 | 67.4 Ų | 67.4 | 50% | 0.496 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | H140 H141 T146 S147 H148 | H140-A144 PolarHBondContact O-N 3.43Å; H140-A144 VanDerWaalsContact O-N 3.15Å; H141-A144 PolarHBondContact O-N 2.83Å; A144-T146 PolarHBondContact O-N 3.46Å; A144-S147 PolarHBondContact O-N 3.35Å; A144-H148 PolarHBondContact O-N 2.87Å |
| 145 | F | 97.1 | Very high | 97 | Very high | 97 Ų | 97 | 69.3 Ų | 69.3 | 43% | 0.425 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57.7 | -47.4 | 175.1 | 178.1 | -109 | 0 | 0 | 0 | 112.3 | H141 Q142 H148 M149 Q170 | H141-F145 VanDerWaalsContact O-CB 3.29Å; H141-F145 WeakPolarHBondContact O-CB 3.46Å; H141-F145 PolarHBondContact O-N 3.4Å; Q142-F145 PolarHBondContact O-N 2.87Å; F145-H148 PolarHBondContact O-N 2.85Å; F145-M149 HydrophobicContact CD1-CE 4.43Å; F145-M149 HydrophobicContact CD1-SD 4.12Å; F145-M149 HydrophobicContact CE1-CE 3.45Å; F145-M149 VanDerWaalsContact CE1-CE 3.45Å; F145-M149 HydrophobicContact CE1-SD 3.58Å; F145-M149 VanDerWaalsContact CE1-SD 3.58Å; F145-M149 HydrophobicContact CE2-CE 3.75Å; F145-M149 HydrophobicContact CE2-SD 4.47Å; F145-M149 HydrophobicContact CZ-CE 3.06Å; F145-M149 HydrophobicContact CZ-SD 3.82Å; F145-M149 PolarHBondContact O-N 2.92Å; F145-Q170 HydrophobicContact CD1-CG 4.05Å; F145-Q170 HydrophobicContact CE1-CG 3.94Å |
| 146 | T | 96.8 | Very high | 96.9 | Very high | 9 Ų | 9 | 72.4 Ų | 72.4 | 6% | 0.055 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.1 | -40.3 | 178.6 | -55.8 | 0 | 0 | 0 | 0 | 112.1 | Q142 R143 A144 H148 M149 T150 T167 Q170 R171 I174 | Q142-T146 WeakPolarHBondContact O-CB 3.24Å; Q142-T146 PolarHBondContact O-N 3.22Å; Q142-T146 PolarHBondContact O-OG1 3.19Å; R143-T146 PolarHBondContact O-N 2.98Å; A144-T146 PolarHBondContact O-N 3.46Å; T146-H148 VanDerWaalsContact C-N 3.34Å; T146-M149 PolarHBondContact O-N 3.49Å; T146-T150 PolarHBondContact O-N 3.41Å; T146-T150 PolarHBondContact O-OG1 3.34Å; T146-T167 HydrophobicContact CG2-CG2 3.59Å; T146-Q170 HydrophobicContact CG2-CB 4.38Å; T146-Q170 VanDerWaalsContact OG1-CB 3.24Å; T146-Q170 WeakPolarHBondContact OG1-CB 3.19Å; T146-R171 HydrophobicContact CG2-CG 3.86Å; T146-I174 WeakPolarHBondContact OG1-CD1 3.42Å |
| 147 | S | 97.2 | Very high | 96.7 | Very high | 76 Ų | 76 | 72.5 Ų | 72.5 | 53% | 0.531 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 175.8 | 177.5 | 0 | 0 | 0 | 0 | 111.6 | R143 A144 T150 T151 | R143-S147 WeakPolarHBondContact O-CB 3.39Å; R143-S147 PolarHBondContact O-N 3.36Å; A144-S147 PolarHBondContact O-N 3.35Å; S147-T150 WeakPolarHBondContact O-CB 3.41Å; S147-T150 PolarHBondContact O-N 3.35Å; S147-T151 PolarHBondContact O-N 3.01Å; S147-T151 PolarHBondContact O-OG1 3.45Å |
| 148 | H | 97.3 | Very high | 96.6 | Very high | 112 Ų | 112 | 75.1 Ų | 75.1 | 52% | 0.519 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67.4 | -43.8 | 176.4 | -168.3 | 60.3 | 0 | 0 | 0 | 112.1 | A144 F145 T146 T150 T151 L152 | A144-H148 PolarHBondContact O-N 2.87Å; F145-H148 PolarHBondContact O-N 2.85Å; T146-H148 VanDerWaalsContact C-N 3.34Å; H148-T150 VanDerWaalsContact C-N 3.26Å; H148-T150 PolarHBondContact O-N 2.9Å; H148-T151 WeakPolarHBondContact O-CA 3.09Å; H148-T151 VanDerWaalsContact O-CB 3.27Å; H148-T151 WeakPolarHBondContact O-CB 3.35Å; H148-T151 PolarHBondContact O-N 3.3Å; H148-L152 PolarHBondContact O-N 3.33Å |
| 149 | M | 95.9 | Very high | 96.5 | Very high | 23 Ų | 23 | 75.6 Ų | 75.6 | 11% | 0.113 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -57.5 | -39.6 | 172.8 | -74.7 | -176.3 | 155.3 | 0 | 0 | 112.3 | F145 T146 T151 L152 I153 F163 N166 T167 | F145-M149 HydrophobicContact CD1-CE 4.43Å; F145-M149 HydrophobicContact CD1-SD 4.12Å; F145-M149 HydrophobicContact CE1-CE 3.45Å; F145-M149 VanDerWaalsContact CE1-CE 3.45Å; F145-M149 HydrophobicContact CE1-SD 3.58Å; F145-M149 VanDerWaalsContact CE1-SD 3.58Å; F145-M149 HydrophobicContact CE2-CE 3.75Å; F145-M149 HydrophobicContact CE2-SD 4.47Å; F145-M149 HydrophobicContact CZ-CE 3.06Å; F145-M149 HydrophobicContact CZ-SD 3.82Å; F145-M149 PolarHBondContact O-N 2.92Å; T146-M149 PolarHBondContact O-N 3.49Å; M149-T151 PolarHBondContact O-N 3.5Å; M149-L152 PolarHBondContact O-N 2.98Å; M149-I153 WeakPolarHBondContact O-CG1 3.38Å; M149-I153 PolarHBondContact O-N 2.92Å; M149-I153 VanDerWaalsContact O-N 3.08Å; M149-F163 HydrophobicContact CB-CD1 4.37Å; M149-F163 HydrophobicContact CG-CD1 4.28Å; M149-N166 HydrophobicContact CE-CB 4.41Å; M149-N166 VanDerWaalsContact CE-OD1 3.28Å; M149-N166 WeakPolarHBondContact CE-OD1 3.46Å; M149-N166 HydrophobicContact SD-CB 4.21Å; M149-N166 PolarHBondContact SD-OD1 2.88Å; M149-T167 WeakPolarHBondContact CB-OG1 3.15Å |
| 150 | T | 96.2 | Very high | 96.5 | Very high | 53 Ų | 53 | 77.6 Ų | 77.6 | 33% | 0.325 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.8 | -34.9 | 175.5 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | T146 S147 H148 T167 | T146-T150 PolarHBondContact O-N 3.41Å; T146-T150 PolarHBondContact O-OG1 3.34Å; S147-T150 WeakPolarHBondContact O-CB 3.41Å; S147-T150 PolarHBondContact O-N 3.35Å; H148-T150 VanDerWaalsContact C-N 3.26Å; H148-T150 PolarHBondContact O-N 2.9Å; T150-T167 WeakPolarHBondContact OG1-CG2 3.41Å |
| 151 | T | 97.1 | Very high | 96.3 | Very high | 64 Ų | 64 | 76.3 Ų | 76.3 | 39% | 0.393 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68.2 | -40.6 | 174.2 | -54.1 | 0 | 0 | 0 | 0 | 111.3 | S147 H148 M149 I153 V154 Q155 | S147-T151 PolarHBondContact O-N 3.01Å; S147-T151 PolarHBondContact O-OG1 3.45Å; H148-T151 WeakPolarHBondContact O-CA 3.09Å; H148-T151 VanDerWaalsContact O-CB 3.27Å; H148-T151 WeakPolarHBondContact O-CB 3.35Å; H148-T151 PolarHBondContact O-N 3.3Å; M149-T151 PolarHBondContact O-N 3.5Å; T151-I153 VanDerWaalsContact C-N 3.31Å; T151-I153 PolarHBondContact O-N 2.92Å; T151-V154 PolarHBondContact O-N 2.91Å; T151-Q155 PolarHBondContact O-N 3.32Å |
| 152 | L | 96.8 | Very high | 96.1 | Very high | 39 Ų | 39 | 75.6 Ų | 75.6 | 20% | 0.204 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -66.3 | -28.6 | 179.2 | -66.8 | 176.4 | 0 | 0 | 0 | 113.3 | H148 M149 V154 Q155 Q156 F163 | H148-L152 PolarHBondContact O-N 3.33Å; M149-L152 PolarHBondContact O-N 2.98Å; L152-V154 PolarHBondContact O-N 3.5Å; L152-Q155 PolarHBondContact O-N 3.31Å; L152-Q155 VanDerWaalsContact O-N 3.17Å; L152-Q156 WeakPolarHBondContact O-CB 3.47Å; L152-Q156 PolarHBondContact O-N 2.87Å; L152-F163 HydrophobicContact CB-CD1 4.18Å; L152-F163 HydrophobicContact CB-CD2 4.13Å; L152-F163 HydrophobicContact CB-CE1 3.95Å; L152-F163 HydrophobicContact CB-CE2 3.9Å; L152-F163 HydrophobicContact CB-CG 4.28Å; L152-F163 HydrophobicContact CB-CZ 3.81Å; L152-F163 HydrophobicContact CD1-CD1 4.45Å; L152-F163 HydrophobicContact CD1-CE1 3.61Å; L152-F163 HydrophobicContact CD1-CZ 3.69Å; L152-F163 HydrophobicContact CG-CE1 4.44Å; L152-F163 HydrophobicContact CG-CZ 4.35Å |
| 153 | I | 96.4 | Very high | 96.1 | Very high | 38 Ų | 38 | 75.9 Ų | 75.9 | 20% | 0.195 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -53.5 | -41.4 | 173.3 | -65.8 | 169.6 | 0 | 0 | 0 | 111.1 | M149 T151 F163 | M149-I153 WeakPolarHBondContact O-CG1 3.38Å; M149-I153 PolarHBondContact O-N 2.92Å; M149-I153 VanDerWaalsContact O-N 3.08Å; T151-I153 VanDerWaalsContact C-N 3.31Å; T151-I153 PolarHBondContact O-N 2.92Å; I153-F163 HydrophobicContact CD1-CB 4.37Å; I153-F163 HydrophobicContact CG1-CB 3.44Å; I153-F163 VanDerWaalsContact CG1-CB 3.44Å; I153-F163 HydrophobicContact CG1-CG 4.49Å |
| 154 | V | 95.2 | Very high | 96 | Very high | 119 Ų | 119 | 74 Ų | 74 | 72% | 0.721 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -79.7 | -35.5 | -179.1 | -177.4 | 0 | 0 | 0 | 0 | 111.4 | T151 L152 | T151-V154 PolarHBondContact O-N 2.91Å; L152-V154 PolarHBondContact O-N 3.5Å |
| 155 | Q | 95.9 | Very high | 95.7 | Very high | 114 Ų | 114 | 79.3 Ų | 79.3 | 53% | 0.533 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -80.1 | -21.2 | -176.8 | -66.7 | 179.5 | -17.6 | 0 | 0 | 113.7 | T151 L152 | T151-Q155 PolarHBondContact O-N 3.32Å; L152-Q155 PolarHBondContact O-N 3.31Å; L152-Q155 VanDerWaalsContact O-N 3.17Å |
| 156 | Q | 95.2 | Very high | 95.5 | Very high | 94 Ų | 94 | 77.6 Ų | 77.6 | 44% | 0.439 | 42% | 0.418 | S | S | . | . | trans | -129.4 | 75.1 | -177 | -60.6 | -66 | -67 | 0 | 0 | 110.2 | L152 D158 L159 S160 F163 | L152-Q156 WeakPolarHBondContact O-CB 3.47Å; L152-Q156 PolarHBondContact O-N 2.87Å; Q156-D158 PolarHBondContact O-N 3.46Å; Q156-L159 HydrophobicContact CB-CB 4.36Å; Q156-L159 CarbonylContact O-C 3.59Å; Q156-L159 PolarHBondContact O-N 3.03Å; Q156-S160 PolarHBondContact O-N 3.07Å; Q156-F163 HydrophobicContact CB-CE2 4.07Å; Q156-F163 HydrophobicContact CG-CE2 4.37Å | ||
| 157 | P | 93.9 | Very high | 95.3 | Very high | 89 Ų | 89 | 77.2 Ų | 77.2 | 58% | 0.578 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -55.8 | -35.9 | -176.6 | -25.7 | 35.2 | 0 | 0 | 0 | 113.6 | L159 S160 | P157-L159 PolarHBondContact O-N 2.74Å; P157-S160 VanDerWaalsContact O-CB 3.27Å; P157-S160 WeakPolarHBondContact O-CB 3.23Å; P157-S160 PolarHBondContact O-N 3.2Å; P157-S160 PolarHBondContact O-OG 2.75Å |
| 158 | D | 96.5 | Very high | 95.1 | Very high | 153 Ų | 153 | 77.8 Ų | 77.8 | 82% | 0.818 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -64.9 | -22.6 | -180 | -60.2 | -27.7 | 0 | 0 | 0 | 113.6 | Q156 | Q156-D158 PolarHBondContact O-N 3.46Š|
| 159 | L | 95.5 | Very high | 94.8 | Very high | 75 Ų | 75 | 75.1 Ų | 75.1 | 39% | 0.393 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -114 | 11 | 179.5 | -63.5 | 174.1 | 0 | 0 | 0 | 112.3 | Q156 P157 S161 E162 F163 | Q156-L159 HydrophobicContact CB-CB 4.36Å; Q156-L159 CarbonylContact O-C 3.59Å; Q156-L159 PolarHBondContact O-N 3.03Å; P157-L159 PolarHBondContact O-N 2.74Å; L159-S161 PolarHBondContact O-N 3.4Å; L159-E162 VanDerWaalsContact C-OE2 3.27Å; L159-E162 WeakPolarHBondContact CA-OE2 3.34Å; L159-E162 PolarHBondContact O-N 3.32Å; L159-F163 HydrophobicContact CB-CD2 3.82Å; L159-F163 HydrophobicContact CB-CE2 3.75Å; L159-F163 HydrophobicContact CD1-CE2 4.16Å; L159-F163 VanDerWaalsContact O-CD2 3.27Å; L159-F163 WeakPolarHBondContact O-CD2 3.29Å; L159-F163 PolarHBondContact O-N 3.47Å |
| 160 | S | 95.1 | Very high | 94.8 | Very high | 45 Ų | 45 | 76 Ų | 76 | 32% | 0.315 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.9 | -34.3 | -171.6 | 57.8 | 0 | 0 | 0 | 0 | 112.5 | Q156 P157 T164 | Q156-S160 PolarHBondContact O-N 3.07Å; P157-S160 VanDerWaalsContact O-CB 3.27Å; P157-S160 WeakPolarHBondContact O-CB 3.23Å; P157-S160 PolarHBondContact O-N 3.2Å; P157-S160 PolarHBondContact O-OG 2.75Å; S160-T164 VanDerWaalsContact O-CB 3.26Å; S160-T164 WeakPolarHBondContact O-CB 3.4Å; S160-T164 PolarHBondContact O-N 2.95Å; S160-T164 PolarHBondContact O-OG1 3.36Å |
| 161 | S | 94.3 | Very high | 94.6 | Very high | 79 Ų | 79 | 79 Ų | 79 | 55% | 0.552 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -69.6 | -41.6 | -178.8 | 78.8 | 0 | 0 | 0 | 0 | 112.4 | L159 T164 Y165 | L159-S161 PolarHBondContact O-N 3.4Å; S161-T164 PolarHBondContact O-N 3Å; S161-Y165 PolarHBondContact O-N 3.36Å |
| 162 | E | 94.2 | Very high | 94.3 | Very high | 103 Ų | 103 | 80.2 Ų | 80.2 | 48% | 0.481 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -69.6 | -46.7 | -179.5 | -65.7 | 85.7 | 160.1 | 0 | 0 | 110.4 | L159 T164 Y165 N166 | L159-E162 VanDerWaalsContact C-OE2 3.27Å; L159-E162 WeakPolarHBondContact CA-OE2 3.34Å; L159-E162 PolarHBondContact O-N 3.32Å; E162-T164 VanDerWaalsContact C-N 3.29Å; E162-T164 PolarHBondContact O-N 3Å; E162-Y165 PolarHBondContact O-N 3.09Å; E162-N166 WeakPolarHBondContact O-CB 3.36Å; E162-N166 PolarHBondContact O-N 3.46Å |
| 163 | F | 96.9 | Very high | 94.1 | Very high | 40 Ų | 40 | 80.3 Ų | 80.3 | 18% | 0.175 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.6 | -38.7 | 173.2 | -78.5 | -60.9 | 0 | 0 | 0 | 111.6 | M149 L152 I153 Q156 L159 N166 T167 | M149-F163 HydrophobicContact CB-CD1 4.37Å; M149-F163 HydrophobicContact CG-CD1 4.28Å; L152-F163 HydrophobicContact CB-CD1 4.18Å; L152-F163 HydrophobicContact CB-CD2 4.13Å; L152-F163 HydrophobicContact CB-CE1 3.95Å; L152-F163 HydrophobicContact CB-CE2 3.9Å; L152-F163 HydrophobicContact CB-CG 4.28Å; L152-F163 HydrophobicContact CB-CZ 3.81Å; L152-F163 HydrophobicContact CD1-CD1 4.45Å; L152-F163 HydrophobicContact CD1-CE1 3.61Å; L152-F163 HydrophobicContact CD1-CZ 3.69Å; L152-F163 HydrophobicContact CG-CE1 4.44Å; L152-F163 HydrophobicContact CG-CZ 4.35Å; I153-F163 HydrophobicContact CD1-CB 4.37Å; I153-F163 HydrophobicContact CG1-CB 3.44Å; I153-F163 VanDerWaalsContact CG1-CB 3.44Å; I153-F163 HydrophobicContact CG1-CG 4.49Å; Q156-F163 HydrophobicContact CB-CE2 4.07Å; Q156-F163 HydrophobicContact CG-CE2 4.37Å; L159-F163 HydrophobicContact CB-CD2 3.82Å; L159-F163 HydrophobicContact CB-CE2 3.75Å; L159-F163 HydrophobicContact CD1-CE2 4.16Å; L159-F163 VanDerWaalsContact O-CD2 3.27Å; L159-F163 WeakPolarHBondContact O-CD2 3.29Å; L159-F163 PolarHBondContact O-N 3.47Å; F163-N166 PolarHBondContact O-N 3.31Å; F163-T167 WeakPolarHBondContact O-CB 3.45Å; F163-T167 PolarHBondContact O-N 3.32Å; F163-T167 PolarHBondContact O-OG1 3.16Å |
| 164 | T | 94.4 | Very high | 94 | Very high | 71 Ų | 71 | 79.1 Ų | 79.1 | 44% | 0.436 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.3 | -49.6 | 177.5 | -62.1 | 0 | 0 | 0 | 0 | 111.3 | S160 S161 E162 N166 T167 E168 | S160-T164 VanDerWaalsContact O-CB 3.26Å; S160-T164 WeakPolarHBondContact O-CB 3.4Å; S160-T164 PolarHBondContact O-N 2.95Å; S160-T164 PolarHBondContact O-OG1 3.36Å; S161-T164 PolarHBondContact O-N 3Å; E162-T164 VanDerWaalsContact C-N 3.29Å; E162-T164 PolarHBondContact O-N 3Å; T164-N166 VanDerWaalsContact C-N 3.34Å; T164-N166 PolarHBondContact O-N 2.86Å; T164-T167 PolarHBondContact O-N 3.3Å; T164-E168 PolarHBondContact O-N 3.48Å |
| 165 | Y | 91.4 | Very high | 93.9 | Very high | 172 Ų | 172 | 76 Ų | 76 | 68% | 0.675 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -60.4 | -42.3 | 178.7 | -179.8 | -100.2 | 0 | 0 | 0 | 112.2 | S161 E162 T169 | S161-Y165 PolarHBondContact O-N 3.36Å; E162-Y165 PolarHBondContact O-N 3.09Å; Y165-T169 PolarHBondContact O-N 2.95Å; Y165-T169 VanDerWaalsContact O-N 3.08Å; Y165-T169 PolarHBondContact O-OG1 2.99Å |
| 166 | N | 92.9 | Very high | 93.7 | Very high | 61 Ų | 61 | 73.7 Ų | 73.7 | 33% | 0.326 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.5 | -43.9 | 178.9 | -158.8 | -82.5 | 0 | 0 | 0 | 112.1 | M149 E162 F163 T164 E168 T169 Q170 | M149-N166 HydrophobicContact CE-CB 4.41Å; M149-N166 VanDerWaalsContact CE-OD1 3.28Å; M149-N166 WeakPolarHBondContact CE-OD1 3.46Å; M149-N166 HydrophobicContact SD-CB 4.21Å; M149-N166 PolarHBondContact SD-OD1 2.88Å; E162-N166 WeakPolarHBondContact O-CB 3.36Å; E162-N166 PolarHBondContact O-N 3.46Å; F163-N166 PolarHBondContact O-N 3.31Å; T164-N166 VanDerWaalsContact C-N 3.34Å; T164-N166 PolarHBondContact O-N 2.86Å; N166-E168 VanDerWaalsContact C-N 3.3Å; N166-E168 PolarHBondContact O-N 3.06Å; N166-T169 WeakPolarHBondContact O-CB 3.49Å; N166-T169 PolarHBondContact O-N 3.44Å; N166-Q170 WeakPolarHBondContact O-CG 3.45Å; N166-Q170 PolarHBondContact O-N 3.31Å |
| 167 | T | 94.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.006 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -57.2 | -45.7 | 176.8 | -61.7 | 0 | 0 | 0 | 0 | 110.6 | T146 M149 T150 F163 T164 Q170 R171 | T146-T167 HydrophobicContact CG2-CG2 3.59Å; M149-T167 WeakPolarHBondContact CB-OG1 3.15Å; T150-T167 WeakPolarHBondContact OG1-CG2 3.41Å; F163-T167 WeakPolarHBondContact O-CB 3.45Å; F163-T167 PolarHBondContact O-N 3.32Å; F163-T167 PolarHBondContact O-OG1 3.16Å; T164-T167 PolarHBondContact O-N 3.3Å; T167-Q170 PolarHBondContact O-N 2.94Å; T167-R171 WeakPolarHBondContact O-CG 3.27Å; T167-R171 PolarHBondContact O-N 3.34Å |
| 168 | E | 91.7 | Very high | 93.8 | Very high | 88 Ų | 88 | 69 Ų | 69 | 41% | 0.411 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.6 | -40.7 | 179.4 | -169.7 | 55 | -153.2 | 0 | 0 | 112.1 | T164 N166 Q170 R171 I172 | T164-E168 PolarHBondContact O-N 3.48Å; N166-E168 VanDerWaalsContact C-N 3.3Å; N166-E168 PolarHBondContact O-N 3.06Å; E168-Q170 PolarHBondContact O-N 3.3Å; E168-R171 PolarHBondContact O-N 3.11Å; E168-R171 IonicContact OE2-CZ 3.9Å; E168-R171 IonicContact OE2-NH1 2.9Å; E168-R171 PolarHBondContact OE2-NH1 3.25Å; E168-I172 WeakPolarHBondContact O-CG1 3.39Å; E168-I172 PolarHBondContact O-N 3.44Å; E168-I172 VanDerWaalsContact O-N 3.1Å |
| 169 | T | 92 | Very high | 93.8 | Very high | 57 Ų | 57 | 67.7 Ų | 67.7 | 35% | 0.35 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.6 | -46.5 | 173.3 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | Y165 N166 R171 I172 V173 | Y165-T169 PolarHBondContact O-N 2.95Å; Y165-T169 VanDerWaalsContact O-N 3.08Å; Y165-T169 PolarHBondContact O-OG1 2.99Å; N166-T169 WeakPolarHBondContact O-CB 3.49Å; N166-T169 PolarHBondContact O-N 3.44Å; T169-R171 VanDerWaalsContact C-N 3.35Å; T169-R171 PolarHBondContact O-N 3.02Å; T169-I172 PolarHBondContact O-N 3.29Å; T169-V173 WeakPolarHBondContact O-CG2 3.47Å; T169-V173 PolarHBondContact O-N 2.79Å |
| 170 | Q | 94.1 | Very high | 93.8 | Very high | 41 Ų | 41 | 64.7 Ų | 64.7 | 19% | 0.192 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.8 | -37.2 | 177.9 | -70.2 | -67.8 | -7.1 | 0 | 0 | 112.6 | F145 T146 N166 T167 E168 I172 V173 I174 | F145-Q170 HydrophobicContact CD1-CG 4.05Å; F145-Q170 HydrophobicContact CE1-CG 3.94Å; T146-Q170 HydrophobicContact CG2-CB 4.38Å; T146-Q170 VanDerWaalsContact OG1-CB 3.24Å; T146-Q170 WeakPolarHBondContact OG1-CB 3.19Å; N166-Q170 WeakPolarHBondContact O-CG 3.45Å; N166-Q170 PolarHBondContact O-N 3.31Å; T167-Q170 PolarHBondContact O-N 2.94Å; E168-Q170 PolarHBondContact O-N 3.3Å; Q170-I172 VanDerWaalsContact C-N 3.33Å; Q170-I172 PolarHBondContact O-N 3.37Å; Q170-V173 PolarHBondContact O-N 3.31Å; Q170-I174 WeakPolarHBondContact O-CB 3.28Å; Q170-I174 WeakPolarHBondContact O-CD1 3.15Å; Q170-I174 VanDerWaalsContact O-CG1 3.22Å; Q170-I174 WeakPolarHBondContact O-CG1 3.42Å; Q170-I174 PolarHBondContact O-N 3.32Å |
| 171 | R | 93.4 | Very high | 93.9 | Very high | 117 Ų | 117 | 63.4 Ų | 63.4 | 44% | 0.442 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 174.1 | -72.1 | 178.7 | -168.6 | 147.6 | -0.6 | 112.1 | T146 T167 E168 T169 I174 S175 | T146-R171 HydrophobicContact CG2-CG 3.86Å; T167-R171 WeakPolarHBondContact O-CG 3.27Å; T167-R171 PolarHBondContact O-N 3.34Å; E168-R171 PolarHBondContact O-N 3.11Å; E168-R171 IonicContact OE2-CZ 3.9Å; E168-R171 IonicContact OE2-NH1 2.9Å; E168-R171 PolarHBondContact OE2-NH1 3.25Å; T169-R171 VanDerWaalsContact C-N 3.35Å; T169-R171 PolarHBondContact O-N 3.02Å; R171-I174 PolarHBondContact O-N 3.4Å; R171-S175 WeakPolarHBondContact O-CB 3.44Å; R171-S175 PolarHBondContact O-N 2.92Å |
| 172 | I | 91.1 | Very high | 94.1 | Very high | 89 Ų | 89 | 62.6 Ų | 62.6 | 46% | 0.456 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 175.3 | -64.4 | 166.8 | 0 | 0 | 0 | 110.4 | E168 T169 Q170 S175 N176 | E168-I172 WeakPolarHBondContact O-CG1 3.39Å; E168-I172 PolarHBondContact O-N 3.44Å; E168-I172 VanDerWaalsContact O-N 3.1Å; T169-I172 PolarHBondContact O-N 3.29Å; Q170-I172 VanDerWaalsContact C-N 3.33Å; Q170-I172 PolarHBondContact O-N 3.37Å; I172-S175 PolarHBondContact O-N 3.38Å; I172-N176 PolarHBondContact O-N 3.03Å |
| 173 | V | 92.1 | Very high | 94.2 | Very high | 40 Ų | 40 | 60 Ų | 60 | 24% | 0.242 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 177.8 | 178.2 | 0 | 0 | 0 | 0 | 111.4 | T169 Q170 N176 G177 | T169-V173 WeakPolarHBondContact O-CG2 3.47Å; T169-V173 PolarHBondContact O-N 2.79Å; Q170-V173 PolarHBondContact O-N 3.31Å; V173-N176 PolarHBondContact O-N 3.31Å; V173-G177 PolarHBondContact O-N 2.86Å |
| 174 | I | 94.6 | Very high | 94.2 | Very high | 14 Ų | 14 | 58.6 Ų | 58.6 | 7% | 0.072 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.4 | -49.2 | 175.6 | -70.8 | 159.1 | 0 | 0 | 0 | 110.2 | I139 Q142 R143 T146 Q170 R171 N176 G177 E178 | I139-I174 HydrophobicContact CG2-CG2 4.18Å; Q142-I174 HydrophobicContact CB-CD1 3.9Å; Q142-I174 HydrophobicContact CB-CG1 3.58Å; R143-I174 HydrophobicContact CG-CD1 4.02Å; R143-I174 HydrophobicContact CG-CG1 4.48Å; R143-I174 HydrophobicContact CG-CG2 4.03Å; T146-I174 WeakPolarHBondContact OG1-CD1 3.42Å; Q170-I174 WeakPolarHBondContact O-CB 3.28Å; Q170-I174 WeakPolarHBondContact O-CD1 3.15Å; Q170-I174 VanDerWaalsContact O-CG1 3.22Å; Q170-I174 WeakPolarHBondContact O-CG1 3.42Å; Q170-I174 PolarHBondContact O-N 3.32Å; R171-I174 PolarHBondContact O-N 3.4Å; I174-N176 VanDerWaalsContact C-N 3.34Å; I174-N176 PolarHBondContact O-N 3.46Å; I174-G177 PolarHBondContact O-N 2.85Å; I174-G177 VanDerWaalsContact O-N 3.14Å; I174-E178 WeakPolarHBondContact O-CG 3.26Å; I174-E178 PolarHBondContact O-N 3.43Å |
| 175 | S | 93.1 | Very high | 94.4 | Very high | 52 Ų | 52 | 57.3 Ų | 57.3 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.1 | -42.1 | 179.9 | -176.4 | 0 | 0 | 0 | 0 | 112.5 | R171 I172 | R171-S175 WeakPolarHBondContact O-CB 3.44Å; R171-S175 PolarHBondContact O-N 2.92Å; I172-S175 PolarHBondContact O-N 3.38Å |
| 176 | N | 92.2 | Very high | 94.7 | Very high | 67 Ų | 67 | 53.9 Ų | 53.9 | 36% | 0.358 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -72.1 | -34.5 | 175.8 | -71.3 | -20.8 | 0 | 0 | 0 | 112.2 | I172 V173 I174 E178 K179 L180 F313 | I172-N176 PolarHBondContact O-N 3.03Å; V173-N176 PolarHBondContact O-N 3.31Å; I174-N176 VanDerWaalsContact C-N 3.34Å; I174-N176 PolarHBondContact O-N 3.46Å; N176-E178 VanDerWaalsContact C-N 3.35Å; N176-K179 WeakPolarHBondContact O-CB 3.46Å; N176-K179 PolarHBondContact O-N 2.95Å; N176-K179 PolarHBondContact OD1-NZ 3.4Å; N176-K179 VanDerWaalsContact OD1-NZ 3.11Å; N176-L180 PolarHBondContact O-N 3.24Å; N176-L180 VanDerWaalsContact O-N 3.1Å; N176-F313 HydrophobicContact CB-CD2 4.15Å; N176-F313 HydrophobicContact CB-CE2 4.25Å |
| 177 | G | 95.2 | Very high | 95 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F135 I139 V173 I174 K179 L180 L181 | F135-G177 VanDerWaalsContact CE1-O 3.31Å; F135-G177 WeakPolarHBondContact CE1-O 3.25Å; I139-G177 WeakPolarHBondContact CD1-O 3.49Å; V173-G177 PolarHBondContact O-N 2.86Å; I174-G177 PolarHBondContact O-N 2.85Å; I174-G177 VanDerWaalsContact O-N 3.14Å; G177-K179 VanDerWaalsContact C-N 3.29Å; G177-K179 PolarHBondContact O-N 3.45Å; G177-L180 PolarHBondContact O-N 2.87Å; G177-L181 WeakPolarHBondContact O-CB 3.42Å; G177-L181 PolarHBondContact O-N 2.9Å |
| 178 | E | 95.8 | Very high | 95.2 | Very high | 84 Ų | 84 | 51.9 Ų | 51.9 | 39% | 0.393 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.3 | -39.5 | 174.8 | -73.2 | 173 | 171.7 | 0 | 0 | 112.2 | I139 R143 I174 N176 L181 A182 | I139-E178 HydrophobicContact CG2-CG 4.43Å; R143-E178 IonicContact CZ-OE1 3.52Å; R143-E178 IonicContact NE-OE1 3.59Å; R143-E178 IonicContact NH2-OE1 2.64Å; R143-E178 PolarHBondContact NH2-OE1 2.9Å; I174-E178 WeakPolarHBondContact O-CG 3.26Å; I174-E178 PolarHBondContact O-N 3.43Å; N176-E178 VanDerWaalsContact C-N 3.35Å; E178-L181 PolarHBondContact O-N 2.91Å; E178-A182 PolarHBondContact O-N 2.89Å |
| 179 | K | 95 | Very high | 95.5 | Very high | 126 Ų | 126 | 52.2 Ų | 52.2 | 55% | 0.548 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.1 | -46.4 | 175.6 | -61.1 | 168.4 | -167.1 | 160.7 | 0 | 111.4 | N176 G177 L181 A182 S183 | N176-K179 WeakPolarHBondContact O-CB 3.46Å; N176-K179 PolarHBondContact O-N 2.95Å; N176-K179 PolarHBondContact OD1-NZ 3.4Å; N176-K179 VanDerWaalsContact OD1-NZ 3.11Å; G177-K179 VanDerWaalsContact C-N 3.29Å; G177-K179 PolarHBondContact O-N 3.45Å; K179-L181 VanDerWaalsContact C-N 3.34Å; K179-L181 PolarHBondContact O-N 3.43Å; K179-A182 WeakPolarHBondContact O-CB 3.47Å; K179-A182 PolarHBondContact O-N 3.11Å; K179-S183 PolarHBondContact O-N 3.5Å; K179-S183 VanDerWaalsContact O-N 3.08Å; K179-S183 PolarHBondContact O-OG 3.4Å |
| 180 | L | 96.4 | Very high | 95.7 | Very high | 11 Ų | 11 | 50.8 Ų | 50.8 | 6% | 0.058 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.6 | -40.4 | 176.3 | 177.5 | 61.5 | 0 | 0 | 0 | 111.5 | F135 N176 G177 A182 S183 L184 A309 F313 | F135-L180 HydrophobicContact CE1-CB 3.99Å; F135-L180 HydrophobicContact CE1-CD2 3.91Å; F135-L180 HydrophobicContact CE1-CG 3.97Å; F135-L180 HydrophobicContact CE2-CD2 4.49Å; F135-L180 HydrophobicContact CZ-CB 4.4Å; F135-L180 HydrophobicContact CZ-CD2 3.76Å; F135-L180 HydrophobicContact CZ-CG 4.32Å; N176-L180 PolarHBondContact O-N 3.24Å; N176-L180 VanDerWaalsContact O-N 3.1Å; G177-L180 PolarHBondContact O-N 2.87Å; L180-A182 VanDerWaalsContact C-N 3.32Å; L180-A182 PolarHBondContact O-N 3.28Å; L180-S183 WeakPolarHBondContact O-CB 3.31Å; L180-S183 PolarHBondContact O-N 2.94Å; L180-L184 HydrophobicContact CG-CD1 4.27Å; L180-L184 WeakPolarHBondContact O-CG 3.39Å; L180-L184 PolarHBondContact O-N 3.43Å; L180-A309 HydrophobicContact CD1-CB 3.97Å; L180-F313 HydrophobicContact CB-CB 4.41Å; L180-F313 HydrophobicContact CB-CD2 4.18Å; L180-F313 HydrophobicContact CB-CG 4.31Å; L180-F313 HydrophobicContact CD2-CB 3.78Å; L180-F313 HydrophobicContact CD2-CD1 3.56Å; L180-F313 HydrophobicContact CD2-CD2 4.09Å; L180-F313 HydrophobicContact CD2-CE1 4.14Å; L180-F313 HydrophobicContact CD2-CG 3.53Å; L180-F313 HydrophobicContact CG-CG 4.49Å |
| 181 | L | 97.6 | Very high | 95.9 | Very high | 19 Ų | 19 | 48.9 Ų | 48.9 | 10% | 0.099 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 176.2 | 179.5 | 62 | 0 | 0 | 0 | 111.1 | A132 F135 R136 I139 G177 E178 K179 S183 L184 N185 | A132-L181 HydrophobicContact CB-CD1 4.46Å; A132-L181 VanDerWaalsContact O-CD1 3.32Å; A132-L181 WeakPolarHBondContact O-CD1 3.4Å; F135-L181 HydrophobicContact CD1-CB 3.93Å; F135-L181 HydrophobicContact CD1-CD1 4.17Å; F135-L181 HydrophobicContact CE1-CB 4.17Å; R136-L181 HydrophobicContact CB-CD1 4.14Å; R136-L181 HydrophobicContact CB-CD2 3.89Å; R136-L181 HydrophobicContact CG-CD2 4.02Å; I139-L181 HydrophobicContact CD1-CB 4Å; I139-L181 HydrophobicContact CD1-CD2 4.04Å; G177-L181 WeakPolarHBondContact O-CB 3.42Å; G177-L181 PolarHBondContact O-N 2.9Å; E178-L181 PolarHBondContact O-N 2.91Å; K179-L181 VanDerWaalsContact C-N 3.34Å; K179-L181 PolarHBondContact O-N 3.43Å; L181-S183 VanDerWaalsContact C-N 3.35Å; L181-L184 PolarHBondContact O-N 2.74Å; L181-N185 PolarHBondContact O-N 2.79Å; L181-N185 PolarHBondContact O-ND2 3.43Å |
| 182 | A | 97.5 | Very high | 96.1 | Very high | 61 Ų | 61 | 46.6 Ų | 46.6 | 50% | 0.504 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E178 K179 L180 N185 H186 | E178-A182 PolarHBondContact O-N 2.89Å; K179-A182 WeakPolarHBondContact O-CB 3.47Å; K179-A182 PolarHBondContact O-N 3.11Å; L180-A182 VanDerWaalsContact C-N 3.32Å; L180-A182 PolarHBondContact O-N 3.28Å; A182-N185 PolarHBondContact O-N 3.27Å; A182-H186 PolarHBondContact O-N 3.35Å |
| 183 | S | 97.1 | Very high | 96.4 | Very high | 50 Ų | 50 | 46 Ų | 46 | 35% | 0.35 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 174.3 | -57.5 | 0 | 0 | 0 | 0 | 112.9 | K179 L180 L181 H186 F187 | K179-S183 PolarHBondContact O-N 3.5Å; K179-S183 VanDerWaalsContact O-N 3.08Å; K179-S183 PolarHBondContact O-OG 3.4Å; L180-S183 WeakPolarHBondContact O-CB 3.31Å; L180-S183 PolarHBondContact O-N 2.94Å; L181-S183 VanDerWaalsContact C-N 3.35Å; S183-H186 PolarHBondContact O-N 3.17Å; S183-F187 PolarHBondContact O-N 3.23Å |
| 184 | L | 97.7 | Very high | 96.6 | Very high | 10 Ų | 10 | 44.4 Ų | 44.4 | 5% | 0.052 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.4 | -45 | 176.3 | -77.5 | 169.1 | 0 | 0 | 0 | 112 | L131 A132 F135 L180 L181 H186 F187 V188 L306 | L131-L184 HydrophobicContact CD2-CD2 4.08Å; A132-L184 HydrophobicContact CB-CB 4.23Å; F135-L184 HydrophobicContact CB-CD1 4.47Å; F135-L184 HydrophobicContact CD1-CD1 4.01Å; F135-L184 HydrophobicContact CG-CD1 4.4Å; L180-L184 HydrophobicContact CG-CD1 4.27Å; L180-L184 WeakPolarHBondContact O-CG 3.39Å; L180-L184 PolarHBondContact O-N 3.43Å; L181-L184 PolarHBondContact O-N 2.74Å; L184-H186 VanDerWaalsContact C-N 3.33Å; L184-H186 PolarHBondContact O-N 3.45Å; L184-F187 WeakPolarHBondContact O-CB 3.28Å; L184-F187 PolarHBondContact O-N 3.3Å; L184-V188 WeakPolarHBondContact O-CG2 3.14Å; L184-V188 PolarHBondContact O-N 2.98Å; L184-L306 HydrophobicContact CD2-CD1 3.62Å |
| 185 | N | 98 | Very high | 96.7 | Very high | 44 Ų | 44 | 44.4 Ų | 44.4 | 24% | 0.235 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.7 | -43 | 176.8 | -69.7 | -44.8 | 0 | 0 | 0 | 111 | R136 L181 A182 F187 V188 D189 | R136-N185 PolarHBondContact NH2-ND2 3.18Å; R136-N185 PolarHBondContact NH2-OD1 3.43Å; L181-N185 PolarHBondContact O-N 2.79Å; L181-N185 PolarHBondContact O-ND2 3.43Å; A182-N185 PolarHBondContact O-N 3.27Å; N185-F187 VanDerWaalsContact C-N 3.29Å; N185-F187 PolarHBondContact O-N 3.25Å; N185-V188 WeakPolarHBondContact O-CB 3.44Å; N185-V188 PolarHBondContact O-N 3.08Å; N185-V188 VanDerWaalsContact O-N 3.14Å; N185-D189 PolarHBondContact O-N 2.92Å |
| 186 | H | 97.7 | Very high | 96.9 | Very high | 99 Ų | 99 | 44.4 Ų | 44.4 | 46% | 0.458 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60 | -39.3 | 175.9 | -176 | 73.5 | 0 | 0 | 0 | 112.8 | A182 S183 L184 T190 Q302 | A182-H186 PolarHBondContact O-N 3.35Å; S183-H186 PolarHBondContact O-N 3.17Å; L184-H186 VanDerWaalsContact C-N 3.33Å; L184-H186 PolarHBondContact O-N 3.45Å; H186-T190 WeakPolarHBondContact O-CB 3.46Å; H186-T190 PolarHBondContact O-N 2.77Å; H186-T190 PolarHBondContact O-OG1 3.42Å; H186-Q302 PolarHBondContact NE2-NE2 3.46Å |
| 187 | F | 98 | Very high | 97.1 | Very high | 8 Ų | 8 | 47.5 Ų | 47.5 | 4% | 0.035 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 174.4 | 178.3 | -103.9 | 0 | 0 | 0 | 111.9 | A128 S183 L184 N185 T190 L191 M299 Q302 L303 L306 | A128-F187 HydrophobicContact CB-CD1 4.05Å; A128-F187 HydrophobicContact CB-CE1 3.97Å; S183-F187 PolarHBondContact O-N 3.23Å; L184-F187 WeakPolarHBondContact O-CB 3.28Å; L184-F187 PolarHBondContact O-N 3.3Å; N185-F187 VanDerWaalsContact C-N 3.29Å; N185-F187 PolarHBondContact O-N 3.25Å; F187-T190 PolarHBondContact O-N 3.04Å; F187-L191 HydrophobicContact CD1-CD1 3.98Å; F187-L191 HydrophobicContact CE1-CD1 3.37Å; F187-L191 HydrophobicContact CE1-CG 4.15Å; F187-L191 HydrophobicContact CE2-CD1 4.45Å; F187-L191 HydrophobicContact CE2-CG 4.44Å; F187-L191 HydrophobicContact CZ-CD1 3.64Å; F187-L191 HydrophobicContact CZ-CD2 4.48Å; F187-L191 HydrophobicContact CZ-CG 4.08Å; F187-L191 PolarHBondContact O-N 3.34Å; F187-M299 HydrophobicContact CE2-CE 4.46Å; F187-M299 HydrophobicContact CZ-CE 4.49Å; F187-Q302 HydrophobicContact CD2-CB 3.96Å; F187-Q302 HydrophobicContact CE2-CB 4.1Å; F187-L303 HydrophobicContact CE2-CD2 4.17Å; F187-L303 HydrophobicContact CZ-CD2 4.23Å; F187-L306 HydrophobicContact CD1-CD2 4.11Å; F187-L306 HydrophobicContact CD2-CB 4.41Å; F187-L306 HydrophobicContact CD2-CD2 4.23Å; F187-L306 HydrophobicContact CE1-CD2 3.98Å; F187-L306 HydrophobicContact CE2-CD2 4.13Å; F187-L306 HydrophobicContact CG-CD2 4.23Å; F187-L306 HydrophobicContact CZ-CD2 4Å |
| 188 | V | 98.4 | Very high | 97.1 | Very high | 13 Ų | 13 | 48.7 Ų | 48.7 | 8% | 0.079 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.9 | -48.5 | 176.1 | 172.5 | 0 | 0 | 0 | 0 | 111 | A128 E129 A132 L184 N185 T190 L191 N192 | A128-V188 HydrophobicContact CB-CG2 3.75Å; E129-V188 HydrophobicContact CB-CG1 4.27Å; A132-V188 HydrophobicContact CB-CG2 4.45Å; L184-V188 WeakPolarHBondContact O-CG2 3.14Å; L184-V188 PolarHBondContact O-N 2.98Å; N185-V188 WeakPolarHBondContact O-CB 3.44Å; N185-V188 PolarHBondContact O-N 3.08Å; N185-V188 VanDerWaalsContact O-N 3.14Å; V188-T190 VanDerWaalsContact C-N 3.3Å; V188-T190 PolarHBondContact O-N 3.39Å; V188-L191 PolarHBondContact O-N 2.91Å; V188-N192 PolarHBondContact O-N 3.33Å |
| 189 | D | 97.8 | Very high | 97.2 | Very high | 95 Ų | 95 | 44.7 Ų | 44.7 | 51% | 0.508 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.5 | -38.7 | 179.3 | -68.4 | -26 | 0 | 0 | 0 | 112.1 | N185 N192 T193 | N185-D189 PolarHBondContact O-N 2.92Å; D189-N192 PolarHBondContact O-N 3.32Å; D189-T193 WeakPolarHBondContact O-CB 3.26Å; D189-T193 PolarHBondContact O-N 3.45Å; D189-T193 PolarHBondContact O-OG1 3.05Å |
| 190 | T | 97.4 | Very high | 97.2 | Very high | 26 Ų | 26 | 41.7 Ų | 41.7 | 16% | 0.16 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.4 | -42 | 177.3 | -56.4 | 0 | 0 | 0 | 0 | 111.7 | H186 F187 V188 N192 T193 L194 V298 Q302 | H186-T190 WeakPolarHBondContact O-CB 3.46Å; H186-T190 PolarHBondContact O-N 2.77Å; H186-T190 PolarHBondContact O-OG1 3.42Å; F187-T190 PolarHBondContact O-N 3.04Å; V188-T190 VanDerWaalsContact C-N 3.3Å; V188-T190 PolarHBondContact O-N 3.39Å; T190-N192 VanDerWaalsContact C-N 3.35Å; T190-T193 PolarHBondContact O-N 2.88Å; T190-L194 WeakPolarHBondContact O-CB 3.42Å; T190-L194 PolarHBondContact O-N 2.87Å; T190-V298 HydrophobicContact CG2-CG1 3.55Å; T190-Q302 HydrophobicContact CG2-CG 3.62Å; T190-Q302 PolarHBondContact OG1-NE2 2.97Å |
| 191 | L | 97.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61 | -44.5 | 172.8 | -79.6 | 179.2 | 0 | 0 | 0 | 111.5 | Y121 L124 H125 A128 F187 V188 T193 L194 I195 M299 | Y121-L191 HydrophobicContact CD1-CD2 4.24Å; L124-L191 HydrophobicContact CD2-CD1 4.24Å; L124-L191 HydrophobicContact CD2-CD2 4.29Å; L124-L191 HydrophobicContact CG-CD1 4Å; H125-L191 HydrophobicContact CB-CB 4.33Å; H125-L191 HydrophobicContact CB-CD1 4.41Å; A128-L191 HydrophobicContact CB-CD1 4.34Å; F187-L191 HydrophobicContact CD1-CD1 3.98Å; F187-L191 HydrophobicContact CE1-CD1 3.37Å; F187-L191 HydrophobicContact CE1-CG 4.15Å; F187-L191 HydrophobicContact CE2-CD1 4.45Å; F187-L191 HydrophobicContact CE2-CG 4.44Å; F187-L191 HydrophobicContact CZ-CD1 3.64Å; F187-L191 HydrophobicContact CZ-CD2 4.48Å; F187-L191 HydrophobicContact CZ-CG 4.08Å; F187-L191 PolarHBondContact O-N 3.34Å; V188-L191 PolarHBondContact O-N 2.91Å; L191-T193 VanDerWaalsContact C-N 3.32Å; L191-T193 PolarHBondContact O-N 3.49Å; L191-L194 PolarHBondContact O-N 3.33Å; L191-I195 WeakPolarHBondContact O-CB 3.18Å; L191-I195 WeakPolarHBondContact O-CD1 3.23Å; L191-I195 VanDerWaalsContact O-CG1 3.24Å; L191-I195 WeakPolarHBondContact O-CG1 3.49Å; L191-I195 PolarHBondContact O-N 2.75Å; L191-M299 HydrophobicContact CD2-CE 3.83Å; L191-M299 HydrophobicContact CD2-SD 3.57Å; L191-M299 VanDerWaalsContact CD2-SD 3.57Å |
| 192 | N | 97.9 | Very high | 97.3 | Very high | 69 Ų | 69 | 43.5 Ų | 43.5 | 37% | 0.369 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 177.3 | -175.1 | 35.1 | 0 | 0 | 0 | 111 | V188 D189 T190 L194 I195 S196 | V188-N192 PolarHBondContact O-N 3.33Å; D189-N192 PolarHBondContact O-N 3.32Å; T190-N192 VanDerWaalsContact C-N 3.35Å; N192-L194 PolarHBondContact O-N 2.94Å; N192-I195 PolarHBondContact O-N 3.37Å; N192-S196 WeakPolarHBondContact O-CB 3.41Å; N192-S196 PolarHBondContact O-N 2.86Å; N192-S196 PolarHBondContact O-OG 3.38Å; N192-S196 PolarHBondContact OD1-OG 2.85Å |
| 193 | T | 97.5 | Very high | 97.3 | Very high | 77 Ų | 77 | 43.2 Ų | 43.2 | 47% | 0.472 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.6 | -46.1 | 177.8 | -60 | 0 | 0 | 0 | 0 | 111.4 | D189 T190 L191 I195 H197 | D189-T193 WeakPolarHBondContact O-CB 3.26Å; D189-T193 PolarHBondContact O-N 3.45Å; D189-T193 PolarHBondContact O-OG1 3.05Å; T190-T193 PolarHBondContact O-N 2.88Å; L191-T193 VanDerWaalsContact C-N 3.32Å; L191-T193 PolarHBondContact O-N 3.49Å; T193-I195 PolarHBondContact O-N 3.02Å; T193-H197 WeakPolarHBondContact O-CB 3.36Å; T193-H197 PolarHBondContact O-N 3.39Å |
| 194 | L | 96.5 | Very high | 97.3 | Very high | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -60.2 | -46.2 | 177.9 | -178.8 | 66.8 | 0 | 0 | 0 | 111.3 | Y121 T190 L191 N192 A198 F199 R295 M299 | Y121-L194 HydrophobicContact CD1-CD2 3.84Å; Y121-L194 HydrophobicContact CE1-CD2 3.65Å; T190-L194 WeakPolarHBondContact O-CB 3.42Å; T190-L194 PolarHBondContact O-N 2.87Å; L191-L194 PolarHBondContact O-N 3.33Å; N192-L194 PolarHBondContact O-N 2.94Å; L194-A198 HydrophobicContact CD1-CB 4.02Å; L194-A198 WeakPolarHBondContact O-CB 3.43Å; L194-A198 PolarHBondContact O-N 3.17Å; L194-A198 VanDerWaalsContact O-N 3.09Å; L194-F199 HydrophobicContact CD2-CE2 4.24Å; L194-F199 HydrophobicContact CG-CD2 4.11Å; L194-F199 HydrophobicContact CG-CE2 3.95Å; L194-F199 WeakPolarHBondContact O-CD2 3.07Å; L194-F199 PolarHBondContact O-N 3.13Å; L194-R295 HydrophobicContact CD1-CB 4.43Å; L194-R295 HydrophobicContact CD2-CG 4.22Å; L194-M299 HydrophobicContact CD2-CG 4.09Å; L194-M299 HydrophobicContact CD2-SD 4Å |
| 195 | I | 97.1 | Very high | 97.3 | Very high | 14 Ų | 14 | 43.3 Ų | 43.3 | 7% | 0.072 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -70.1 | -53.3 | -179.2 | -66.5 | 163.2 | 0 | 0 | 0 | 111.3 | Y121 K122 H125 L191 N192 T193 H197 F199 T200 | Y121-I195 WeakPolarHBondContact O-CD1 3.4Å; K122-I195 HydrophobicContact CG-CD1 4.46Å; K122-I195 HydrophobicContact CG-CG2 3.92Å; H125-I195 HydrophobicContact CB-CD1 3.65Å; L191-I195 WeakPolarHBondContact O-CB 3.18Å; L191-I195 WeakPolarHBondContact O-CD1 3.23Å; L191-I195 VanDerWaalsContact O-CG1 3.24Å; L191-I195 WeakPolarHBondContact O-CG1 3.49Å; L191-I195 PolarHBondContact O-N 2.75Å; N192-I195 PolarHBondContact O-N 3.37Å; T193-I195 PolarHBondContact O-N 3.02Å; I195-H197 PolarHBondContact O-N 3.26Å; I195-F199 WeakPolarHBondContact O-CB 3.46Å; I195-T200 PolarHBondContact O-N 3.44Å; I195-T200 PolarHBondContact O-OG1 3.35Å |
| 196 | S | 96.6 | Very high | 97.2 | Very high | 53 Ų | 53 | 41.2 Ų | 41.2 | 37% | 0.371 | 23% | 0.225 | S | C | . | . | I | π-helix | trans | -71.6 | -30.1 | -171.9 | -66.5 | 0 | 0 | 0 | 0 | 112.8 | N192 T200 | N192-S196 WeakPolarHBondContact O-CB 3.41Å; N192-S196 PolarHBondContact O-N 2.86Å; N192-S196 PolarHBondContact O-OG 3.38Å; N192-S196 PolarHBondContact OD1-OG 2.85Å; S196-T200 WeakPolarHBondContact O-CB 3.48Å; S196-T200 PolarHBondContact O-OG1 3.49Å |
| 197 | H | 95.9 | Very high | 97.2 | Very high | 131 Ų | 131 | 39.4 Ų | 39.4 | 61% | 0.606 | 22% | 0.223 | S | C | * | . | I | π-helix | trans | -106 | -61.7 | 179.5 | -62.3 | -75.7 | 0 | 0 | 0 | 112.9 | T193 I195 T200 D201 | T193-H197 WeakPolarHBondContact O-CB 3.36Å; T193-H197 PolarHBondContact O-N 3.39Å; I195-H197 PolarHBondContact O-N 3.26Å; H197-T200 PolarHBondContact O-N 3.26Å; H197-D201 VanDerWaalsContact O-CB 3.31Å; H197-D201 WeakPolarHBondContact O-CB 3.34Å; H197-D201 PolarHBondContact O-N 2.84Å |
| 198 | A | 95.9 | Very high | 97.1 | Very high | 26 Ų | 26 | 41.6 Ų | 41.6 | 22% | 0.215 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -71.6 | -44.7 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L194 T202 L291 | L194-A198 HydrophobicContact CD1-CB 4.02Å; L194-A198 WeakPolarHBondContact O-CB 3.43Å; L194-A198 PolarHBondContact O-N 3.17Å; L194-A198 VanDerWaalsContact O-N 3.09Å; A198-T202 PolarHBondContact O-N 3.5Å; A198-T202 PolarHBondContact O-OG1 2.74Å; A198-T202 VanDerWaalsContact O-OG1 3.11Å; A198-L291 HydrophobicContact CB-CD1 3.7Å |
| 199 | F | 97.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -65.4 | -43.3 | 173.7 | -83.8 | -93.4 | 0 | 0 | 0 | 111.3 | F114 M117 H118 Y121 L194 I195 T202 W203 L291 | F114-F199 HydrophobicContact CD2-CD1 4.18Å; F114-F199 HydrophobicContact CD2-CE1 4.17Å; F114-F199 AromaticContact CE2-CD1 3.41Å; F114-F199 HydrophobicContact CE2-CD1 3.41Å; F114-F199 VanDerWaalsContact CE2-CD1 3.41Å; F114-F199 AromaticContact CE2-CE1 3.84Å; F114-F199 HydrophobicContact CE2-CE1 3.84Å; F114-F199 HydrophobicContact CE2-CG 4.38Å; F114-F199 HydrophobicContact CZ-CD1 4.13Å; M117-F199 HydrophobicContact CE-CE1 3.57Å; M117-F199 HydrophobicContact CE-CZ 3.74Å; M117-F199 HydrophobicContact CG-CE1 4.21Å; M117-F199 HydrophobicContact CG-CZ 4.09Å; M117-F199 HydrophobicContact SD-CZ 4.49Å; H118-F199 HydrophobicContact CB-CD1 3.57Å; H118-F199 HydrophobicContact CB-CE1 3.75Å; H118-F199 AromaticContact CD2-CD1 3.85Å; H118-F199 AromaticContact CG-CD1 3.71Å; Y121-F199 HydrophobicContact CD1-CE2 4.07Å; Y121-F199 HydrophobicContact CD1-CZ 4.33Å; Y121-F199 HydrophobicContact CD2-CZ 4.27Å; Y121-F199 HydrophobicContact CG-CE2 4.18Å; Y121-F199 HydrophobicContact CG-CZ 4.08Å; L194-F199 HydrophobicContact CD2-CE2 4.24Å; L194-F199 HydrophobicContact CG-CD2 4.11Å; L194-F199 HydrophobicContact CG-CE2 3.95Å; L194-F199 WeakPolarHBondContact O-CD2 3.07Å; L194-F199 PolarHBondContact O-N 3.13Å; I195-F199 WeakPolarHBondContact O-CB 3.46Å; F199-T202 PolarHBondContact O-N 2.88Å; F199-W203 VanDerWaalsContact O-CB 3.28Å; F199-W203 WeakPolarHBondContact O-CB 3.42Å; F199-W203 PolarHBondContact O-N 3.43Å; F199-L291 HydrophobicContact CD1-CD2 4.17Å; F199-L291 HydrophobicContact CE1-CD2 4.32Å; F199-L291 HydrophobicContact CG-CD2 4.45Å |
| 200 | T | 96.5 | Very high | 96.9 | Very high | 62 Ų | 62 | 39 Ų | 39 | 38% | 0.38 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.1 | -41.7 | 178.5 | -56.5 | 0 | 0 | 0 | 0 | 113 | I195 S196 H197 W203 T204 | I195-T200 PolarHBondContact O-N 3.44Å; I195-T200 PolarHBondContact O-OG1 3.35Å; S196-T200 WeakPolarHBondContact O-CB 3.48Å; S196-T200 PolarHBondContact O-OG1 3.49Å; H197-T200 PolarHBondContact O-N 3.26Å; T200-W203 PolarHBondContact O-N 2.97Å; T200-T204 WeakPolarHBondContact O-CB 3.49Å; T200-T204 PolarHBondContact O-N 2.95Å; T200-T204 PolarHBondContact O-OG1 3.25Å |
| 201 | D | 97.1 | Very high | 96.7 | Very high | 65 Ų | 65 | 40.5 Ų | 40.5 | 35% | 0.348 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.7 | -46 | 176.9 | 172.2 | 65.8 | 0 | 0 | 0 | 111.6 | H197 W203 T204 T205 K287 | H197-D201 VanDerWaalsContact O-CB 3.31Å; H197-D201 WeakPolarHBondContact O-CB 3.34Å; H197-D201 PolarHBondContact O-N 2.84Å; D201-W203 VanDerWaalsContact C-N 3.35Å; D201-W203 PolarHBondContact O-N 2.85Å; D201-T204 PolarHBondContact O-N 3.44Å; D201-T205 PolarHBondContact O-N 3.29Å; D201-T205 PolarHBondContact O-OG1 2.84Å; D201-K287 PolarHBondContact O-NZ 3.45Å; D201-K287 IonicContact OD1-NZ 2.69Å; D201-K287 PolarHBondContact OD1-NZ 3.47Å; D201-K287 WeakPolarHBondContact OD2-CE 3.39Å; D201-K287 IonicContact OD2-NZ 3.77Å; D201-K287 PolarHBondContact OD2-NZ 3.21Å |
| 202 | T | 97.6 | Very high | 96.6 | Very high | 4 Ų | 4 | 40.6 Ų | 40.6 | 3% | 0.025 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.7 | -42.8 | 176 | -57.1 | 0 | 0 | 0 | 0 | 111 | F114 A198 F199 T204 T205 V206 K287 L288 L291 | F114-T202 HydrophobicContact CE1-CG2 4.11Å; F114-T202 HydrophobicContact CE2-CG2 4.03Å; F114-T202 HydrophobicContact CZ-CG2 3.73Å; A198-T202 PolarHBondContact O-N 3.5Å; A198-T202 PolarHBondContact O-OG1 2.74Å; A198-T202 VanDerWaalsContact O-OG1 3.11Å; F199-T202 PolarHBondContact O-N 2.88Å; T202-T204 VanDerWaalsContact C-N 3.33Å; T202-T204 PolarHBondContact O-N 3.38Å; T202-T205 PolarHBondContact O-N 3.01Å; T202-V206 WeakPolarHBondContact O-CG2 3.38Å; T202-V206 PolarHBondContact O-N 3.34Å; T202-K287 HydrophobicContact CG2-CB 4.21Å; T202-L288 HydrophobicContact CG2-CD2 3.84Å; T202-L288 HydrophobicContact CG2-CG 4.44Å; T202-L291 HydrophobicContact CG2-CD2 4.1Å |
| 203 | W | 97.4 | Very high | 96.5 | Very high | 55 Ų | 55 | 38.6 Ų | 38.6 | 21% | 0.208 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.1 | -40.5 | 177.2 | -175.9 | -99.6 | 0 | 0 | 0 | 112.5 | Y8 F114 R115 F199 T200 D201 T205 V206 S207 | Y8-W203 HydrophobicContact CE1-CZ2 4.03Å; Y8-W203 AromaticContact CZ-CZ2 3.9Å; Y8-W203 WeakPolarHBondContact OH-CH2 3.43Å; Y8-W203 WeakPolarHBondContact OH-CZ2 3.27Å; F114-W203 HydrophobicContact CD1-CE3 4.46Å; F114-W203 AromaticContact CE1-CE3 3.72Å; F114-W203 HydrophobicContact CE1-CE3 3.72Å; F114-W203 HydrophobicContact CE1-CZ3 4.37Å; F114-W203 HydrophobicContact CZ-CB 4.48Å; F114-W203 HydrophobicContact CZ-CE3 4.46Å; R115-W203 HydrophobicContact CG-CH2 4.08Å; R115-W203 HydrophobicContact CG-CZ3 3.54Å; R115-W203 VanDerWaalsContact NE-CH2 3.32Å; F199-W203 VanDerWaalsContact O-CB 3.28Å; F199-W203 WeakPolarHBondContact O-CB 3.42Å; F199-W203 PolarHBondContact O-N 3.43Å; T200-W203 PolarHBondContact O-N 2.97Å; D201-W203 VanDerWaalsContact C-N 3.35Å; D201-W203 PolarHBondContact O-N 2.85Å; W203-T205 VanDerWaalsContact C-N 3.28Å; W203-T205 PolarHBondContact O-N 3.33Å; W203-V206 PolarHBondContact O-N 2.89Å; W203-S207 WeakPolarHBondContact O-CB 3.45Å; W203-S207 PolarHBondContact O-N 3.49Å |
| 204 | T | 97 | Very high | 96.4 | Very high | 45 Ų | 45 | 36.4 Ų | 36.4 | 28% | 0.276 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.6 | -40.4 | 177.7 | -59.7 | 0 | 0 | 0 | 0 | 111.1 | T200 D201 T202 S207 S208 | T200-T204 WeakPolarHBondContact O-CB 3.49Å; T200-T204 PolarHBondContact O-N 2.95Å; T200-T204 PolarHBondContact O-OG1 3.25Å; D201-T204 PolarHBondContact O-N 3.44Å; T202-T204 VanDerWaalsContact C-N 3.33Å; T202-T204 PolarHBondContact O-N 3.38Å; T204-S207 PolarHBondContact O-N 3.27Å; T204-S208 WeakPolarHBondContact O-CB 3.31Å; T204-S208 PolarHBondContact O-N 2.86Å; T204-S208 PolarHBondContact O-OG 3.49Å |
| 205 | T | 97.6 | Very high | 96.2 | Very high | 17 Ų | 17 | 38.6 Ų | 38.6 | 10% | 0.104 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.1 | -40.8 | 175.6 | -53.3 | 0 | 0 | 0 | 0 | 112.2 | D201 T202 W203 S207 S208 M209 A283 V284 K287 | D201-T205 PolarHBondContact O-N 3.29Å; D201-T205 PolarHBondContact O-OG1 2.84Å; T202-T205 PolarHBondContact O-N 3.01Å; W203-T205 VanDerWaalsContact C-N 3.28Å; W203-T205 PolarHBondContact O-N 3.33Å; T205-S207 VanDerWaalsContact C-N 3.35Å; T205-S207 PolarHBondContact O-N 3.5Å; T205-S208 PolarHBondContact O-N 3.35Å; T205-M209 PolarHBondContact O-N 3.45Å; T205-A283 HydrophobicContact CG2-CB 4.15Å; T205-V284 HydrophobicContact CG2-CG2 3.85Å; T205-K287 HydrophobicContact CG2-CD 4.14Å; T205-K287 VanDerWaalsContact OG1-CD 3.32Å; T205-K287 WeakPolarHBondContact OG1-CD 3.47Å; T205-K287 WeakPolarHBondContact OG1-CE 3.45Å; T205-K287 PolarHBondContact OG1-NZ 3.43Å |
| 206 | V | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.2 | -47.1 | 172.6 | 171 | 0 | 0 | 0 | 0 | 110.9 | I111 F114 T202 W203 S208 M209 Q210 V284 | I111-V206 HydrophobicContact CD1-CG1 4.13Å; I111-V206 HydrophobicContact CG1-CG1 4.38Å; I111-V206 HydrophobicContact CG1-CG2 4.45Å; I111-V206 HydrophobicContact CG2-CG1 4.01Å; F114-V206 HydrophobicContact CE1-CG2 4.35Å; T202-V206 WeakPolarHBondContact O-CG2 3.38Å; T202-V206 PolarHBondContact O-N 3.34Å; W203-V206 PolarHBondContact O-N 2.89Å; V206-S208 VanDerWaalsContact C-N 3.33Å; V206-S208 PolarHBondContact O-N 3.28Å; V206-M209 WeakPolarHBondContact O-CB 3.05Å; V206-M209 PolarHBondContact O-N 2.84Å; V206-Q210 HydrophobicContact CG1-CG 4.48Å; V206-Q210 WeakPolarHBondContact O-CG 3.36Å; V206-Q210 PolarHBondContact O-N 3.45Å; V206-V284 HydrophobicContact CG2-CG1 3.78Å; V206-V284 HydrophobicContact CG2-CG2 4.2Å |
| 207 | S | 96.5 | Very high | 96 | Very high | 60 Ų | 60 | 37.6 Ų | 37.6 | 42% | 0.42 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.7 | -41 | 177.8 | -170.3 | 0 | 0 | 0 | 0 | 112 | W203 T204 T205 Q210 S211 | W203-S207 WeakPolarHBondContact O-CB 3.45Å; W203-S207 PolarHBondContact O-N 3.49Å; T204-S207 PolarHBondContact O-N 3.27Å; T205-S207 VanDerWaalsContact C-N 3.35Å; T205-S207 PolarHBondContact O-N 3.5Å; S207-Q210 PolarHBondContact O-N 2.95Å; S207-S211 PolarHBondContact O-N 2.97Å |
| 208 | S | 96.7 | Very high | 95.9 | Very high | 54 Ų | 54 | 31.8 Ų | 31.8 | 38% | 0.378 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.3 | -43.4 | 176.5 | -61.3 | 0 | 0 | 0 | 0 | 111.8 | T204 T205 V206 S211 A212 | T204-S208 WeakPolarHBondContact O-CB 3.31Å; T204-S208 PolarHBondContact O-N 2.86Å; T204-S208 PolarHBondContact O-OG 3.49Å; T205-S208 PolarHBondContact O-N 3.35Å; V206-S208 VanDerWaalsContact C-N 3.33Å; V206-S208 PolarHBondContact O-N 3.28Å; S208-S211 PolarHBondContact O-N 3.48Å; S208-A212 PolarHBondContact O-N 3.47Å |
| 209 | M | 96.9 | Very high | 95.7 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.8 | -45.5 | 174.7 | -176 | -152.2 | 69.2 | 0 | 0 | 111.5 | L107 I111 T205 V206 S211 A212 R213 Y277 L280 R281 V284 | L107-M209 HydrophobicContact CD2-CE 4.28Å; L107-M209 HydrophobicContact CD2-SD 3.61Å; I111-M209 HydrophobicContact CD1-CE 3.74Å; T205-M209 PolarHBondContact O-N 3.45Å; V206-M209 WeakPolarHBondContact O-CB 3.05Å; V206-M209 PolarHBondContact O-N 2.84Å; M209-S211 VanDerWaalsContact C-N 3.33Å; M209-S211 PolarHBondContact O-N 3.45Å; M209-A212 PolarHBondContact O-N 3.39Å; M209-A212 VanDerWaalsContact O-N 3.15Å; M209-R213 PolarHBondContact O-N 3.41Å; M209-Y277 HydrophobicContact CG-CD2 4.26Å; M209-Y277 HydrophobicContact CG-CE2 4.15Å; M209-L280 HydrophobicContact CB-CB 3.9Å; M209-L280 HydrophobicContact CG-CB 4.06Å; M209-R281 HydrophobicContact SD-CB 4.47Å; M209-V284 HydrophobicContact CB-CG2 3.77Å; M209-V284 HydrophobicContact CG-CG2 4.22Å; M209-V284 HydrophobicContact SD-CB 4.17Å; M209-V284 HydrophobicContact SD-CG1 4.49Å; M209-V284 HydrophobicContact SD-CG2 3.82Å |
| 210 | Q | 95 | Very high | 95.4 | Very high | 51 Ų | 51 | 33.5 Ų | 33.5 | 24% | 0.238 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.6 | -40.8 | 177.8 | -72.4 | -170.7 | -38.4 | 0 | 0 | 111.9 | V206 S207 R213 I214 | V206-Q210 HydrophobicContact CG1-CG 4.48Å; V206-Q210 WeakPolarHBondContact O-CG 3.36Å; V206-Q210 PolarHBondContact O-N 3.45Å; S207-Q210 PolarHBondContact O-N 2.95Å; Q210-R213 WeakPolarHBondContact O-CB 3.22Å; Q210-R213 PolarHBondContact O-N 3.47Å; Q210-I214 WeakPolarHBondContact O-CG1 3.32Å; Q210-I214 PolarHBondContact O-N 2.82Å; Q210-I214 VanDerWaalsContact O-N 3.13Å |
| 211 | S | 93.7 | Very high | 95 | Very high | 59 Ų | 59 | 31.7 Ų | 31.7 | 41% | 0.413 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -63 | -41 | 173.3 | -177.7 | 0 | 0 | 0 | 0 | 112.1 | S207 S208 M209 I214 Q215 | S207-S211 PolarHBondContact O-N 2.97Å; S208-S211 PolarHBondContact O-N 3.48Å; M209-S211 VanDerWaalsContact C-N 3.33Å; M209-S211 PolarHBondContact O-N 3.45Å; S211-I214 PolarHBondContact O-N 3.15Å; S211-Q215 WeakPolarHBondContact O-CG 3.44Å; S211-Q215 PolarHBondContact O-N 2.89Å; S211-Q215 VanDerWaalsContact O-N 3.11Å |
| 212 | A | 95.1 | Very high | 94.6 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 2% | 0.017 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.3 | -37.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S208 M209 Q215 Y216 R276 L280 | S208-A212 PolarHBondContact O-N 3.47Å; M209-A212 PolarHBondContact O-N 3.39Å; M209-A212 VanDerWaalsContact O-N 3.15Å; A212-Q215 PolarHBondContact O-N 3.01Å; A212-Y216 WeakPolarHBondContact O-CB 3.46Å; A212-Y216 PolarHBondContact O-N 3.11Å; A212-R276 HydrophobicContact CB-CG 4.34Å; A212-L280 HydrophobicContact CB-CD1 3.62Å |
| 213 | R | 95.9 | Very high | 94.1 | Very high | 27 Ų | 27 | 31 Ų | 31 | 10% | 0.102 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.9 | -48.9 | 173.3 | -174.9 | -154.2 | 62.4 | 89.6 | -12.1 | 111.5 | E94 T102 M209 Q210 Q215 Y216 D217 Y277 | E94-R213 IonicContact OE1-CZ 2.63Å; E94-R213 IonicContact OE1-NH1 3.09Å; E94-R213 PolarHBondContact OE1-NH1 3.32Å; E94-R213 IonicContact OE1-NH2 3.47Å; E94-R213 PolarHBondContact OE1-NH2 3.43Å; E94-R213 IonicContact OE2-CZ 2.86Å; E94-R213 IonicContact OE2-NH1 2.8Å; E94-R213 PolarHBondContact OE2-NH1 3.08Å; E94-R213 IonicContact OE2-NH2 3.13Å; E94-R213 PolarHBondContact OE2-NH2 2.96Å; T102-R213 VanDerWaalsContact O-CD 3.24Å; T102-R213 WeakPolarHBondContact O-CD 3.17Å; M209-R213 PolarHBondContact O-N 3.41Å; Q210-R213 WeakPolarHBondContact O-CB 3.22Å; Q210-R213 PolarHBondContact O-N 3.47Å; R213-Q215 VanDerWaalsContact C-N 3.31Å; R213-Q215 PolarHBondContact O-N 3.36Å; R213-Y216 WeakPolarHBondContact O-CB 3.21Å; R213-Y216 PolarHBondContact O-N 3.18Å; R213-D217 IonicContact CZ-OD2 2.7Å; R213-D217 IonicContact NH1-OD2 3.8Å; R213-D217 PolarHBondContact NH1-OD2 3.03Å; R213-D217 PolarHBondContact O-N 2.7Å; R213-Y277 HydrophobicContact CB-CD2 3.78Å; R213-Y277 HydrophobicContact CB-CE2 3.71Å; R213-Y277 HydrophobicContact CG-CD2 4.41Å; R213-Y277 HydrophobicContact CG-CE2 4Å |
| 214 | I | 94 | Very high | 93.6 | Very high | 32 Ų | 32 | 32.2 Ų | 32.2 | 16% | 0.164 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.1 | -42 | 179.4 | -66.1 | 166.8 | 0 | 0 | 0 | 110.7 | C87 Q90 Q210 S211 D217 A218 | C87-I214 HydrophobicContact CB-CG2 3.86Å; C87-I214 WeakPolarHBondContact O-CG2 3.24Å; Q90-I214 HydrophobicContact CB-CG2 4.23Å; Q90-I214 HydrophobicContact CG-CG2 4.14Å; Q210-I214 WeakPolarHBondContact O-CG1 3.32Å; Q210-I214 PolarHBondContact O-N 2.82Å; Q210-I214 VanDerWaalsContact O-N 3.13Å; S211-I214 PolarHBondContact O-N 3.15Å; I214-D217 PolarHBondContact O-N 3.01Å; I214-A218 WeakPolarHBondContact O-CB 3.32Å; I214-A218 PolarHBondContact O-N 3.14Å |
| 215 | Q | 93.2 | Very high | 93 | Very high | 51 Ų | 51 | 35.2 Ų | 35.2 | 24% | 0.238 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62 | -44.8 | 175.7 | -76.7 | 175.6 | 33.9 | 0 | 0 | 112.2 | C87 S211 A212 R213 A218 Y219 | C87-Q215 WeakPolarHBondContact SG-CG 3.44Å; S211-Q215 WeakPolarHBondContact O-CG 3.44Å; S211-Q215 PolarHBondContact O-N 2.89Å; S211-Q215 VanDerWaalsContact O-N 3.11Å; A212-Q215 PolarHBondContact O-N 3.01Å; R213-Q215 VanDerWaalsContact C-N 3.31Å; R213-Q215 PolarHBondContact O-N 3.36Å; Q215-A218 PolarHBondContact O-N 3.39Å; Q215-Y219 WeakPolarHBondContact O-CD2 3.4Å; Q215-Y219 PolarHBondContact O-N 3.01Å; Q215-Y219 VanDerWaalsContact O-N 3.09Å |
| 216 | Y | 94.7 | Very high | 92.2 | Very high | 46 Ų | 46 | 37.7 Ų | 37.7 | 18% | 0.18 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.1 | -48.2 | 176.1 | 170.2 | -108.2 | 0 | 0 | 0 | 111.7 | T102 A212 R213 A218 Y219 R220 L270 A273 C274 | T102-Y216 HydrophobicContact CG2-CD1 4.47Å; T102-Y216 HydrophobicContact CG2-CE1 4.34Å; T102-Y216 WeakPolarHBondContact OG1-CD1 3.37Å; T102-Y216 VanDerWaalsContact OG1-CE1 3.29Å; T102-Y216 WeakPolarHBondContact OG1-CE1 3.42Å; A212-Y216 WeakPolarHBondContact O-CB 3.46Å; A212-Y216 PolarHBondContact O-N 3.11Å; R213-Y216 WeakPolarHBondContact O-CB 3.21Å; R213-Y216 PolarHBondContact O-N 3.18Å; Y216-A218 VanDerWaalsContact C-N 3.33Å; Y216-A218 PolarHBondContact O-N 2.94Å; Y216-Y219 PolarHBondContact O-N 3.45Å; Y216-R220 WeakPolarHBondContact O-CB 3.5Å; Y216-R220 PolarHBondContact O-N 2.98Å; Y216-L270 HydrophobicContact CD2-CD1 3.69Å; Y216-L270 HydrophobicContact CE2-CD1 3.57Å; Y216-L270 HydrophobicContact CE2-CG 4.36Å; Y216-A273 HydrophobicContact CD2-CB 4.48Å; Y216-C274 HydrophobicContact CD2-CB 3.84Å; Y216-C274 HydrophobicContact CE2-CB 3.65Å |
| 217 | D | 95 | Very high | 91.3 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.2 | -38.3 | 178.8 | -75.6 | -33.7 | 0 | 0 | 0 | 111.9 | Q90 T102 R213 I214 R220 N221 | Q90-D217 HydrophobicContact CG-CB 4.03Å; T102-D217 WeakPolarHBondContact CB-OD1 3.4Å; T102-D217 PolarHBondContact N-OD1 2.85Å; T102-D217 PolarHBondContact N-OD2 3.32Å; T102-D217 PolarHBondContact OG1-OD1 3.06Å; R213-D217 IonicContact CZ-OD2 2.7Å; R213-D217 IonicContact NH1-OD2 3.8Å; R213-D217 PolarHBondContact NH1-OD2 3.03Å; R213-D217 PolarHBondContact O-N 2.7Å; I214-D217 PolarHBondContact O-N 3.01Å; D217-R220 PolarHBondContact O-N 3.3Å; D217-R220 IonicContact OD1-CZ 3.37Å; D217-R220 IonicContact OD1-NE 2.68Å; D217-R220 IonicContact OD1-NH1 2.71Å; D217-R220 PolarHBondContact OD1-NH1 3.34Å; D217-R220 IonicContact OD1-NH2 2.73Å; D217-R220 PolarHBondContact OD1-NH2 3.28Å; D217-N221 WeakPolarHBondContact O-CB 3.41Å; D217-N221 VanDerWaalsContact O-CG 3.28Å; D217-N221 PolarHBondContact O-N 3.2Å; D217-N221 PolarHBondContact O-ND2 3.16Å |
| 218 | A | 92.5 | Very high | 90.2 | Very high | 9 Ų | 9 | 45.5 Ų | 45.5 | 7% | 0.074 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.2 | -46.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K86 Q90 I214 Q215 Y216 N221 E222 | K86-A218 HydrophobicContact CB-CB 4.33Å; Q90-A218 HydrophobicContact CB-CB 4.07Å; Q90-A218 HydrophobicContact CG-CB 4.44Å; I214-A218 WeakPolarHBondContact O-CB 3.32Å; I214-A218 PolarHBondContact O-N 3.14Å; Q215-A218 PolarHBondContact O-N 3.39Å; Y216-A218 VanDerWaalsContact C-N 3.33Å; Y216-A218 PolarHBondContact O-N 2.94Å; A218-N221 PolarHBondContact O-N 3.46Å; A218-E222 PolarHBondContact O-N 3.4Å |
| 219 | Y | 92.2 | Very high | 88.7 | Confident | 14 Ų | 14 | 53.6 Ų | 53.6 | 6% | 0.055 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.4 | -36.5 | 176.6 | -65.2 | -39.4 | 0 | 0 | 0 | 112.6 | T83 Q215 Y216 N221 E222 M223 L266 R269 A273 | T83-Y219 WeakPolarHBondContact CG2-OH 3.29Å; Q215-Y219 WeakPolarHBondContact O-CD2 3.4Å; Q215-Y219 PolarHBondContact O-N 3.01Å; Q215-Y219 VanDerWaalsContact O-N 3.09Å; Y216-Y219 PolarHBondContact O-N 3.45Å; Y219-N221 VanDerWaalsContact C-N 3.34Å; Y219-N221 PolarHBondContact O-N 3.4Å; Y219-E222 PolarHBondContact O-N 2.96Å; Y219-M223 WeakPolarHBondContact O-CB 3.35Å; Y219-M223 PolarHBondContact O-N 3.13Å; Y219-L266 HydrophobicContact CD1-CD1 4.29Å; Y219-R269 HydrophobicContact CD2-CB 4.49Å; Y219-R269 HydrophobicContact CE2-CB 4.43Å; Y219-R269 PolarHBondContact OH-NH2 3.24Å; Y219-A273 HydrophobicContact CD2-CB 3.72Å; Y219-A273 HydrophobicContact CE2-CB 4.09Å |
| 220 | R | 92 | Very high | 86.5 | Confident | 49 Ų | 49 | 61.9 Ų | 61.9 | 19% | 0.185 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61 | -45.6 | 175.2 | -175.1 | -178.1 | 71 | -151.8 | -7.8 | 110.7 | S100 T102 Y216 D217 M223 N224 L270 | S100-R220 PolarHBondContact O-NH2 3.4Å; S100-R220 PolarHBondContact OG-NH2 3.39Å; T102-R220 PolarHBondContact OG1-NH1 2.97Å; Y216-R220 WeakPolarHBondContact O-CB 3.5Å; Y216-R220 PolarHBondContact O-N 2.98Å; D217-R220 PolarHBondContact O-N 3.3Å; D217-R220 IonicContact OD1-CZ 3.37Å; D217-R220 IonicContact OD1-NE 2.68Å; D217-R220 IonicContact OD1-NH1 2.71Å; D217-R220 PolarHBondContact OD1-NH1 3.34Å; D217-R220 IonicContact OD1-NH2 2.73Å; D217-R220 PolarHBondContact OD1-NH2 3.28Å; R220-M223 PolarHBondContact O-N 3.48Å; R220-N224 VanDerWaalsContact O-CG 3.29Å; R220-N224 PolarHBondContact O-N 2.97Å; R220-N224 PolarHBondContact O-ND2 3.28Å; R220-L270 HydrophobicContact CB-CD1 4Å |
| 221 | N | 88.5 | Confident | 84.3 | Confident | 23 Ų | 23 | 65 Ų | 65 | 12% | 0.123 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -68.2 | -34.5 | 179.6 | -72.3 | -17.5 | 0 | 0 | 0 | 112.2 | Q90 S100 D217 A218 Y219 N224 Q225 | Q90-N221 PolarHBondContact OE1-ND2 3.1Å; S100-N221 PolarHBondContact OG-OD1 2.78Å; D217-N221 WeakPolarHBondContact O-CB 3.41Å; D217-N221 VanDerWaalsContact O-CG 3.28Å; D217-N221 PolarHBondContact O-N 3.2Å; D217-N221 PolarHBondContact O-ND2 3.16Å; A218-N221 PolarHBondContact O-N 3.46Å; Y219-N221 VanDerWaalsContact C-N 3.34Å; Y219-N221 PolarHBondContact O-N 3.4Å; N221-N224 PolarHBondContact O-N 2.93Å; N221-Q225 WeakPolarHBondContact O-CG 3.35Å; N221-Q225 PolarHBondContact O-N 3.46Å; N221-Q225 VanDerWaalsContact O-N 3.08Å; N221-Q225 PolarHBondContact O-NE2 2.8Å |
| 222 | E | 87.9 | Confident | 81.9 | Confident | 49 Ų | 49 | 68.1 Ų | 68.1 | 23% | 0.229 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.6 | -45.5 | 172 | -171.9 | 175.2 | -166.2 | 0 | 0 | 111.8 | K86 A218 Y219 N224 Q225 T226 L266 | K86-E222 WeakPolarHBondContact CE-OE1 3.49Å; K86-E222 WeakPolarHBondContact CE-OE2 3.48Å; K86-E222 IonicContact NZ-OE1 2.63Å; K86-E222 PolarHBondContact NZ-OE1 3.03Å; K86-E222 IonicContact NZ-OE2 3.22Å; K86-E222 PolarHBondContact NZ-OE2 3.37Å; A218-E222 PolarHBondContact O-N 3.4Å; Y219-E222 PolarHBondContact O-N 2.96Å; E222-N224 VanDerWaalsContact C-N 3.28Å; E222-N224 PolarHBondContact O-N 3.43Å; E222-Q225 WeakPolarHBondContact O-CB 3.48Å; E222-Q225 PolarHBondContact O-N 2.86Å; E222-Q225 VanDerWaalsContact O-N 3.11Å; E222-T226 PolarHBondContact O-N 3.22Å; E222-L266 HydrophobicContact CB-CD1 4.37Å; E222-L266 HydrophobicContact CB-CD2 4.22Å; E222-L266 HydrophobicContact CG-CD1 4.11Å; E222-L266 HydrophobicContact CG-CD2 3.77Å; E222-L266 WeakPolarHBondContact OE2-CD1 3.47Å |
| 223 | M | 86.6 | Confident | 79.5 | Confident | 5 Ų | 5 | 74 Ų | 74 | 3% | 0.025 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.9 | -35.9 | 177.1 | -177.4 | 61.2 | 75.8 | 0 | 0 | 112.3 | Y219 R220 T226 K227 L266 Q267 L270 | Y219-M223 WeakPolarHBondContact O-CB 3.35Å; Y219-M223 PolarHBondContact O-N 3.13Å; R220-M223 PolarHBondContact O-N 3.48Å; M223-T226 PolarHBondContact O-OG1 3.37Å; M223-K227 WeakPolarHBondContact O-CG 3.48Å; M223-K227 PolarHBondContact O-N 2.97Å; M223-L266 HydrophobicContact CB-CD2 4.14Å; M223-L266 HydrophobicContact CE-CB 3.93Å; M223-L266 HydrophobicContact CE-CD2 3.94Å; M223-L266 HydrophobicContact CE-CG 3.8Å; M223-L266 HydrophobicContact SD-CD2 4.29Å; M223-Q267 HydrophobicContact CE-CB 3.77Å; M223-L270 HydrophobicContact CB-CD2 4.49Å |
| 224 | N | 86.7 | Confident | 77 | Confident | 82 Ų | 82 | 79 Ų | 79 | 44% | 0.439 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -70.7 | -33.5 | 175.5 | -68.9 | -21.1 | 0 | 0 | 0 | 112.3 | R220 N221 E222 S228 | R220-N224 VanDerWaalsContact O-CG 3.29Å; R220-N224 PolarHBondContact O-N 2.97Å; R220-N224 PolarHBondContact O-ND2 3.28Å; N221-N224 PolarHBondContact O-N 2.93Å; E222-N224 VanDerWaalsContact C-N 3.28Å; E222-N224 PolarHBondContact O-N 3.43Å; N224-S228 PolarHBondContact O-N 3Å; N224-S228 PolarHBondContact O-OG 3.15Å; N224-S228 VanDerWaalsContact O-OG 3.05Å |
| 225 | Q | 84.6 | Confident | 74.3 | Confident | 107 Ų | 107 | 83.8 Ų | 83.8 | 50% | 0.5 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -70.6 | -39.5 | 175.4 | -76.4 | 167.5 | 85.7 | 0 | 0 | 112.4 | N221 E222 K227 S228 R229 | N221-Q225 WeakPolarHBondContact O-CG 3.35Å; N221-Q225 PolarHBondContact O-N 3.46Å; N221-Q225 VanDerWaalsContact O-N 3.08Å; N221-Q225 PolarHBondContact O-NE2 2.8Å; E222-Q225 WeakPolarHBondContact O-CB 3.48Å; E222-Q225 PolarHBondContact O-N 2.86Å; E222-Q225 VanDerWaalsContact O-N 3.11Å; Q225-K227 VanDerWaalsContact C-N 3.32Å; Q225-K227 PolarHBondContact O-N 3.49Å; Q225-S228 WeakPolarHBondContact CA-OG 3.28Å; Q225-S228 PolarHBondContact O-N 3.38Å; Q225-S228 PolarHBondContact O-OG 2.99Å; Q225-S228 VanDerWaalsContact O-OG 3.07Å; Q225-R229 PolarHBondContact O-N 2.84Å |
| 226 | T | 81.1 | Confident | 72 | Confident | 70 Ų | 70 | 89 Ų | 89 | 43% | 0.429 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.3 | -33 | 177.1 | 57.2 | 0 | 0 | 0 | 0 | 112.2 | E222 M223 L266 | E222-T226 PolarHBondContact O-N 3.22Å; M223-T226 PolarHBondContact O-OG1 3.37Å; T226-L266 HydrophobicContact CG2-CD2 4.33Å |
| 227 | K | 78.6 | Confident | 69.9 | Low | 129 Ų | 129 | 92 Ų | 92 | 56% | 0.561 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -70 | -36.9 | 175.2 | -72.8 | 175.3 | -176.6 | 177.6 | 0 | 113.7 | M223 Q225 | M223-K227 WeakPolarHBondContact O-CG 3.48Å; M223-K227 PolarHBondContact O-N 2.97Å; Q225-K227 VanDerWaalsContact C-N 3.32Å; Q225-K227 PolarHBondContact O-N 3.49Å |
| 228 | S | 73.8 | Confident | 67.6 | Low | 94 Ų | 94 | 100.1 Ų | 100.1 | 66% | 0.657 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -78.5 | -18.2 | -177.6 | 49.6 | 0 | 0 | 0 | 0 | 114.3 | N224 Q225 K230 | N224-S228 PolarHBondContact O-N 3Å; N224-S228 PolarHBondContact O-OG 3.15Å; N224-S228 VanDerWaalsContact O-OG 3.05Å; Q225-S228 WeakPolarHBondContact CA-OG 3.28Å; Q225-S228 PolarHBondContact O-N 3.38Å; Q225-S228 PolarHBondContact O-OG 2.99Å; Q225-S228 VanDerWaalsContact O-OG 3.07Å; S228-K230 VanDerWaalsContact C-N 3.3Å; S228-K230 PolarHBondContact O-N 3.11Å |
| 229 | R | 64.6 | Low | 65.4 | Low | 225 Ų | 225 | 105.7 Ų | 105.7 | 85% | 0.849 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | 7.8 | -177.4 | -158 | 172.3 | 172.5 | 172.6 | -2.3 | 114.9 | Q225 | Q225-R229 PolarHBondContact O-N 2.84Š|
| 230 | K | 51.5 | Low | 63.4 | Low | 176 Ų | 176 | 111.3 Ų | 111.3 | 77% | 0.765 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -68.8 | 135.9 | 175.2 | -75.2 | -175.2 | 176.7 | -179.8 | 0 | 110.8 | S228 | S228-K230 VanDerWaalsContact C-N 3.3Å; S228-K230 PolarHBondContact O-N 3.11Å |
| 231 | P | 49.1 | Very low | 61 | Low | 116 Ų | 116 | 114.9 Ų | 114.9 | 75% | 0.753 | 62% | 0.621 | S | S | * | * | trans | -84.2 | 138.9 | -147.3 | 28.6 | -27.5 | 0 | 0 | 0 | 114.2 | V233 | P231-V233 PolarHBondContact O-N 3.44Š| ||
| 232 | N | 41.5 | Very low | 58.9 | Low | 124 Ų | 124 | 119.8 Ų | 119.8 | 66% | 0.663 | 65% | 0.654 | S | S | * | * | trans | -49.7 | 112.7 | 163.8 | -171.3 | 21.7 | 0 | 0 | 0 | 111.3 | N234 | N232-N234 PolarHBondContact ND2-OD1 2.92Å; N232-N234 PolarHBondContact O-N 3.39Å; N232-N234 PolarHBondContact OD1-OD1 2.89Å | ||
| 233 | V | 46 | Very low | 56.9 | Low | 126 Ų | 126 | 123.2 Ų | 123.2 | 76% | 0.764 | 68% | 0.679 | S | S | * | * | trans | -79.1 | 90.3 | 163.3 | 177.9 | 0 | 0 | 0 | 0 | 106.4 | P231 N235 | P231-V233 PolarHBondContact O-N 3.44Å; V233-N235 PolarHBondContact O-N 3.27Å | ||
| 234 | N | 42.7 | Very low | 54.9 | Low | 132 Ų | 132 | 129 Ų | 129 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | trans | -72.3 | 113.9 | 170.4 | -97.4 | -3.2 | 0 | 0 | 0 | 109.3 | N232 | N232-N234 PolarHBondContact ND2-OD1 2.92Å; N232-N234 PolarHBondContact O-N 3.39Å; N232-N234 PolarHBondContact OD1-OD1 2.89Å | ||
| 235 | N | 37.2 | Very low | 52.9 | Low | 132 Ų | 132 | 130.8 Ų | 130.8 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | trans | -63.8 | 150.6 | 156 | -68.2 | -37.6 | 0 | 0 | 0 | 109.9 | V233 | V233-N235 PolarHBondContact O-N 3.27Š| ||
| 236 | N | 46.1 | Very low | 50.8 | Low | 160 Ų | 160 | 131.5 Ų | 131.5 | 86% | 0.856 | 74% | 0.74 | S | S | * | * | trans | 101.3 | 103.2 | 171.2 | -54.6 | -10.7 | 0 | 0 | 0 | 115.9 | ||||
| 237 | S | 49.1 | Very low | 49 | Very low | 110 Ų | 110 | 138 Ų | 138 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | -176.7 | 101.5 | 112.9 | 67 | 0 | 0 | 0 | 0 | 111.2 | T239 | S237-T239 PolarHBondContact O-N 2.93Š| |||
| 238 | D | 46.6 | Very low | 47.4 | Very low | 170 Ų | 170 | 138.8 Ų | 138.8 | 91% | 0.909 | 77% | 0.765 | S | S | * | * | trans | -81.2 | 98.7 | 150.5 | -82.1 | -35 | 0 | 0 | 0 | 107.3 | ||||
| 239 | T | 47.4 | Very low | 45.4 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | trans | -152.9 | 98.6 | 150.3 | -39.7 | 0 | 0 | 0 | 0 | 110.1 | S237 | S237-T239 PolarHBondContact O-N 2.93Š| ||
| 240 | V | 50.6 | Low | 44.3 | Very low | 131 Ų | 131 | 136.6 Ų | 136.6 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | -0.5 | 110.6 | 152.6 | -171.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 241 | T | 40.1 | Very low | 43.6 | Very low | 124 Ų | 124 | 133 Ų | 133 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | 175.5 | 129.5 | 126 | 17.9 | 0 | 0 | 0 | 0 | 110 | |||||
| 242 | P | 44.3 | Very low | 43.1 | Very low | 127 Ų | 127 | 131.2 Ų | 131.2 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | trans | -92 | 117.3 | 173.3 | 33 | -24.7 | 0 | 0 | 0 | 109.4 | ||||
| 243 | T | 46.5 | Very low | 43.3 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | trans | -136.1 | 107.5 | 161.2 | -54 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 244 | T | 44.7 | Very low | 43.3 | Very low | 127 Ų | 127 | 129.5 Ų | 129.5 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | trans | 43.1 | 83.7 | 151.1 | -42.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 245 | T | 45.3 | Very low | 43.6 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 73% | 0.73 | 76% | 0.757 | S | S | * | * | trans | -100 | 106.2 | 156.7 | -63.7 | 0 | 0 | 0 | 0 | 108.6 | R247 | T245-R247 HydrophobicContact CG2-CB 4.06Å; T245-R247 PolarHBondContact O-N 3.1Å | ||
| 246 | T | 39.8 | Very low | 44 | Very low | 121 Ų | 121 | 127.9 Ų | 127.9 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | trans | -67 | 85.4 | 158.9 | -56.4 | 0 | 0 | 0 | 0 | 107.7 | I248 | T246-I248 HydrophobicContact CG2-CG1 4.23Å; T246-I248 PolarHBondContact O-N 2.88Å | ||
| 247 | R | 43.5 | Very low | 44 | Very low | 207 Ų | 207 | 123 Ų | 123 | 78% | 0.781 | 73% | 0.73 | S | S | * | * | trans | -84.6 | 90.7 | 170.7 | -152.6 | -177.7 | -149 | 174 | 6.1 | 106.9 | T245 T249 | T245-R247 HydrophobicContact CG2-CB 4.06Å; T245-R247 PolarHBondContact O-N 3.1Å; R247-T249 VanDerWaalsContact C-N 3.26Å; R247-T249 PolarHBondContact O-N 3.22Å; R247-T249 PolarHBondContact O-OG1 2.86Å; R247-T249 VanDerWaalsContact O-OG1 3.12Å | ||
| 248 | I | 44.7 | Very low | 44.2 | Very low | 145 Ų | 145 | 122.3 Ų | 122.3 | 74% | 0.744 | 72% | 0.718 | S | S | * | * | trans | -64 | 101.9 | 162 | -64.2 | 177.6 | 0 | 0 | 0 | 105.8 | T246 M250 | T246-I248 HydrophobicContact CG2-CG1 4.23Å; T246-I248 PolarHBondContact O-N 2.88Å; I248-M250 HydrophobicContact CG2-CB 4.38Å; I248-M250 HydrophobicContact CG2-CG 3.92Å | ||
| 249 | T | 33 | Very low | 44.8 | Very low | 112 Ų | 112 | 117.7 Ų | 117.7 | 69% | 0.687 | 70% | 0.699 | S | S | * | * | trans | -90.3 | 98.9 | 174.7 | -47.3 | 0 | 0 | 0 | 0 | 104.7 | R247 | R247-T249 VanDerWaalsContact C-N 3.26Å; R247-T249 PolarHBondContact O-N 3.22Å; R247-T249 PolarHBondContact O-OG1 2.86Å; R247-T249 VanDerWaalsContact O-OG1 3.12Å | ||
| 250 | M | 41 | Very low | 45.6 | Very low | 162 Ų | 162 | 117.3 Ų | 117.3 | 80% | 0.798 | 69% | 0.69 | S | S | * | * | trans | -133.7 | 115.6 | 171.1 | -78.9 | -72.7 | 167.8 | 0 | 0 | 107.8 | I248 | I248-M250 HydrophobicContact CG2-CB 4.38Å; I248-M250 HydrophobicContact CG2-CG 3.92Å | ||
| 251 | S | 35.8 | Very low | 46.2 | Very low | 101 Ų | 101 | 117 Ų | 117 | 71% | 0.706 | 68% | 0.68 | S | S | * | * | trans | 63.9 | 76.9 | 168.5 | -67.7 | 0 | 0 | 0 | 0 | 118.5 | N253 | S251-N253 VanDerWaalsContact C-N 3.32Å; S251-N253 PolarHBondContact O-N 3.26Å | ||
| 252 | G | 38.7 | Very low | 47.8 | Very low | 78 Ų | 78 | 116.3 Ų | 116.3 | 80% | 0.804 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | 9.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 253 | N | 45.8 | Very low | 49.3 | Very low | 149 Ų | 149 | 112.9 Ų | 112.9 | 80% | 0.797 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.1 | -8.8 | -177.9 | -85.9 | 38.4 | 0 | 0 | 0 | 115.9 | S251 | S251-N253 VanDerWaalsContact C-N 3.32Å; S251-N253 PolarHBondContact O-N 3.26Å |
| 254 | S | 47.3 | Very low | 51 | Low | 65 Ų | 65 | 113.3 Ų | 113.3 | 46% | 0.455 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -83.5 | -27.4 | 179.2 | 86.2 | 0 | 0 | 0 | 0 | 113.4 | A256 A257 D258 | S254-A256 VanDerWaalsContact C-N 3.29Å; S254-A256 PolarHBondContact O-N 3.38Å; S254-A257 PolarHBondContact O-N 3.35Å; S254-A257 VanDerWaalsContact O-N 3.08Å; S254-D258 PolarHBondContact O-N 2.89Å |
| 255 | F | 47.8 | Very low | 53 | Low | 167 Ų | 167 | 111 Ų | 111 | 73% | 0.732 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66.1 | -30.9 | -175 | -157.4 | -94.9 | 0 | 0 | 0 | 113.2 | S259 | F255-S259 WeakPolarHBondContact O-CB 3.38Å; F255-S259 PolarHBondContact O-N 3.48Å |
| 256 | A | 46.1 | Very low | 55 | Low | 63 Ų | 63 | 105.8 Ų | 105.8 | 52% | 0.521 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -70.1 | -38.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S254 I260 | S254-A256 VanDerWaalsContact C-N 3.29Å; S254-A256 PolarHBondContact O-N 3.38Å; A256-I260 WeakPolarHBondContact O-CB 3.4Å; A256-I260 VanDerWaalsContact O-CD1 3.27Å; A256-I260 WeakPolarHBondContact O-CD1 3.34Å; A256-I260 WeakPolarHBondContact O-CG1 3.37Å; A256-I260 PolarHBondContact O-N 2.97Å; A256-I260 VanDerWaalsContact O-N 3.09Å |
| 257 | A | 45.5 | Very low | 57.4 | Low | 57 Ų | 57 | 103.2 Ų | 103.2 | 47% | 0.471 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.3 | -43.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S254 I260 H261 | S254-A257 PolarHBondContact O-N 3.35Å; S254-A257 VanDerWaalsContact O-N 3.08Å; A257-I260 PolarHBondContact O-N 3.27Å; A257-H261 WeakPolarHBondContact O-CB 3.41Å; A257-H261 PolarHBondContact O-N 3.46Å |
| 258 | D | 54.5 | Low | 59.7 | Low | 96 Ų | 96 | 96.1 Ų | 96.1 | 51% | 0.513 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.8 | -42.7 | 177.7 | -70.8 | -24.7 | 0 | 0 | 0 | 111.7 | S254 I260 H261 D262 | S254-D258 PolarHBondContact O-N 2.89Å; D258-I260 VanDerWaalsContact C-N 3.31Å; D258-I260 PolarHBondContact O-N 3.14Å; D258-H261 PolarHBondContact O-N 3.35Å; D258-D262 PolarHBondContact O-N 2.63Å |
| 259 | S | 59.6 | Low | 61.9 | Low | 73 Ų | 73 | 91.6 Ų | 91.6 | 51% | 0.51 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.3 | -32.9 | 176.3 | -178.4 | 0 | 0 | 0 | 0 | 113.1 | F255 S263 | F255-S259 WeakPolarHBondContact O-CB 3.38Å; F255-S259 PolarHBondContact O-N 3.48Å; S259-S263 WeakPolarHBondContact O-CB 3.45Å; S259-S263 PolarHBondContact O-N 3.47Å |
| 260 | I | 63.5 | Low | 64.7 | Low | 118 Ų | 118 | 87.2 Ų | 87.2 | 61% | 0.605 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -72.7 | -41.4 | 175.7 | -69.2 | 164.6 | 0 | 0 | 0 | 110 | A256 A257 D258 S263 H264 | A256-I260 WeakPolarHBondContact O-CB 3.4Å; A256-I260 VanDerWaalsContact O-CD1 3.27Å; A256-I260 WeakPolarHBondContact O-CD1 3.34Å; A256-I260 WeakPolarHBondContact O-CG1 3.37Å; A256-I260 PolarHBondContact O-N 2.97Å; A256-I260 VanDerWaalsContact O-N 3.09Å; A257-I260 PolarHBondContact O-N 3.27Å; D258-I260 VanDerWaalsContact C-N 3.31Å; D258-I260 PolarHBondContact O-N 3.14Å; I260-S263 PolarHBondContact O-N 3.07Å; I260-H264 WeakPolarHBondContact O-CB 3.48Å; I260-H264 PolarHBondContact O-N 3.08Å |
| 261 | H | 63 | Low | 67.3 | Low | 125 Ų | 125 | 83.6 Ų | 83.6 | 58% | 0.579 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62 | -45.5 | 177.9 | -170.2 | 73.8 | 0 | 0 | 0 | 111.9 | A257 D258 S263 H264 N265 | A257-H261 WeakPolarHBondContact O-CB 3.41Å; A257-H261 PolarHBondContact O-N 3.46Å; D258-H261 PolarHBondContact O-N 3.35Å; H261-S263 PolarHBondContact O-N 3.09Å; H261-H264 PolarHBondContact O-N 3.35Å; H261-N265 WeakPolarHBondContact O-CB 3.28Å; H261-N265 PolarHBondContact O-N 3.44Å |
| 262 | D | 72.7 | Confident | 70.1 | Confident | 109 Ų | 109 | 81.5 Ų | 81.5 | 58% | 0.583 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.2 | -41.1 | 177 | -76.4 | -15.8 | 0 | 0 | 0 | 112.2 | D258 N265 L266 | D258-D262 PolarHBondContact O-N 2.63Å; D262-N265 PolarHBondContact O-N 2.92Å; D262-L266 WeakPolarHBondContact O-CB 3.47Å; D262-L266 PolarHBondContact O-N 3.24Å |
| 263 | S | 77.4 | Confident | 72.7 | Confident | 56 Ų | 56 | 78.2 Ų | 78.2 | 39% | 0.392 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66.8 | -39.3 | 177.3 | -171.2 | 0 | 0 | 0 | 0 | 112.1 | S259 I260 H261 Q267 | S259-S263 WeakPolarHBondContact O-CB 3.45Å; S259-S263 PolarHBondContact O-N 3.47Å; I260-S263 PolarHBondContact O-N 3.07Å; H261-S263 PolarHBondContact O-N 3.09Å; S263-Q267 PolarHBondContact O-N 3.39Å |
| 264 | H | 81.2 | Confident | 75.1 | Confident | 129 Ų | 129 | 73.5 Ų | 73.5 | 60% | 0.597 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -67.6 | -44 | 176.3 | -176.3 | -85.7 | 0 | 0 | 0 | 111.1 | I260 H261 L266 Q267 S268 | I260-H264 WeakPolarHBondContact O-CB 3.48Å; I260-H264 PolarHBondContact O-N 3.08Å; H261-H264 PolarHBondContact O-N 3.35Å; H264-L266 VanDerWaalsContact C-N 3.33Å; H264-L266 PolarHBondContact O-N 3.39Å; H264-Q267 PolarHBondContact O-N 2.91Å; H264-S268 PolarHBondContact O-N 3.2Å; H264-S268 PolarHBondContact O-OG 2.71Å |
| 265 | N | 86.8 | Confident | 77.4 | Confident | 79 Ų | 79 | 76.1 Ų | 76.1 | 42% | 0.422 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -58.7 | -44.7 | 175.7 | -174.5 | -86.9 | 0 | 0 | 0 | 111.9 | H261 D262 Q267 S268 R269 | H261-N265 WeakPolarHBondContact O-CB 3.28Å; H261-N265 PolarHBondContact O-N 3.44Å; D262-N265 PolarHBondContact O-N 2.92Å; N265-Q267 VanDerWaalsContact C-N 3.34Å; N265-Q267 PolarHBondContact O-N 3.38Å; N265-S268 PolarHBondContact O-N 3.33Å; N265-R269 WeakPolarHBondContact O-CG 3.27Å; N265-R269 PolarHBondContact O-N 3.04Å; N265-R269 VanDerWaalsContact OD1-CD 3.3Å; N265-R269 WeakPolarHBondContact OD1-CD 3.35Å |
| 266 | L | 86.7 | Confident | 79.7 | Confident | 10 Ų | 10 | 75 Ų | 75 | 5% | 0.052 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64.7 | -38 | 178 | -173.1 | 64.1 | 0 | 0 | 0 | 112.1 | Y219 E222 M223 T226 D262 H264 R269 L270 | Y219-L266 HydrophobicContact CD1-CD1 4.29Å; E222-L266 HydrophobicContact CB-CD1 4.37Å; E222-L266 HydrophobicContact CB-CD2 4.22Å; E222-L266 HydrophobicContact CG-CD1 4.11Å; E222-L266 HydrophobicContact CG-CD2 3.77Å; E222-L266 WeakPolarHBondContact OE2-CD1 3.47Å; M223-L266 HydrophobicContact CB-CD2 4.14Å; M223-L266 HydrophobicContact CE-CB 3.93Å; M223-L266 HydrophobicContact CE-CD2 3.94Å; M223-L266 HydrophobicContact CE-CG 3.8Å; M223-L266 HydrophobicContact SD-CD2 4.29Å; T226-L266 HydrophobicContact CG2-CD2 4.33Å; D262-L266 WeakPolarHBondContact O-CB 3.47Å; D262-L266 PolarHBondContact O-N 3.24Å; H264-L266 VanDerWaalsContact C-N 3.33Å; H264-L266 PolarHBondContact O-N 3.39Å; L266-R269 PolarHBondContact O-N 3.14Å; L266-L270 WeakPolarHBondContact O-CB 3.49Å; L266-L270 PolarHBondContact O-N 3.28Å |
| 267 | Q | 90.8 | Very high | 82.1 | Confident | 67 Ų | 67 | 73.1 Ų | 73.1 | 31% | 0.313 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.9 | -47.9 | 175.6 | -174.5 | 59.8 | 55.8 | 0 | 0 | 111.2 | M223 S263 H264 N265 R269 L270 D271 | M223-Q267 HydrophobicContact CE-CB 3.77Å; S263-Q267 PolarHBondContact O-N 3.39Å; H264-Q267 PolarHBondContact O-N 2.91Å; N265-Q267 VanDerWaalsContact C-N 3.34Å; N265-Q267 PolarHBondContact O-N 3.38Å; Q267-R269 VanDerWaalsContact C-N 3.27Å; Q267-R269 PolarHBondContact O-N 2.92Å; Q267-L270 WeakPolarHBondContact O-CB 3.47Å; Q267-L270 PolarHBondContact O-N 2.84Å; Q267-L270 VanDerWaalsContact O-N 3.09Å; Q267-D271 PolarHBondContact NE2-OD1 3.3Å; Q267-D271 PolarHBondContact NE2-OD2 2.91Å; Q267-D271 VanDerWaalsContact O-CG 3.29Å; Q267-D271 PolarHBondContact O-N 3.37Å |
| 268 | S | 91.4 | Very high | 84.5 | Confident | 58 Ų | 58 | 72.6 Ų | 72.6 | 41% | 0.406 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.3 | -37.3 | 176.4 | -56.4 | 0 | 0 | 0 | 0 | 112.6 | H264 N265 D271 A272 | H264-S268 PolarHBondContact O-N 3.2Å; H264-S268 PolarHBondContact O-OG 2.71Å; N265-S268 PolarHBondContact O-N 3.33Å; S268-D271 PolarHBondContact O-N 2.73Å; S268-A272 WeakPolarHBondContact O-CB 3.47Å; S268-A272 PolarHBondContact O-N 2.68Å |
| 269 | R | 91.2 | Very high | 86.5 | Confident | 50 Ų | 50 | 73.4 Ų | 73.4 | 19% | 0.189 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67.6 | -38.9 | 175.1 | -71.8 | 172.4 | 67.6 | 171.8 | 8.1 | 112.6 | H79 T83 Y219 N265 L266 Q267 A273 | H79-R269 PolarHBondContact CE1-NH2 2.93Å; T83-R269 PolarHBondContact OG1-NH2 3.32Å; Y219-R269 HydrophobicContact CD2-CB 4.49Å; Y219-R269 HydrophobicContact CE2-CB 4.43Å; Y219-R269 PolarHBondContact OH-NH2 3.24Å; N265-R269 WeakPolarHBondContact O-CG 3.27Å; N265-R269 PolarHBondContact O-N 3.04Å; N265-R269 VanDerWaalsContact OD1-CD 3.3Å; N265-R269 WeakPolarHBondContact OD1-CD 3.35Å; L266-R269 PolarHBondContact O-N 3.14Å; Q267-R269 VanDerWaalsContact C-N 3.27Å; Q267-R269 PolarHBondContact O-N 2.92Å; R269-A273 VanDerWaalsContact O-CB 3.32Å; R269-A273 WeakPolarHBondContact O-CB 3.49Å; R269-A273 PolarHBondContact O-N 3.39Å |
| 270 | L | 92.9 | Very high | 88.3 | Confident | 19 Ų | 19 | 71.6 Ų | 71.6 | 10% | 0.099 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 175.5 | 179.5 | 62.6 | 0 | 0 | 0 | 110.9 | Y216 R220 M223 L266 Q267 A273 C274 | Y216-L270 HydrophobicContact CD2-CD1 3.69Å; Y216-L270 HydrophobicContact CE2-CD1 3.57Å; Y216-L270 HydrophobicContact CE2-CG 4.36Å; R220-L270 HydrophobicContact CB-CD1 4Å; M223-L270 HydrophobicContact CB-CD2 4.49Å; L266-L270 WeakPolarHBondContact O-CB 3.49Å; L266-L270 PolarHBondContact O-N 3.28Å; Q267-L270 WeakPolarHBondContact O-CB 3.47Å; Q267-L270 PolarHBondContact O-N 2.84Å; Q267-L270 VanDerWaalsContact O-N 3.09Å; L270-A273 PolarHBondContact O-N 2.95Å; L270-C274 VanDerWaalsContact O-CB 3.3Å; L270-C274 WeakPolarHBondContact O-CB 3.5Å; L270-C274 PolarHBondContact O-N 2.94Å |
| 271 | D | 94.1 | Very high | 89.9 | Confident | 87 Ų | 87 | 70.1 Ų | 70.1 | 47% | 0.465 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 178.6 | -63.6 | -26.4 | 0 | 0 | 0 | 110.9 | Q267 S268 A273 C274 E275 | Q267-D271 PolarHBondContact NE2-OD1 3.3Å; Q267-D271 PolarHBondContact NE2-OD2 2.91Å; Q267-D271 VanDerWaalsContact O-CG 3.29Å; Q267-D271 PolarHBondContact O-N 3.37Å; S268-D271 PolarHBondContact O-N 2.73Å; D271-A273 PolarHBondContact O-N 3.35Å; D271-C274 WeakPolarHBondContact O-CB 3.44Å; D271-C274 PolarHBondContact O-N 3.43Å; D271-E275 PolarHBondContact O-N 3.43Å |
| 272 | A | 94.8 | Very high | 91.5 | Very high | 57 Ų | 57 | 70.8 Ų | 70.8 | 47% | 0.471 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | S268 R276 | S268-A272 WeakPolarHBondContact O-CB 3.47Å; S268-A272 PolarHBondContact O-N 2.68Å; A272-R276 WeakPolarHBondContact O-CB 3.38Å; A272-R276 PolarHBondContact O-N 3.39Å |
| 273 | A | 93.9 | Very high | 92.7 | Very high | 8 Ų | 8 | 67.5 Ų | 67.5 | 7% | 0.066 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.2 | -38.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y216 Y219 R269 L270 D271 R276 Y277 | Y216-A273 HydrophobicContact CD2-CB 4.48Å; Y219-A273 HydrophobicContact CD2-CB 3.72Å; Y219-A273 HydrophobicContact CE2-CB 4.09Å; R269-A273 VanDerWaalsContact O-CB 3.32Å; R269-A273 WeakPolarHBondContact O-CB 3.49Å; R269-A273 PolarHBondContact O-N 3.39Å; L270-A273 PolarHBondContact O-N 2.95Å; D271-A273 PolarHBondContact O-N 3.35Å; A273-R276 PolarHBondContact O-N 3.38Å; A273-Y277 WeakPolarHBondContact O-CB 3.37Å; A273-Y277 PolarHBondContact O-N 3.42Å |
| 274 | C | 95.1 | Very high | 93.6 | Very high | 51 Ų | 51 | 64.8 Ų | 64.8 | 35% | 0.345 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.9 | -48.4 | 175 | -173.8 | 0 | 0 | 0 | 0 | 111 | Y216 L270 D271 Y277 S278 | Y216-C274 HydrophobicContact CD2-CB 3.84Å; Y216-C274 HydrophobicContact CE2-CB 3.65Å; L270-C274 VanDerWaalsContact O-CB 3.3Å; L270-C274 WeakPolarHBondContact O-CB 3.5Å; L270-C274 PolarHBondContact O-N 2.94Å; D271-C274 WeakPolarHBondContact O-CB 3.44Å; D271-C274 PolarHBondContact O-N 3.43Å; C274-Y277 PolarHBondContact O-N 3.01Å; C274-S278 WeakPolarHBondContact O-CB 3.44Å; C274-S278 PolarHBondContact O-N 2.67Å |
| 275 | E | 96.6 | Very high | 94.4 | Very high | 119 Ų | 119 | 60.6 Ų | 60.6 | 56% | 0.556 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -60.7 | -48.2 | 177.3 | -175 | 178.3 | -174.9 | 0 | 0 | 111.1 | D271 Y277 S278 Q279 | D271-E275 PolarHBondContact O-N 3.43Å; E275-Y277 PolarHBondContact O-N 3.33Å; E275-S278 WeakPolarHBondContact O-CB 3.18Å; E275-S278 PolarHBondContact O-N 2.63Å; E275-S278 VanDerWaalsContact O-N 3.16Å; E275-Q279 HydrophobicContact CG-CG 4.36Å; E275-Q279 WeakPolarHBondContact O-CG 3.12Å; E275-Q279 PolarHBondContact O-N 2.69Å; E275-Q279 PolarHBondContact OE1-NE2 2.85Å |
| 276 | R | 95.9 | Very high | 94.9 | Very high | 143 Ų | 143 | 59.4 Ų | 59.4 | 54% | 0.54 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.8 | -44.8 | 177.9 | -175.2 | 176.7 | -175.7 | 143.4 | 2.8 | 112.3 | A212 A272 A273 L280 | A212-R276 HydrophobicContact CB-CG 4.34Å; A272-R276 WeakPolarHBondContact O-CB 3.38Å; A272-R276 PolarHBondContact O-N 3.39Å; A273-R276 PolarHBondContact O-N 3.38Å; R276-L280 HydrophobicContact CG-CD1 4.04Å; R276-L280 WeakPolarHBondContact O-CB 3.38Å; R276-L280 WeakPolarHBondContact O-CG 3.25Å; R276-L280 PolarHBondContact O-N 3.42Å |
| 277 | Y | 96.3 | Very high | 95.4 | Very high | 24 Ų | 24 | 61.4 Ų | 61.4 | 9% | 0.094 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 175.3 | 169.6 | -112.2 | 0 | 0 | 0 | 111.3 | T102 M209 R213 A273 C274 E275 Q279 L280 R281 | T102-Y277 HydrophobicContact CG2-CE1 3.75Å; M209-Y277 HydrophobicContact CG-CD2 4.26Å; M209-Y277 HydrophobicContact CG-CE2 4.15Å; R213-Y277 HydrophobicContact CB-CD2 3.78Å; R213-Y277 HydrophobicContact CB-CE2 3.71Å; R213-Y277 HydrophobicContact CG-CD2 4.41Å; R213-Y277 HydrophobicContact CG-CE2 4Å; A273-Y277 WeakPolarHBondContact O-CB 3.37Å; A273-Y277 PolarHBondContact O-N 3.42Å; C274-Y277 PolarHBondContact O-N 3.01Å; E275-Y277 PolarHBondContact O-N 3.33Å; Y277-Q279 PolarHBondContact O-N 2.92Å; Y277-L280 PolarHBondContact O-N 3.15Å; Y277-R281 VanDerWaalsContact O-CB 3.28Å; Y277-R281 WeakPolarHBondContact O-CB 3.3Å; Y277-R281 PolarHBondContact O-N 3Å |
| 278 | S | 95.7 | Very high | 95.7 | Very high | 47 Ų | 47 | 58.9 Ų | 58.9 | 33% | 0.329 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62 | -42 | 178.8 | -173.9 | 0 | 0 | 0 | 0 | 112.8 | C274 E275 R281 K282 | C274-S278 WeakPolarHBondContact O-CB 3.44Å; C274-S278 PolarHBondContact O-N 2.67Å; E275-S278 WeakPolarHBondContact O-CB 3.18Å; E275-S278 PolarHBondContact O-N 2.63Å; E275-S278 VanDerWaalsContact O-N 3.16Å; S278-R281 PolarHBondContact O-N 3.21Å; S278-K282 WeakPolarHBondContact O-CG 3.4Å; S278-K282 PolarHBondContact O-N 3.09Å |
| 279 | Q | 97 | Very high | 96 | Very high | 112 Ų | 112 | 60.9 Ų | 60.9 | 52% | 0.523 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64 | -47.4 | 175.3 | -70.3 | 176.4 | 6.6 | 0 | 0 | 111.6 | E275 Y277 R281 K282 A283 | E275-Q279 HydrophobicContact CG-CG 4.36Å; E275-Q279 WeakPolarHBondContact O-CG 3.12Å; E275-Q279 PolarHBondContact O-N 2.69Å; E275-Q279 PolarHBondContact OE1-NE2 2.85Å; Y277-Q279 PolarHBondContact O-N 2.92Å; Q279-R281 VanDerWaalsContact C-N 3.33Å; Q279-R281 PolarHBondContact O-N 2.94Å; Q279-K282 PolarHBondContact O-N 2.94Å; Q279-A283 PolarHBondContact O-N 3.49Å |
| 280 | L | 97.1 | Very high | 96.2 | Very high | 35 Ų | 35 | 64.8 Ų | 64.8 | 18% | 0.183 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.5 | -35.9 | 178.1 | -78.1 | 165.6 | 0 | 0 | 0 | 112.4 | M209 A212 R276 Y277 A283 V284 | M209-L280 HydrophobicContact CB-CB 3.9Å; M209-L280 HydrophobicContact CG-CB 4.06Å; A212-L280 HydrophobicContact CB-CD1 3.62Å; R276-L280 HydrophobicContact CG-CD1 4.04Å; R276-L280 WeakPolarHBondContact O-CB 3.38Å; R276-L280 WeakPolarHBondContact O-CG 3.25Å; R276-L280 PolarHBondContact O-N 3.42Å; Y277-L280 PolarHBondContact O-N 3.15Å; L280-A283 WeakPolarHBondContact O-CB 3.48Å; L280-A283 PolarHBondContact O-N 3.09Å; L280-V284 WeakPolarHBondContact O-CG2 3.39Å; L280-V284 PolarHBondContact O-N 2.9Å |
| 281 | R | 96.6 | Very high | 96.4 | Very high | 87 Ų | 87 | 64.2 Ų | 64.2 | 33% | 0.328 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -57.5 | -48.7 | 173.6 | -177.8 | -175.8 | 168.4 | -119 | -3 | 111.2 | D104 L107 M209 Y277 S278 Q279 A283 V284 L285 | D104-R281 IonicContact OD2-CZ 3.09Å; D104-R281 IonicContact OD2-NE 3.5Å; D104-R281 PolarHBondContact OD2-NE 3.41Å; D104-R281 IonicContact OD2-NH2 2.68Å; D104-R281 PolarHBondContact OD2-NH2 3.35Å; L107-R281 HydrophobicContact CD2-CG 3.66Å; M209-R281 HydrophobicContact SD-CB 4.47Å; Y277-R281 VanDerWaalsContact O-CB 3.28Å; Y277-R281 WeakPolarHBondContact O-CB 3.3Å; Y277-R281 PolarHBondContact O-N 3Å; S278-R281 PolarHBondContact O-N 3.21Å; Q279-R281 VanDerWaalsContact C-N 3.33Å; Q279-R281 PolarHBondContact O-N 2.94Å; R281-A283 VanDerWaalsContact C-N 3.35Å; R281-A283 PolarHBondContact O-N 2.94Å; R281-V284 PolarHBondContact O-N 2.91Å; R281-L285 WeakPolarHBondContact O-CG 3.36Å; R281-L285 PolarHBondContact O-N 3.37Å; R281-L285 VanDerWaalsContact O-N 3.15Å |
| 282 | K | 96.7 | Very high | 96.5 | Very high | 140 Ų | 140 | 65 Ų | 65 | 61% | 0.609 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -61.5 | -42.7 | 175.1 | -68.3 | 176.3 | -176.8 | -179.6 | 0 | 111.8 | S278 Q279 V284 L285 C286 | S278-K282 WeakPolarHBondContact O-CG 3.4Å; S278-K282 PolarHBondContact O-N 3.09Å; Q279-K282 PolarHBondContact O-N 2.94Å; K282-V284 PolarHBondContact O-N 3.16Å; K282-L285 PolarHBondContact O-N 3.4Å; K282-C286 WeakPolarHBondContact O-CB 3.48Å; K282-C286 PolarHBondContact O-N 3.18Å; K282-C286 VanDerWaalsContact O-N 3.09Å |
| 283 | A | 97.5 | Very high | 96.6 | Very high | 39 Ų | 39 | 67.4 Ų | 67.4 | 32% | 0.322 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T205 Q279 L280 R281 C286 K287 | T205-A283 HydrophobicContact CG2-CB 4.15Å; Q279-A283 PolarHBondContact O-N 3.49Å; L280-A283 WeakPolarHBondContact O-CB 3.48Å; L280-A283 PolarHBondContact O-N 3.09Å; R281-A283 VanDerWaalsContact C-N 3.35Å; R281-A283 PolarHBondContact O-N 2.94Å; A283-C286 PolarHBondContact O-N 3.3Å; A283-K287 WeakPolarHBondContact O-CB 3.41Å; A283-K287 WeakPolarHBondContact O-CG 3.5Å; A283-K287 PolarHBondContact O-N 3.44Å |
| 284 | V | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.7 | -47.8 | 176.1 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | L107 I111 T205 V206 M209 L280 R281 K282 C286 K287 L288 | L107-V284 HydrophobicContact CD1-CG1 3.89Å; I111-V284 HydrophobicContact CD1-CG1 4.48Å; I111-V284 HydrophobicContact CG1-CG1 4.49Å; T205-V284 HydrophobicContact CG2-CG2 3.85Å; V206-V284 HydrophobicContact CG2-CG1 3.78Å; V206-V284 HydrophobicContact CG2-CG2 4.2Å; M209-V284 HydrophobicContact CB-CG2 3.77Å; M209-V284 HydrophobicContact CG-CG2 4.22Å; M209-V284 HydrophobicContact SD-CB 4.17Å; M209-V284 HydrophobicContact SD-CG1 4.49Å; M209-V284 HydrophobicContact SD-CG2 3.82Å; L280-V284 WeakPolarHBondContact O-CG2 3.39Å; L280-V284 PolarHBondContact O-N 2.9Å; R281-V284 PolarHBondContact O-N 2.91Å; K282-V284 PolarHBondContact O-N 3.16Å; V284-C286 VanDerWaalsContact C-N 3.3Å; V284-C286 PolarHBondContact O-N 3.47Å; V284-K287 PolarHBondContact O-N 2.83Å; V284-L288 HydrophobicContact CG1-CD1 3.8Å; V284-L288 HydrophobicContact CG1-CG 4.15Å; V284-L288 WeakPolarHBondContact O-CB 3.48Å; V284-L288 VanDerWaalsContact O-CG 3.27Å; V284-L288 WeakPolarHBondContact O-CG 3.47Å; V284-L288 PolarHBondContact O-N 3.34Å |
| 285 | L | 96.9 | Very high | 96.7 | Very high | 40 Ų | 40 | 69.7 Ų | 69.7 | 21% | 0.209 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -56 | -48 | 178.5 | -71.6 | 167.5 | 0 | 0 | 0 | 111.3 | L107 R110 R281 K282 L288 E289 | L107-L285 HydrophobicContact CD1-CD2 3.75Å; L107-L285 HydrophobicContact CD1-CG 4.18Å; R110-L285 PolarHBondContact NH2-O 3.02Å; R281-L285 WeakPolarHBondContact O-CG 3.36Å; R281-L285 PolarHBondContact O-N 3.37Å; R281-L285 VanDerWaalsContact O-N 3.15Å; K282-L285 PolarHBondContact O-N 3.4Å; L285-L288 PolarHBondContact O-N 3.38Å; L285-E289 PolarHBondContact O-N 3.49Å; L285-E289 VanDerWaalsContact O-N 3.14Å |
| 286 | C | 97.2 | Very high | 96.7 | Very high | 55 Ų | 55 | 68.2 Ų | 68.2 | 37% | 0.372 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.8 | -46.7 | 178 | -174.1 | 0 | 0 | 0 | 0 | 112.3 | K282 A283 V284 L288 E289 F290 | K282-C286 WeakPolarHBondContact O-CB 3.48Å; K282-C286 PolarHBondContact O-N 3.18Å; K282-C286 VanDerWaalsContact O-N 3.09Å; A283-C286 PolarHBondContact O-N 3.3Å; V284-C286 VanDerWaalsContact C-N 3.3Å; V284-C286 PolarHBondContact O-N 3.47Å; C286-L288 PolarHBondContact O-N 3.15Å; C286-E289 PolarHBondContact O-N 3Å; C286-F290 VanDerWaalsContact O-CD2 3.3Å; C286-F290 WeakPolarHBondContact O-CD2 3.24Å; C286-F290 PolarHBondContact O-N 2.99Å; C286-F290 VanDerWaalsContact SG-CD2 3.6Å; C286-F290 WeakPolarHBondContact SG-CE2 3.36Å |
| 287 | K | 97.1 | Very high | 96.8 | Very high | 51 Ų | 51 | 68.5 Ų | 68.5 | 22% | 0.222 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.2 | -37.9 | 176.8 | -77.2 | -157.2 | 178.9 | -165.1 | 0 | 113 | D201 T202 T205 A283 V284 E289 F290 L291 | D201-K287 PolarHBondContact O-NZ 3.45Å; D201-K287 IonicContact OD1-NZ 2.69Å; D201-K287 PolarHBondContact OD1-NZ 3.47Å; D201-K287 WeakPolarHBondContact OD2-CE 3.39Å; D201-K287 IonicContact OD2-NZ 3.77Å; D201-K287 PolarHBondContact OD2-NZ 3.21Å; T202-K287 HydrophobicContact CG2-CB 4.21Å; T205-K287 HydrophobicContact CG2-CD 4.14Å; T205-K287 VanDerWaalsContact OG1-CD 3.32Å; T205-K287 WeakPolarHBondContact OG1-CD 3.47Å; T205-K287 WeakPolarHBondContact OG1-CE 3.45Å; T205-K287 PolarHBondContact OG1-NZ 3.43Å; A283-K287 WeakPolarHBondContact O-CB 3.41Å; A283-K287 WeakPolarHBondContact O-CG 3.5Å; A283-K287 PolarHBondContact O-N 3.44Å; V284-K287 PolarHBondContact O-N 2.83Å; K287-E289 VanDerWaalsContact C-N 3.31Å; K287-E289 PolarHBondContact O-N 3.29Å; K287-F290 PolarHBondContact O-N 3.48Å; K287-L291 WeakPolarHBondContact O-CB 3.33Å; K287-L291 PolarHBondContact O-N 3.01Å |
| 288 | L | 97.9 | Very high | 96.8 | Very high | 14 Ų | 14 | 69.3 Ų | 69.3 | 7% | 0.073 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.7 | -39.7 | 176.2 | -71.9 | 173.7 | 0 | 0 | 0 | 111.5 | L107 R110 I111 F114 T202 V284 L285 C286 Q292 | L107-L288 HydrophobicContact CD1-CD1 4.28Å; R110-L288 HydrophobicContact CB-CD1 4.11Å; I111-L288 HydrophobicContact CG1-CD1 4.45Å; F114-L288 HydrophobicContact CB-CD2 3.78Å; F114-L288 HydrophobicContact CD1-CD2 3.96Å; F114-L288 HydrophobicContact CD2-CD2 3.97Å; F114-L288 HydrophobicContact CG-CD2 3.63Å; T202-L288 HydrophobicContact CG2-CD2 3.84Å; T202-L288 HydrophobicContact CG2-CG 4.44Å; V284-L288 HydrophobicContact CG1-CD1 3.8Å; V284-L288 HydrophobicContact CG1-CG 4.15Å; V284-L288 WeakPolarHBondContact O-CB 3.48Å; V284-L288 VanDerWaalsContact O-CG 3.27Å; V284-L288 WeakPolarHBondContact O-CG 3.47Å; V284-L288 PolarHBondContact O-N 3.34Å; L285-L288 PolarHBondContact O-N 3.38Å; C286-L288 PolarHBondContact O-N 3.15Å; L288-Q292 WeakPolarHBondContact O-CB 3.41Å; L288-Q292 PolarHBondContact O-N 2.93Å |
| 289 | E | 96.6 | Very high | 96.9 | Very high | 101 Ų | 101 | 67.6 Ų | 67.6 | 47% | 0.472 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.1 | -50 | 174.4 | -85.9 | 151.8 | -141.5 | 0 | 0 | 112.4 | R110 L285 C286 K287 L291 Q292 E293 | R110-E289 IonicContact CZ-OE1 3.72Å; R110-E289 IonicContact NH1-OE1 3.51Å; R110-E289 PolarHBondContact NH1-OE1 3.01Å; R110-E289 VanDerWaalsContact NH1-OE1 3.09Å; R110-E289 IonicContact NH2-OE1 4Å; R110-E289 PolarHBondContact NH2-OE1 2.86Å; L285-E289 PolarHBondContact O-N 3.49Å; L285-E289 VanDerWaalsContact O-N 3.14Å; C286-E289 PolarHBondContact O-N 3Å; K287-E289 VanDerWaalsContact C-N 3.31Å; K287-E289 PolarHBondContact O-N 3.29Å; E289-L291 VanDerWaalsContact C-N 3.33Å; E289-L291 PolarHBondContact O-N 2.87Å; E289-Q292 WeakPolarHBondContact O-CB 3.48Å; E289-Q292 PolarHBondContact O-N 3.41Å; E289-Q292 VanDerWaalsContact O-N 3.15Å; E289-E293 PolarHBondContact O-N 3.17Å |
| 290 | F | 96.4 | Very high | 96.9 | Very high | 131 Ų | 131 | 71.8 Ų | 71.8 | 58% | 0.575 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61.6 | -40.8 | 177.3 | -75.5 | -50.3 | 0 | 0 | 0 | 112.7 | C286 K287 Q292 E293 N294 | C286-F290 VanDerWaalsContact O-CD2 3.3Å; C286-F290 WeakPolarHBondContact O-CD2 3.24Å; C286-F290 PolarHBondContact O-N 2.99Å; C286-F290 VanDerWaalsContact SG-CD2 3.6Å; C286-F290 WeakPolarHBondContact SG-CE2 3.36Å; K287-F290 PolarHBondContact O-N 3.48Å; F290-Q292 VanDerWaalsContact C-N 3.33Å; F290-E293 PolarHBondContact O-N 3.23Å; F290-N294 VanDerWaalsContact O-CB 3.28Å; F290-N294 WeakPolarHBondContact O-CB 3.47Å; F290-N294 PolarHBondContact O-N 3.04Å |
| 291 | L | 96.9 | Very high | 96.9 | Very high | 8 Ų | 8 | 75.6 Ų | 75.6 | 4% | 0.042 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 175.3 | 179.2 | 68.2 | 0 | 0 | 0 | 110.8 | F114 M117 A198 F199 T202 K287 E289 E293 N294 R295 | F114-L291 HydrophobicContact CD2-CD2 3.78Å; F114-L291 HydrophobicContact CE2-CD2 3.28Å; F114-L291 HydrophobicContact CZ-CD2 4.26Å; M117-L291 HydrophobicContact CE-CD2 4.36Å; A198-L291 HydrophobicContact CB-CD1 3.7Å; F199-L291 HydrophobicContact CD1-CD2 4.17Å; F199-L291 HydrophobicContact CE1-CD2 4.32Å; F199-L291 HydrophobicContact CG-CD2 4.45Å; T202-L291 HydrophobicContact CG2-CD2 4.1Å; K287-L291 WeakPolarHBondContact O-CB 3.33Å; K287-L291 PolarHBondContact O-N 3.01Å; E289-L291 VanDerWaalsContact C-N 3.33Å; E289-L291 PolarHBondContact O-N 2.87Å; L291-E293 VanDerWaalsContact C-N 3.34Å; L291-E293 PolarHBondContact O-N 3.34Å; L291-N294 PolarHBondContact O-N 3.08Å; L291-R295 WeakPolarHBondContact O-CB 3.3Å; L291-R295 PolarHBondContact O-N 2.95Å |
| 292 | Q | 96.5 | Very high | 97 | Very high | 104 Ų | 104 | 72.2 Ų | 72.2 | 49% | 0.486 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.8 | -47.5 | 177.5 | 175 | 174.4 | -15.6 | 0 | 0 | 111 | L288 E289 F290 L296 | L288-Q292 WeakPolarHBondContact O-CB 3.41Å; L288-Q292 PolarHBondContact O-N 2.93Å; E289-Q292 WeakPolarHBondContact O-CB 3.48Å; E289-Q292 PolarHBondContact O-N 3.41Å; E289-Q292 VanDerWaalsContact O-N 3.15Å; F290-Q292 VanDerWaalsContact C-N 3.33Å; Q292-L296 HydrophobicContact CG-CD1 4.06Å; Q292-L296 WeakPolarHBondContact O-CB 3.32Å; Q292-L296 VanDerWaalsContact O-CG 3.22Å; Q292-L296 WeakPolarHBondContact O-CG 3.33Å; Q292-L296 PolarHBondContact O-N 3.23Å |
| 293 | E | 96 | Very high | 97 | Very high | 106 Ų | 106 | 69.6 Ų | 69.6 | 50% | 0.495 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.4 | -49.6 | 178.2 | -168.6 | -172.6 | 161.6 | 0 | 0 | 112 | E289 F290 L291 R295 L296 R297 | E289-E293 PolarHBondContact O-N 3.17Å; F290-E293 PolarHBondContact O-N 3.23Å; L291-E293 VanDerWaalsContact C-N 3.34Å; L291-E293 PolarHBondContact O-N 3.34Å; E293-R295 PolarHBondContact O-N 3.49Å; E293-L296 PolarHBondContact O-N 2.99Å; E293-R297 WeakPolarHBondContact O-CB 3.38Å; E293-R297 PolarHBondContact O-N 2.86Å; E293-R297 IonicContact OE1-CZ 3.78Å; E293-R297 IonicContact OE1-NH2 2.74Å; E293-R297 PolarHBondContact OE1-NH2 3.28Å |
| 294 | N | 95 | Very high | 97 | Very high | 63 Ų | 63 | 71 Ų | 71 | 34% | 0.337 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.7 | -50.8 | 178.3 | 176.8 | -75 | 0 | 0 | 0 | 111.3 | F290 L291 L296 R297 V298 | F290-N294 VanDerWaalsContact O-CB 3.28Å; F290-N294 WeakPolarHBondContact O-CB 3.47Å; F290-N294 PolarHBondContact O-N 3.04Å; L291-N294 PolarHBondContact O-N 3.08Å; N294-L296 PolarHBondContact O-N 3.45Å; N294-R297 WeakPolarHBondContact O-CB 3.28Å; N294-R297 PolarHBondContact O-N 3.44Å; N294-V298 WeakPolarHBondContact O-CG2 3.47Å; N294-V298 PolarHBondContact O-N 3.28Å |
| 295 | R | 97.1 | Very high | 97 | Very high | 44 Ų | 44 | 74.5 Ų | 74.5 | 17% | 0.166 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -57.1 | -49 | 178.9 | 178.1 | -166.6 | 71.5 | 119.6 | -4.6 | 111.3 | M117 Y121 L194 L291 E293 R297 V298 M299 | M117-R295 WeakPolarHBondContact SD-CD 3.33Å; M117-R295 PolarHBondContact SD-NE 3.5Å; M117-R295 PolarHBondContact SD-NH1 2.8Å; Y121-R295 HydrophobicContact CE1-CG 3.95Å; Y121-R295 WeakPolarHBondContact OH-CD 3.49Å; Y121-R295 WeakPolarHBondContact OH-CG 3.32Å; Y121-R295 PolarHBondContact OH-NH1 2.53Å; Y121-R295 VanDerWaalsContact OH-NH1 3.13Å; L194-R295 HydrophobicContact CD1-CB 4.43Å; L194-R295 HydrophobicContact CD2-CG 4.22Å; L291-R295 WeakPolarHBondContact O-CB 3.3Å; L291-R295 PolarHBondContact O-N 2.95Å; E293-R295 PolarHBondContact O-N 3.49Å; R295-R297 VanDerWaalsContact C-N 3.32Å; R295-R297 PolarHBondContact O-N 3.39Å; R295-V298 PolarHBondContact O-N 2.8Å; R295-M299 HydrophobicContact CG-CG 4.28Å; R295-M299 VanDerWaalsContact O-CB 3.26Å; R295-M299 WeakPolarHBondContact O-CB 3.49Å; R295-M299 VanDerWaalsContact O-CG 3.27Å; R295-M299 WeakPolarHBondContact O-CG 3.4Å; R295-M299 PolarHBondContact O-N 3.22Å |
| 296 | L | 97.4 | Very high | 96.9 | Very high | 89 Ų | 89 | 74.4 Ų | 74.4 | 47% | 0.466 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.8 | -41.9 | -179.7 | -74.2 | 174.7 | 0 | 0 | 0 | 111.3 | Q292 E293 N294 R300 | Q292-L296 HydrophobicContact CG-CD1 4.06Å; Q292-L296 WeakPolarHBondContact O-CB 3.32Å; Q292-L296 VanDerWaalsContact O-CG 3.22Å; Q292-L296 WeakPolarHBondContact O-CG 3.33Å; Q292-L296 PolarHBondContact O-N 3.23Å; E293-L296 PolarHBondContact O-N 2.99Å; N294-L296 PolarHBondContact O-N 3.45Å; L296-R300 WeakPolarHBondContact O-CB 3.35Å; L296-R300 PolarHBondContact O-N 2.91Å |
| 297 | R | 97 | Very high | 96.9 | Very high | 149 Ų | 149 | 77.7 Ų | 77.7 | 56% | 0.562 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.8 | -52.8 | 176.9 | -172 | -173.9 | -59.1 | 142.2 | 1.2 | 111.7 | E293 N294 R295 H301 | E293-R297 WeakPolarHBondContact O-CB 3.38Å; E293-R297 PolarHBondContact O-N 2.86Å; E293-R297 IonicContact OE1-CZ 3.78Å; E293-R297 IonicContact OE1-NH2 2.74Å; E293-R297 PolarHBondContact OE1-NH2 3.28Å; N294-R297 WeakPolarHBondContact O-CB 3.28Å; N294-R297 PolarHBondContact O-N 3.44Å; R295-R297 VanDerWaalsContact C-N 3.32Å; R295-R297 PolarHBondContact O-N 3.39Å; R297-H301 PolarHBondContact O-N 2.71Å |
| 298 | V | 96.3 | Very high | 96.8 | Very high | 40 Ų | 40 | 79.6 Ų | 79.6 | 24% | 0.242 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.1 | -50.9 | -179.2 | 172.6 | 0 | 0 | 0 | 0 | 110.5 | T190 N294 R295 R300 H301 Q302 | T190-V298 HydrophobicContact CG2-CG1 3.55Å; N294-V298 WeakPolarHBondContact O-CG2 3.47Å; N294-V298 PolarHBondContact O-N 3.28Å; R295-V298 PolarHBondContact O-N 2.8Å; V298-R300 PolarHBondContact O-N 3.32Å; V298-H301 PolarHBondContact O-N 3.23Å; V298-Q302 HydrophobicContact CG1-CG 4.21Å; V298-Q302 WeakPolarHBondContact O-CB 3.39Å; V298-Q302 VanDerWaalsContact O-CG 3.29Å; V298-Q302 WeakPolarHBondContact O-CG 3.33Å; V298-Q302 PolarHBondContact O-N 3.31Å |
| 299 | M | 97.2 | Very high | 96.7 | Very high | 12 Ų | 12 | 79.9 Ų | 79.9 | 6% | 0.059 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.4 | -39.5 | -174.9 | -70.3 | -57.4 | -60.4 | 0 | 0 | 113 | Y121 L124 F187 L191 L194 R295 H301 Q302 L303 | Y121-M299 HydrophobicContact CD1-SD 4.45Å; Y121-M299 HydrophobicContact CE1-CE 4.11Å; Y121-M299 HydrophobicContact CE1-CG 3.58Å; Y121-M299 HydrophobicContact CE1-SD 3.68Å; Y121-M299 WeakPolarHBondContact OH-CG 3.4Å; L124-M299 HydrophobicContact CD2-CE 4.16Å; F187-M299 HydrophobicContact CE2-CE 4.46Å; F187-M299 HydrophobicContact CZ-CE 4.49Å; L191-M299 HydrophobicContact CD2-CE 3.83Å; L191-M299 HydrophobicContact CD2-SD 3.57Å; L191-M299 VanDerWaalsContact CD2-SD 3.57Å; L194-M299 HydrophobicContact CD2-CG 4.09Å; L194-M299 HydrophobicContact CD2-SD 4Å; R295-M299 HydrophobicContact CG-CG 4.28Å; R295-M299 VanDerWaalsContact O-CB 3.26Å; R295-M299 WeakPolarHBondContact O-CB 3.49Å; R295-M299 VanDerWaalsContact O-CG 3.27Å; R295-M299 WeakPolarHBondContact O-CG 3.4Å; R295-M299 PolarHBondContact O-N 3.22Å; M299-H301 VanDerWaalsContact C-N 3.28Å; M299-H301 PolarHBondContact O-N 3.25Å; M299-Q302 PolarHBondContact O-N 2.97Å; M299-L303 HydrophobicContact CB-CD1 4.49Å; M299-L303 HydrophobicContact CE-CD1 4.23Å; M299-L303 HydrophobicContact CE-CD2 4.22Å; M299-L303 HydrophobicContact CE-CG 4.09Å; M299-L303 VanDerWaalsContact O-CB 3.23Å; M299-L303 WeakPolarHBondContact O-CB 3.29Å; M299-L303 WeakPolarHBondContact O-CG 3.49Å; M299-L303 PolarHBondContact O-N 2.95Å |
| 300 | R | 97.8 | Very high | 96.5 | Very high | 200 Ų | 200 | 77.4 Ų | 77.4 | 76% | 0.755 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -59.1 | -44.5 | 176.1 | -176.4 | -180 | 178.7 | 100.6 | 0.1 | 110.9 | L296 V298 V304 | L296-R300 WeakPolarHBondContact O-CB 3.35Å; L296-R300 PolarHBondContact O-N 2.91Å; V298-R300 PolarHBondContact O-N 3.32Å; R300-V304 VanDerWaalsContact O-CG2 3.25Å; R300-V304 WeakPolarHBondContact O-CG2 3.36Å; R300-V304 PolarHBondContact O-N 3.5Å |
| 301 | H | 97.5 | Very high | 96.4 | Very high | 114 Ų | 114 | 74.1 Ų | 74.1 | 53% | 0.528 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65 | -50.8 | 178.4 | -176.1 | 64.3 | 0 | 0 | 0 | 111.8 | R297 V298 M299 L303 V304 L305 | R297-H301 PolarHBondContact O-N 2.71Å; V298-H301 PolarHBondContact O-N 3.23Å; M299-H301 VanDerWaalsContact C-N 3.28Å; M299-H301 PolarHBondContact O-N 3.25Å; H301-L303 PolarHBondContact O-N 3.35Å; H301-V304 PolarHBondContact O-N 2.91Å; H301-L305 WeakPolarHBondContact NE2-CD1 3.5Å; H301-L305 PolarHBondContact O-N 3.07Å |
| 302 | Q | 97.1 | Very high | 96 | Very high | 16 Ų | 16 | 77.3 Ų | 77.3 | 8% | 0.075 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.1 | -38.5 | -176.5 | -71.6 | -62.9 | -22.7 | 0 | 0 | 113.3 | H186 F187 T190 V298 M299 L305 L306 | H186-Q302 PolarHBondContact NE2-NE2 3.46Å; F187-Q302 HydrophobicContact CD2-CB 3.96Å; F187-Q302 HydrophobicContact CE2-CB 4.1Å; T190-Q302 HydrophobicContact CG2-CG 3.62Å; T190-Q302 PolarHBondContact OG1-NE2 2.97Å; V298-Q302 HydrophobicContact CG1-CG 4.21Å; V298-Q302 WeakPolarHBondContact O-CB 3.39Å; V298-Q302 VanDerWaalsContact O-CG 3.29Å; V298-Q302 WeakPolarHBondContact O-CG 3.33Å; V298-Q302 PolarHBondContact O-N 3.31Å; M299-Q302 PolarHBondContact O-N 2.97Å; Q302-L305 PolarHBondContact O-N 2.68Å; Q302-L306 WeakPolarHBondContact O-CB 3.42Å; Q302-L306 PolarHBondContact O-N 3.21Å |
| 303 | L | 97.7 | Very high | 95.8 | Very high | 86 Ų | 86 | 74.5 Ų | 74.5 | 45% | 0.45 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.9 | -37.8 | 176.6 | -70.6 | 171.8 | 0 | 0 | 0 | 112 | F187 M299 H301 L306 Q307 | F187-L303 HydrophobicContact CE2-CD2 4.17Å; F187-L303 HydrophobicContact CZ-CD2 4.23Å; M299-L303 HydrophobicContact CB-CD1 4.49Å; M299-L303 HydrophobicContact CE-CD1 4.23Å; M299-L303 HydrophobicContact CE-CD2 4.22Å; M299-L303 HydrophobicContact CE-CG 4.09Å; M299-L303 VanDerWaalsContact O-CB 3.23Å; M299-L303 WeakPolarHBondContact O-CB 3.29Å; M299-L303 WeakPolarHBondContact O-CG 3.49Å; M299-L303 PolarHBondContact O-N 2.95Å; H301-L303 PolarHBondContact O-N 3.35Å; L303-L306 PolarHBondContact O-N 2.95Å; L303-Q307 WeakPolarHBondContact O-CB 3.41Å; L303-Q307 PolarHBondContact O-N 3.03Å |
| 304 | V | 97.8 | Very high | 95.4 | Very high | 69 Ų | 69 | 74.6 Ų | 74.6 | 42% | 0.418 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.3 | -44.2 | 174.8 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | R300 H301 L306 Q307 N308 | R300-V304 VanDerWaalsContact O-CG2 3.25Å; R300-V304 WeakPolarHBondContact O-CG2 3.36Å; R300-V304 PolarHBondContact O-N 3.5Å; H301-V304 PolarHBondContact O-N 2.91Å; V304-L306 PolarHBondContact O-N 3.38Å; V304-Q307 PolarHBondContact O-N 2.92Å; V304-N308 WeakPolarHBondContact O-CB 3.4Å; V304-N308 PolarHBondContact O-N 3.48Å; V304-N308 PolarHBondContact O-ND2 3.47Å |
| 305 | L | 97.1 | Very high | 94.8 | Very high | 73 Ų | 73 | 76.3 Ų | 76.3 | 38% | 0.382 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.7 | -45.1 | 176 | -70.8 | -179.3 | 0 | 0 | 0 | 111.9 | H301 Q302 N308 A309 | H301-L305 WeakPolarHBondContact NE2-CD1 3.5Å; H301-L305 PolarHBondContact O-N 3.07Å; Q302-L305 PolarHBondContact O-N 2.68Å; L305-N308 PolarHBondContact O-N 3.09Å; L305-A309 WeakPolarHBondContact O-CB 3.46Å; L305-A309 PolarHBondContact O-N 3.29Å |
| 306 | L | 96.1 | Very high | 93.2 | Very high | 38 Ų | 38 | 77 Ų | 77 | 20% | 0.199 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 177.2 | 179.2 | 63.1 | 0 | 0 | 0 | 111.5 | L184 F187 Q302 L303 V304 N308 A309 T310 | L184-L306 HydrophobicContact CD2-CD1 3.62Å; F187-L306 HydrophobicContact CD1-CD2 4.11Å; F187-L306 HydrophobicContact CD2-CB 4.41Å; F187-L306 HydrophobicContact CD2-CD2 4.23Å; F187-L306 HydrophobicContact CE1-CD2 3.98Å; F187-L306 HydrophobicContact CE2-CD2 4.13Å; F187-L306 HydrophobicContact CG-CD2 4.23Å; F187-L306 HydrophobicContact CZ-CD2 4Å; Q302-L306 WeakPolarHBondContact O-CB 3.42Å; Q302-L306 PolarHBondContact O-N 3.21Å; L303-L306 PolarHBondContact O-N 2.95Å; V304-L306 PolarHBondContact O-N 3.38Å; L306-N308 VanDerWaalsContact C-N 3.35Å; L306-N308 PolarHBondContact O-N 3.42Å; L306-A309 PolarHBondContact O-N 3.38Å; L306-T310 VanDerWaalsContact O-CB 3.28Å; L306-T310 WeakPolarHBondContact O-CB 3.41Å; L306-T310 PolarHBondContact O-N 2.84Å; L306-T310 PolarHBondContact O-OG1 2.98Å |
| 307 | Q | 95.9 | Very high | 91.8 | Very high | 123 Ų | 123 | 77.3 Ų | 77.3 | 58% | 0.575 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -60 | -45.1 | 176.5 | 177.9 | -178.2 | -8.7 | 0 | 0 | 111.4 | L303 V304 T310 S311 | L303-Q307 WeakPolarHBondContact O-CB 3.41Å; L303-Q307 PolarHBondContact O-N 3.03Å; V304-Q307 PolarHBondContact O-N 2.92Å; Q307-T310 PolarHBondContact O-N 3.25Å; Q307-S311 VanDerWaalsContact O-CB 3.28Å; Q307-S311 WeakPolarHBondContact O-CB 3.3Å; Q307-S311 PolarHBondContact O-N 2.99Å; Q307-S311 PolarHBondContact O-OG 3.07Å |
| 308 | N | 95.5 | Very high | 90.5 | Very high | 91 Ų | 91 | 75.3 Ų | 75.3 | 49% | 0.487 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.6 | -45.5 | -179.2 | -71.4 | -12.8 | 0 | 0 | 0 | 111.4 | V304 L305 L306 S311 A312 | V304-N308 WeakPolarHBondContact O-CB 3.4Å; V304-N308 PolarHBondContact O-N 3.48Å; V304-N308 PolarHBondContact O-ND2 3.47Å; L305-N308 PolarHBondContact O-N 3.09Å; L306-N308 VanDerWaalsContact C-N 3.35Å; L306-N308 PolarHBondContact O-N 3.42Å; N308-S311 PolarHBondContact O-N 3.05Å; N308-A312 VanDerWaalsContact O-CB 3.24Å; N308-A312 WeakPolarHBondContact O-CB 3.4Å; N308-A312 PolarHBondContact O-N 2.88Å |
| 309 | A | 94.9 | Very high | 89.3 | Confident | 21 Ų | 21 | 81.1 Ų | 81.1 | 17% | 0.174 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L180 L305 L306 A312 F313 | L180-A309 HydrophobicContact CD1-CB 3.97Å; L305-A309 WeakPolarHBondContact O-CB 3.46Å; L305-A309 PolarHBondContact O-N 3.29Å; L306-A309 PolarHBondContact O-N 3.38Å; A309-A312 PolarHBondContact O-N 2.9Å; A309-F313 PolarHBondContact O-N 3.21Å; A309-F313 VanDerWaalsContact O-N 3.07Å |
| 310 | T | 94.2 | Very high | 87.9 | Confident | 49 Ų | 49 | 85.6 Ų | 85.6 | 30% | 0.301 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.7 | -47.9 | 178 | -56.3 | 0 | 0 | 0 | 0 | 111 | L306 Q307 A312 F313 F314 | L306-T310 VanDerWaalsContact O-CB 3.28Å; L306-T310 WeakPolarHBondContact O-CB 3.41Å; L306-T310 PolarHBondContact O-N 2.84Å; L306-T310 PolarHBondContact O-OG1 2.98Å; Q307-T310 PolarHBondContact O-N 3.25Å; T310-A312 PolarHBondContact O-N 3.23Å; T310-F313 PolarHBondContact O-N 3.29Å; T310-F314 HydrophobicContact CG2-CD2 3.78Å; T310-F314 HydrophobicContact CG2-CE2 3.85Å; T310-F314 WeakPolarHBondContact O-CD2 3.38Å; T310-F314 PolarHBondContact O-N 3.41Å; T310-F314 VanDerWaalsContact O-N 3.15Å |
| 311 | S | 92.6 | Very high | 86.6 | Confident | 62 Ų | 62 | 80.2 Ų | 80.2 | 43% | 0.434 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 178.1 | -57 | 0 | 0 | 0 | 0 | 111.4 | Q307 N308 F313 F314 S315 | Q307-S311 VanDerWaalsContact O-CB 3.28Å; Q307-S311 WeakPolarHBondContact O-CB 3.3Å; Q307-S311 PolarHBondContact O-N 2.99Å; Q307-S311 PolarHBondContact O-OG 3.07Å; N308-S311 PolarHBondContact O-N 3.05Å; S311-F313 VanDerWaalsContact C-N 3.26Å; S311-F313 PolarHBondContact O-N 3.37Å; S311-F314 PolarHBondContact O-N 3.46Å; S311-S315 WeakPolarHBondContact O-CA 3.49Å; S311-S315 WeakPolarHBondContact O-CB 3.46Å; S311-S315 PolarHBondContact O-N 2.98Å; S311-S315 PolarHBondContact O-OG 3.11Å |
| 312 | A | 90 | Very high | 85.4 | Confident | 75 Ų | 75 | 79.1 Ų | 79.1 | 62% | 0.62 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -63.5 | -31.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | N308 A309 T310 | N308-A312 VanDerWaalsContact O-CB 3.24Å; N308-A312 WeakPolarHBondContact O-CB 3.4Å; N308-A312 PolarHBondContact O-N 2.88Å; A309-A312 PolarHBondContact O-N 2.9Å; T310-A312 PolarHBondContact O-N 3.23Å |
| 313 | F | 91.3 | Very high | 84.4 | Confident | 45 Ų | 45 | 84.3 Ų | 84.3 | 20% | 0.197 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -73.8 | -37.5 | 176 | -178.8 | -101 | 0 | 0 | 0 | 112.7 | F135 N176 L180 A309 T310 S311 | F135-F313 HydrophobicContact CE2-CE1 4.38Å; F135-F313 HydrophobicContact CE2-CZ 4.3Å; F135-F313 HydrophobicContact CZ-CE1 4.18Å; F135-F313 HydrophobicContact CZ-CE2 4.28Å; F135-F313 AromaticContact CZ-CZ 3.88Å; F135-F313 HydrophobicContact CZ-CZ 3.88Å; N176-F313 HydrophobicContact CB-CD2 4.15Å; N176-F313 HydrophobicContact CB-CE2 4.25Å; L180-F313 HydrophobicContact CB-CB 4.41Å; L180-F313 HydrophobicContact CB-CD2 4.18Å; L180-F313 HydrophobicContact CB-CG 4.31Å; L180-F313 HydrophobicContact CD2-CB 3.78Å; L180-F313 HydrophobicContact CD2-CD1 3.56Å; L180-F313 HydrophobicContact CD2-CD2 4.09Å; L180-F313 HydrophobicContact CD2-CE1 4.14Å; L180-F313 HydrophobicContact CD2-CG 3.53Å; L180-F313 HydrophobicContact CG-CG 4.49Å; A309-F313 PolarHBondContact O-N 3.21Å; A309-F313 VanDerWaalsContact O-N 3.07Å; T310-F313 PolarHBondContact O-N 3.29Å; S311-F313 VanDerWaalsContact C-N 3.26Å; S311-F313 PolarHBondContact O-N 3.37Å |
| 314 | F | 88.5 | Confident | 83.4 | Confident | 107 Ų | 107 | 83.1 Ų | 83.1 | 47% | 0.469 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -99.8 | -12.7 | -174.1 | -67.7 | -67.8 | 0 | 0 | 0 | 115.5 | T310 S311 G316 | T310-F314 HydrophobicContact CG2-CD2 3.78Å; T310-F314 HydrophobicContact CG2-CE2 3.85Å; T310-F314 WeakPolarHBondContact O-CD2 3.38Å; T310-F314 PolarHBondContact O-N 3.41Å; T310-F314 VanDerWaalsContact O-N 3.15Å; S311-F314 PolarHBondContact O-N 3.46Å; F314-G316 PolarHBondContact O-N 3.28Å |
| 315 | S | 81.1 | Confident | 82.2 | Confident | 99 Ų | 99 | 81.3 Ų | 81.3 | 69% | 0.692 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -20.3 | -167.8 | 56 | 0 | 0 | 0 | 0 | 115.9 | S311 | S311-S315 WeakPolarHBondContact O-CA 3.49Å; S311-S315 WeakPolarHBondContact O-CB 3.46Å; S311-S315 PolarHBondContact O-N 2.98Å; S311-S315 PolarHBondContact O-OG 3.11Å |
| 316 | G | 65 | Low | 81 | Confident | 59 Ų | 59 | 83.9 Ų | 83.9 | 61% | 0.608 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -21.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | F314 | F314-G316 PolarHBondContact O-N 3.28Š|
| 317 | N | 67.3 | Low | 80 | Confident | 95 Ų | 95 | 89.4 Ų | 89.4 | 51% | 0.508 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | -12.2 | -154.9 | -66.9 | -17 | 0 | 0 | 0 | 116.2 | Q320 L321 | N317-Q320 PolarHBondContact O-N 3.24Å; N317-L321 WeakPolarHBondContact O-CB 3.48Å; N317-L321 PolarHBondContact O-N 3.04Å |
| 318 | N | 69 | Low | 79 | Confident | 107 Ų | 107 | 91.7 Ų | 91.7 | 57% | 0.572 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.7 | -51.7 | -169.8 | -77 | -33.1 | 0 | 0 | 0 | 113.5 | Q320 L321 D322 | N318-Q320 VanDerWaalsContact C-N 3.35Å; N318-Q320 PolarHBondContact O-N 3.35Å; N318-L321 PolarHBondContact O-N 2.99Å; N318-D322 PolarHBondContact O-N 3.33Å |
| 319 | Q | 70.9 | Confident | 77.8 | Confident | 162 Ų | 162 | 96.2 Ų | 96.2 | 76% | 0.757 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.9 | -37.6 | -177.4 | -68.4 | -179.1 | -15.2 | 0 | 0 | 112.6 | L321 D322 Q323 | Q319-L321 VanDerWaalsContact C-N 3.34Å; Q319-D322 PolarHBondContact O-N 3.34Å; Q319-Q323 WeakPolarHBondContact O-CG 3.49Å; Q319-Q323 PolarHBondContact O-N 3.08Å |
| 320 | Q | 68.8 | Low | 76.6 | Confident | 107 Ų | 107 | 99.4 Ų | 99.4 | 50% | 0.5 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.5 | -36.3 | 177.2 | -169.3 | 172 | 9 | 0 | 0 | 111.1 | N317 N318 Q323 I324 | N317-Q320 PolarHBondContact O-N 3.24Å; N318-Q320 VanDerWaalsContact C-N 3.35Å; N318-Q320 PolarHBondContact O-N 3.35Å; Q320-Q323 PolarHBondContact O-N 3.18Å; Q320-I324 HydrophobicContact CG-CD1 4.11Å; Q320-I324 WeakPolarHBondContact O-CD1 3.4Å; Q320-I324 VanDerWaalsContact O-CG1 3.25Å; Q320-I324 WeakPolarHBondContact O-CG1 3.33Å; Q320-I324 PolarHBondContact O-N 3.29Å |
| 321 | L | 69.4 | Low | 75.3 | Confident | 86 Ų | 86 | 106.4 Ų | 106.4 | 45% | 0.45 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 175.7 | -172.8 | 62.1 | 0 | 0 | 0 | 111.6 | N317 N318 Q319 Q323 I324 L325 | N317-L321 WeakPolarHBondContact O-CB 3.48Å; N317-L321 PolarHBondContact O-N 3.04Å; N318-L321 PolarHBondContact O-N 2.99Å; Q319-L321 VanDerWaalsContact C-N 3.34Å; L321-Q323 VanDerWaalsContact C-N 3.31Å; L321-Q323 PolarHBondContact O-N 3.37Å; L321-I324 PolarHBondContact O-N 3.25Å; L321-I324 VanDerWaalsContact O-N 3.15Å; L321-L325 HydrophobicContact CG-CD1 4.28Å; L321-L325 HydrophobicContact CG-CG 4.45Å; L321-L325 VanDerWaalsContact O-CG 3.31Å; L321-L325 WeakPolarHBondContact O-CG 3.44Å; L321-L325 PolarHBondContact O-N 2.91Å |
| 322 | D | 74 | Confident | 73.8 | Confident | 91 Ų | 91 | 109 Ų | 109 | 49% | 0.487 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.3 | -40.4 | 175.7 | -70.6 | -31.8 | 0 | 0 | 0 | 112.1 | N318 Q319 L325 N326 | N318-D322 PolarHBondContact O-N 3.33Å; Q319-D322 PolarHBondContact O-N 3.34Å; D322-L325 PolarHBondContact O-N 3.38Å; D322-N326 PolarHBondContact O-N 3.28Å; D322-N326 VanDerWaalsContact O-N 3.17Å; D322-N326 PolarHBondContact O-ND2 3.03Å; D322-N326 VanDerWaalsContact O-ND2 3.12Å |
| 323 | Q | 75.5 | Confident | 72.7 | Confident | 126 Ų | 126 | 111 Ų | 111 | 59% | 0.589 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.3 | -41.4 | 174.7 | -68.9 | 175.9 | 3.9 | 0 | 0 | 111.9 | Q319 Q320 L321 N326 Q327 | Q319-Q323 WeakPolarHBondContact O-CG 3.49Å; Q319-Q323 PolarHBondContact O-N 3.08Å; Q320-Q323 PolarHBondContact O-N 3.18Å; L321-Q323 VanDerWaalsContact C-N 3.31Å; L321-Q323 PolarHBondContact O-N 3.37Å; Q323-N326 PolarHBondContact O-N 3.19Å; Q323-Q327 WeakPolarHBondContact O-CG 3.27Å; Q323-Q327 PolarHBondContact O-N 3.36Å |
| 324 | I | 76.1 | Confident | 70.8 | Confident | 60 Ų | 60 | 115.3 Ų | 115.3 | 31% | 0.308 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66 | -43.1 | 177.5 | -69.9 | 165.8 | 0 | 0 | 0 | 111 | Q320 L321 N326 Q327 Y328 | Q320-I324 HydrophobicContact CG-CD1 4.11Å; Q320-I324 WeakPolarHBondContact O-CD1 3.4Å; Q320-I324 VanDerWaalsContact O-CG1 3.25Å; Q320-I324 WeakPolarHBondContact O-CG1 3.33Å; Q320-I324 PolarHBondContact O-N 3.29Å; L321-I324 PolarHBondContact O-N 3.25Å; L321-I324 VanDerWaalsContact O-N 3.15Å; I324-N326 VanDerWaalsContact C-N 3.27Å; I324-N326 PolarHBondContact O-N 2.92Å; I324-Q327 WeakPolarHBondContact O-CA 3.38Å; I324-Q327 WeakPolarHBondContact O-CB 3.42Å; I324-Q327 PolarHBondContact O-N 2.89Å; I324-Y328 HydrophobicContact CG2-CD2 3.54Å; I324-Y328 HydrophobicContact CG2-CE2 3.46Å; I324-Y328 VanDerWaalsContact CG2-CE2 3.46Å; I324-Y328 WeakPolarHBondContact O-CD2 3.11Å; I324-Y328 PolarHBondContact O-N 3.32Å |
| 325 | L | 72.3 | Confident | 69.1 | Low | 31 Ų | 31 | 115.3 Ų | 115.3 | 16% | 0.162 | 61% | 0.609 | C | S | . | * | H | α-helix | trans | -60.3 | -38.2 | 178 | -72.9 | 172.2 | 0 | 0 | 0 | 112 | L321 D322 Q327 Y328 K329 I330 L332 | L321-L325 HydrophobicContact CG-CD1 4.28Å; L321-L325 HydrophobicContact CG-CG 4.45Å; L321-L325 VanDerWaalsContact O-CG 3.31Å; L321-L325 WeakPolarHBondContact O-CG 3.44Å; L321-L325 PolarHBondContact O-N 2.91Å; D322-L325 PolarHBondContact O-N 3.38Å; L325-Q327 VanDerWaalsContact C-N 3.31Å; L325-Q327 PolarHBondContact O-N 3.09Å; L325-Y328 PolarHBondContact O-N 2.89Å; L325-K329 PolarHBondContact O-N 2.89Å; L325-K329 VanDerWaalsContact O-N 3.13Å; L325-I330 HydrophobicContact CD2-CB 4.15Å; L325-I330 HydrophobicContact CD2-CD1 4.34Å; L325-I330 HydrophobicContact CD2-CG2 4.21Å; L325-I330 PolarHBondContact O-N 3.19Å; L325-I330 VanDerWaalsContact O-N 3.1Å; L325-L332 HydrophobicContact CD1-CD1 3.82Å; L325-L332 HydrophobicContact CD1-CG 4.4Å |
| 326 | N | 72.6 | Confident | 67.6 | Low | 128 Ų | 128 | 118.3 Ų | 118.3 | 68% | 0.684 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -62.8 | -36.1 | 172.8 | -73.4 | -36.4 | 0 | 0 | 0 | 112.4 | D322 Q323 I324 K329 | D322-N326 PolarHBondContact O-N 3.28Å; D322-N326 VanDerWaalsContact O-N 3.17Å; D322-N326 PolarHBondContact O-ND2 3.03Å; D322-N326 VanDerWaalsContact O-ND2 3.12Å; Q323-N326 PolarHBondContact O-N 3.19Å; I324-N326 VanDerWaalsContact C-N 3.27Å; I324-N326 PolarHBondContact O-N 2.92Å; N326-K329 PolarHBondContact O-N 3.42Å |
| 327 | Q | 74.7 | Confident | 66.4 | Low | 154 Ų | 154 | 123.3 Ų | 123.3 | 72% | 0.72 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -70.4 | -41.2 | 176 | -67 | 177.1 | 11.8 | 0 | 0 | 112.4 | Q323 I324 L325 K329 | Q323-Q327 WeakPolarHBondContact O-CG 3.27Å; Q323-Q327 PolarHBondContact O-N 3.36Å; I324-Q327 WeakPolarHBondContact O-CA 3.38Å; I324-Q327 WeakPolarHBondContact O-CB 3.42Å; I324-Q327 PolarHBondContact O-N 2.89Å; L325-Q327 VanDerWaalsContact C-N 3.31Å; L325-Q327 PolarHBondContact O-N 3.09Å; Q327-K329 PolarHBondContact O-N 3.38Å |
| 328 | Y | 75.2 | Confident | 65.2 | Low | 171 Ų | 171 | 122.2 Ų | 122.2 | 67% | 0.671 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -4.8 | 173.7 | -77.2 | -77.5 | 0 | 0 | 0 | 113.4 | I324 L325 I330 | I324-Y328 HydrophobicContact CG2-CD2 3.54Å; I324-Y328 HydrophobicContact CG2-CE2 3.46Å; I324-Y328 VanDerWaalsContact CG2-CE2 3.46Å; I324-Y328 WeakPolarHBondContact O-CD2 3.11Å; I324-Y328 PolarHBondContact O-N 3.32Å; L325-Y328 PolarHBondContact O-N 2.89Å; Y328-I330 HydrophobicContact CG-CD1 4.22Å; Y328-I330 PolarHBondContact O-N 3.12Å |
| 329 | K | 71.2 | Confident | 63.8 | Low | 186 Ų | 186 | 123.9 Ų | 123.9 | 81% | 0.809 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 54.4 | 28.7 | -173.4 | -57.4 | 178.2 | -178.9 | 176.5 | 0 | 112.7 | L325 N326 Q327 K331 | L325-K329 PolarHBondContact O-N 2.89Å; L325-K329 VanDerWaalsContact O-N 3.13Å; N326-K329 PolarHBondContact O-N 3.42Å; Q327-K329 PolarHBondContact O-N 3.38Å; K329-K331 PolarHBondContact O-N 2.84Å |
| 330 | I | 68.8 | Low | 62.2 | Low | 88 Ų | 88 | 121.3 Ų | 121.3 | 45% | 0.451 | 65% | 0.65 | S | S | . | * | trans | -84 | 111.7 | 177.9 | -64.4 | 168 | 0 | 0 | 0 | 107.5 | L325 Y328 | L325-I330 HydrophobicContact CD2-CB 4.15Å; L325-I330 HydrophobicContact CD2-CD1 4.34Å; L325-I330 HydrophobicContact CD2-CG2 4.21Å; L325-I330 PolarHBondContact O-N 3.19Å; L325-I330 VanDerWaalsContact O-N 3.1Å; Y328-I330 HydrophobicContact CG-CD1 4.22Å; Y328-I330 PolarHBondContact O-N 3.12Å | ||
| 331 | K | 66.4 | Low | 60.7 | Low | 196 Ų | 196 | 129 Ų | 129 | 85% | 0.852 | 69% | 0.685 | S | S | * | * | trans | -87.4 | 114.2 | 169.5 | -66.4 | -175.1 | -179.8 | -177.4 | 0 | 108.5 | K329 | K329-K331 PolarHBondContact O-N 2.84Š| ||
| 332 | L | 62 | Low | 60.2 | Low | 116 Ų | 116 | 131.1 Ų | 131.1 | 61% | 0.607 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 132.5 | 168 | -69.6 | 168 | 0 | 0 | 0 | 108.4 | L325 N334 | L325-L332 HydrophobicContact CD1-CD1 3.82Å; L325-L332 HydrophobicContact CD1-CG 4.4Å; L332-N334 PolarHBondContact O-N 3.46Å |
| 333 | P | 67 | Low | 59.5 | Low | 116 Ų | 116 | 133.2 Ų | 133.2 | 75% | 0.753 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 126.6 | 168.7 | 23.4 | -29.1 | 0 | 0 | 0 | 108.7 | A335 | P333-A335 PolarHBondContact O-N 3.27Å; P333-A335 VanDerWaalsContact O-N 3.16Å |
| 334 | N | 50.3 | Low | 58.6 | Low | 136 Ų | 136 | 133.6 Ų | 133.6 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 122 | 176 | -81.2 | 3 | 0 | 0 | 0 | 109.6 | L332 E336 | L332-N334 PolarHBondContact O-N 3.46Å; N334-E336 PolarHBondContact O-N 3.3Å |
| 335 | A | 54.3 | Low | 57.6 | Low | 107 Ų | 107 | 137.9 Ų | 137.9 | 88% | 0.884 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -75 | 33.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | P333 | P333-A335 PolarHBondContact O-N 3.27Å; P333-A335 VanDerWaalsContact O-N 3.16Å |
| 336 | E | 48.1 | Very low | 56.7 | Low | 162 Ų | 162 | 144.6 Ų | 144.6 | 76% | 0.757 | 77% | 0.774 | S | S | * | * | trans | -97.3 | 4.6 | -173.5 | -77.6 | -166.4 | 149.1 | 0 | 0 | 115.5 | N334 | N334-E336 PolarHBondContact O-N 3.3Š| ||
| 337 | N | 40.5 | Very low | 55.6 | Low | 165 Ų | 165 | 145.7 Ų | 145.7 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | trans | -119.1 | 86.7 | 176.9 | -70.7 | -31.3 | 0 | 0 | 0 | 111.4 | ||||
| 338 | G | 41.2 | Very low | 54.3 | Low | 71 Ų | 71 | 145.1 Ų | 145.1 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -160.9 | -2.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 339 | V | 40.4 | Very low | 52.6 | Low | 142 Ų | 142 | 143.2 Ų | 143.2 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | -132.1 | 91.9 | 170.5 | -171 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 340 | S | 37.4 | Very low | 51.1 | Low | 109 Ų | 109 | 139.6 Ų | 139.6 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | -132.4 | 118.8 | 164.5 | -56.6 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 341 | H | 37 | Very low | 49.5 | Very low | 267 Ų | 267 | 144.3 Ų | 144.3 | 100% | 1.236 | 82% | 0.823 | S | S | * | * | trans | 85.1 | 0 | -173.3 | -70.3 | -68.7 | 0 | 0 | 0 | 118.5 |
Retrieved 341 of 341 residues in 620.4 ms
(Link to these results)